NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
490094 | 2l4c | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLU 1 H GLU 1 12.272 -18.892 8.631 2 HA GLU 1 HA GLU 1 13.885 -21.146 9.226 3 HB2 GLU 1 2HB GLU 1 15.047 -19.406 7.042 4 HB3 GLU 1 1HB GLU 1 15.883 -20.709 7.876 5 HG2 GLU 1 2HG GLU 1 13.452 -21.014 6.127 6 HG3 GLU 1 1HG GLU 1 15.112 -21.390 5.669 7 H VAL 2 H VAL 2 13.424 -17.739 8.962 8 HA VAL 2 HA VAL 2 15.163 -17.355 11.298 9 HB VAL 2 HB VAL 2 16.387 -16.491 9.384 10 HG11 VAL 2 1HG1 VAL 2 15.527 -14.662 8.021 11 HG12 VAL 2 2HG1 VAL 2 13.992 -14.726 8.887 12 HG13 VAL 2 3HG1 VAL 2 14.498 -16.088 7.887 13 HG21 VAL 2 3HG2 VAL 2 16.595 -15.307 11.505 14 HG22 VAL 2 1HG2 VAL 2 15.232 -14.274 11.074 15 HG23 VAL 2 2HG2 VAL 2 16.731 -14.190 10.146 16 H GLU 3 H GLU 3 14.281 -16.216 12.920 17 HA GLU 3 HA GLU 3 11.898 -14.589 12.389 18 HB2 GLU 3 2HB GLU 3 12.138 -16.715 14.524 19 HB3 GLU 3 1HB GLU 3 10.848 -15.523 14.459 20 HG2 GLU 3 2HG GLU 3 11.425 -17.482 12.252 21 HG3 GLU 3 1HG GLU 3 10.268 -17.772 13.549 22 H LYS 4 H LYS 4 14.923 -14.794 13.652 23 HA LYS 4 HA LYS 4 14.411 -12.871 15.811 24 HB2 LYS 4 2HB LYS 4 16.893 -14.475 15.173 25 HB3 LYS 4 1HB LYS 4 16.728 -13.362 16.524 26 HG2 LYS 4 2HG LYS 4 14.970 -14.748 17.473 27 HG3 LYS 4 1HG LYS 4 15.087 -15.852 16.102 28 HD2 LYS 4 2HD LYS 4 17.393 -16.375 16.709 29 HD3 LYS 4 1HD LYS 4 17.300 -15.247 18.064 30 HE2 LYS 4 2HE LYS 4 15.614 -17.723 17.708 31 HE3 LYS 4 1HE LYS 4 16.992 -17.564 18.794 32 HZ1 LYS 4 3HZ LYS 4 14.468 -16.007 18.953 33 HZ2 LYS 4 1HZ LYS 4 15.795 -15.828 19.988 34 HZ3 LYS 4 2HZ LYS 4 14.917 -17.274 19.981 35 H SER 5 H SER 5 16.928 -11.685 15.916 36 HA SER 5 HA SER 5 16.655 -9.538 14.165 37 HB2 SER 5 2HB SER 5 18.911 -8.874 14.902 38 HB3 SER 5 1HB SER 5 17.914 -9.391 16.261 39 HG SER 5 HG SER 5 19.683 -10.536 16.613 40 H SER 6 H SER 6 18.289 -8.789 12.566 41 HA SER 6 HA SER 6 19.243 -9.014 10.516 42 HB2 SER 6 2HB SER 6 20.423 -11.485 11.810 43 HB3 SER 6 1HB SER 6 20.988 -10.766 10.303 44 HG SER 6 HG SER 6 20.975 -9.546 12.866 45 H ASP 7 H ASP 7 17.067 -9.389 9.670 46 HA ASP 7 HA ASP 7 16.362 -12.132 9.033 47 HB2 ASP 7 2HB ASP 7 14.578 -10.603 9.695 48 HB3 ASP 7 1HB ASP 7 14.986 -9.520 8.366 49 H GLY 8 H GLY 8 17.991 -9.484 7.582 50 HA2 GLY 8 2HA GLY 8 19.397 -10.135 5.652 51 HA3 GLY 8 1HA GLY 8 17.965 -10.907 4.991 52 HA PRO 9 HA PRO 9 18.500 -6.225 3.823 53 HB2 PRO 9 2HB PRO 9 19.434 -7.305 1.230 54 HB3 PRO 9 1HB PRO 9 20.046 -5.938 2.166 55 HG2 PRO 9 2HG PRO 9 21.410 -8.230 2.022 56 HG3 PRO 9 1HG PRO 9 21.359 -7.282 3.519 57 HD2 PRO 9 2HD PRO 9 19.854 -9.767 2.798 58 HD3 PRO 9 1HD PRO 9 20.605 -9.311 4.342 59 H GLY 10 H GLY 10 16.643 -5.386 3.122 60 HA2 GLY 10 2HA GLY 10 15.060 -5.147 1.276 61 HA3 GLY 10 1HA GLY 10 15.097 -6.895 1.109 62 H ALA 11 H ALA 11 13.677 -4.211 2.719 63 HA ALA 11 HA ALA 11 11.464 -5.755 3.607 64 HB1 ALA 11 1HB ALA 11 13.062 -6.392 5.361 65 HB2 ALA 11 2HB ALA 11 11.707 -5.465 6.008 66 HB3 ALA 11 3HB ALA 11 13.274 -4.690 5.772 67 H ALA 12 H ALA 12 13.001 -2.941 5.122 68 HA ALA 12 HA ALA 12 12.384 -0.768 5.319 69 HB1 ALA 12 1HB ALA 12 10.771 -1.151 2.807 70 HB2 ALA 12 2HB ALA 12 12.520 -0.921 2.818 71 HB3 ALA 12 3HB ALA 12 11.461 0.347 3.437 72 H GLN 13 H GLN 13 9.394 -1.827 3.742 73 HA GLN 13 HA GLN 13 7.925 -2.049 6.184 74 HB2 GLN 13 2HB GLN 13 6.430 -0.120 5.794 75 HB3 GLN 13 1HB GLN 13 8.085 0.369 6.134 76 HG2 GLN 13 2HG GLN 13 8.452 0.654 3.704 77 HG3 GLN 13 1HG GLN 13 6.747 0.287 3.440 78 HE21 GLN 13 1HE2 GLN 13 9.034 2.597 4.656 79 HE22 GLN 13 2HE2 GLN 13 7.936 3.925 4.787 80 H GLU 14 H GLU 14 5.951 -3.024 5.888 81 HA GLU 14 HA GLU 14 5.090 -3.469 3.111 82 HB2 GLU 14 2HB GLU 14 4.669 -5.788 3.540 83 HB3 GLU 14 1HB GLU 14 6.322 -5.444 4.027 84 HG2 GLU 14 2HG GLU 14 5.583 -5.309 6.365 85 HG3 GLU 14 1HG GLU 14 3.946 -5.713 5.850 86 HA PRO 15 HA PRO 15 1.027 -2.382 4.386 87 HB2 PRO 15 2HB PRO 15 -0.531 -4.177 3.040 88 HB3 PRO 15 1HB PRO 15 0.244 -2.783 2.284 89 HG2 PRO 15 2HG PRO 15 1.095 -5.645 2.311 90 HG3 PRO 15 1HG PRO 15 1.149 -4.467 0.985 91 HD2 PRO 15 2HD PRO 15 3.335 -5.135 2.437 92 HD3 PRO 15 1HD PRO 15 3.105 -3.520 1.737 93 H THR 16 H THR 16 -0.491 -2.801 5.921 94 HA THR 16 HA THR 16 0.023 -4.782 7.847 95 HB THR 16 HB THR 16 -2.571 -3.274 7.482 96 HG1 THR 16 1HG THR 16 -1.556 -1.556 8.205 97 HG21 THR 16 3HG2 THR 16 -1.260 -4.497 9.912 98 HG22 THR 16 1HG2 THR 16 -2.713 -5.081 9.104 99 HG23 THR 16 2HG2 THR 16 -2.730 -3.524 9.929 100 H TRP 17 H TRP 17 -1.262 -6.537 8.546 101 HA TRP 17 HA TRP 17 -2.536 -7.977 6.342 102 HB2 TRP 17 2HB TRP 17 -1.598 -8.922 9.057 103 HB3 TRP 17 1HB TRP 17 -2.316 -9.956 7.826 104 HD1 TRP 17 HD TRP 17 -0.828 -9.882 5.368 105 HE1 TRP 17 1HE TRP 17 1.730 -10.052 5.127 106 HE3 TRP 17 3HE TRP 17 0.527 -8.530 10.108 107 HZ2 TRP 17 2HZ TRP 17 4.019 -9.665 6.736 108 HZ3 TRP 17 3HZ TRP 17 2.920 -8.456 10.677 109 HH2 TRP 17 HH TRP 17 4.628 -9.014 9.024 110 H LEU 18 H LEU 18 -4.583 -7.073 6.280 111 HA LEU 18 HA LEU 18 -6.200 -7.042 8.711 112 HB2 LEU 18 2HB LEU 18 -6.968 -6.222 5.911 113 HB3 LEU 18 1HB LEU 18 -7.834 -5.855 7.391 114 HG LEU 18 HG LEU 18 -5.072 -4.839 6.738 115 HD11 LEU 18 1HD1 LEU 18 -6.186 -2.673 6.397 116 HD12 LEU 18 2HD1 LEU 18 -7.748 -3.478 6.539 117 HD13 LEU 18 3HD1 LEU 18 -6.666 -3.883 5.209 118 HD21 LEU 18 3HD2 LEU 18 -5.509 -3.298 8.620 119 HD22 LEU 18 1HD2 LEU 18 -5.433 -4.991 9.113 120 HD23 LEU 18 2HD2 LEU 18 -6.994 -4.185 8.964 121 H THR 19 H THR 19 -6.001 -9.458 8.767 122 HA THR 19 HA THR 19 -7.341 -11.026 6.795 123 HB THR 19 HB THR 19 -7.043 -12.900 8.306 124 HG1 THR 19 1HG THR 19 -6.181 -10.954 10.205 125 HG21 THR 19 3HG2 THR 19 -5.095 -12.103 7.011 126 HG22 THR 19 1HG2 THR 19 -4.625 -12.851 8.538 127 HG23 THR 19 2HG2 THR 19 -4.623 -11.095 8.379 128 H ASP 20 H ASP 20 -8.616 -8.923 8.978 129 HA ASP 20 HA ASP 20 -11.168 -10.357 8.945 130 HB2 ASP 20 2HB ASP 20 -9.837 -9.214 11.398 131 HB3 ASP 20 1HB ASP 20 -11.568 -9.527 11.322 132 H VAL 21 H VAL 21 -13.001 -9.080 8.942 133 HA VAL 21 HA VAL 21 -12.842 -6.635 7.622 134 HB VAL 21 HB VAL 21 -15.150 -7.606 9.314 135 HG11 VAL 21 1HG1 VAL 21 -16.517 -6.233 7.802 136 HG12 VAL 21 2HG1 VAL 21 -15.049 -5.656 7.014 137 HG13 VAL 21 3HG1 VAL 21 -15.354 -5.264 8.707 138 HG21 VAL 21 3HG2 VAL 21 -16.018 -8.557 7.214 139 HG22 VAL 21 1HG2 VAL 21 -14.502 -9.308 7.713 140 HG23 VAL 21 2HG2 VAL 21 -14.510 -8.119 6.411 141 HA PRO 22 HA PRO 22 -13.799 -4.520 11.947 142 HB2 PRO 22 2HB PRO 22 -12.603 -5.877 14.041 143 HB3 PRO 22 1HB PRO 22 -14.325 -5.939 13.654 144 HG2 PRO 22 2HG PRO 22 -12.152 -7.867 12.952 145 HG3 PRO 22 1HG PRO 22 -13.815 -8.193 13.478 146 HD2 PRO 22 2HD PRO 22 -13.111 -8.400 10.908 147 HD3 PRO 22 1HD PRO 22 -14.697 -7.752 11.374 148 H ALA 23 H ALA 23 -10.863 -6.535 11.765 149 HA ALA 23 HA ALA 23 -9.119 -4.584 12.809 150 HB1 ALA 23 1HB ALA 23 -8.565 -6.992 12.690 151 HB2 ALA 23 2HB ALA 23 -7.315 -5.973 11.976 152 HB3 ALA 23 3HB ALA 23 -8.436 -6.853 10.937 153 H ALA 24 H ALA 24 -10.268 -5.312 9.608 154 HA ALA 24 HA ALA 24 -8.482 -3.693 8.140 155 HB1 ALA 24 1HB ALA 24 -10.232 -3.763 6.368 156 HB2 ALA 24 2HB ALA 24 -11.309 -4.563 7.514 157 HB3 ALA 24 3HB ALA 24 -9.817 -5.355 7.009 158 H MET 25 H MET 25 -11.864 -3.074 9.065 159 HA MET 25 HA MET 25 -11.916 -0.373 8.343 160 HB2 MET 25 2HB MET 25 -13.563 -1.690 10.506 161 HB3 MET 25 1HB MET 25 -13.967 -0.231 9.613 162 HG2 MET 25 2HG MET 25 -14.021 -1.608 7.536 163 HG3 MET 25 1HG MET 25 -13.817 -3.036 8.545 164 HE1 MET 25 3HE MET 25 -17.082 -2.921 10.732 165 HE2 MET 25 1HE MET 25 -15.510 -2.220 11.116 166 HE3 MET 25 2HE MET 25 -15.606 -3.819 10.379 167 H GLU 26 H GLU 26 -10.658 -1.958 11.171 168 HA GLU 26 HA GLU 26 -10.675 0.337 12.864 169 HB2 GLU 26 2HB GLU 26 -9.372 -2.349 12.962 170 HB3 GLU 26 1HB GLU 26 -8.788 -1.083 14.035 171 HG2 GLU 26 2HG GLU 26 -11.176 -0.790 14.786 172 HG3 GLU 26 1HG GLU 26 -11.535 -2.278 13.910 173 H PHE 27 H PHE 27 -8.115 -1.265 10.971 174 HA PHE 27 HA PHE 27 -6.125 0.622 11.542 175 HB2 PHE 27 2HB PHE 27 -6.495 -1.489 9.483 176 HB3 PHE 27 1HB PHE 27 -5.302 -0.240 9.141 177 HD1 PHE 27 1HD PHE 27 -6.173 -3.052 11.304 178 HD2 PHE 27 2HD PHE 27 -3.300 -0.025 10.475 179 HE1 PHE 27 1HE PHE 27 -4.545 -4.211 12.737 180 HE2 PHE 27 2HE PHE 27 -1.665 -1.180 11.905 181 HZ PHE 27 HZ PHE 27 -2.286 -3.276 13.038 182 H ILE 28 H ILE 28 -8.742 0.582 9.244 183 HA ILE 28 HA ILE 28 -7.824 2.844 7.730 184 HB ILE 28 HB ILE 28 -10.469 1.418 7.923 185 HG12 ILE 28 2HG1 ILE 28 -8.696 1.863 5.520 186 HG13 ILE 28 1HG1 ILE 28 -8.487 0.494 6.613 187 HG21 ILE 28 1HG2 ILE 28 -11.059 3.725 7.628 188 HG22 ILE 28 2HG2 ILE 28 -11.272 2.889 6.092 189 HG23 ILE 28 3HG2 ILE 28 -9.862 3.912 6.349 190 HD11 ILE 28 3HD1 ILE 28 -9.834 0.131 4.486 191 HD12 ILE 28 1HD1 ILE 28 -11.109 1.054 5.279 192 HD13 ILE 28 2HD1 ILE 28 -10.531 -0.452 5.999 193 H ALA 29 H ALA 29 -9.930 2.309 10.487 194 HA ALA 29 HA ALA 29 -10.888 5.000 10.626 195 HB1 ALA 29 1HB ALA 29 -11.816 4.305 12.803 196 HB2 ALA 29 2HB ALA 29 -10.965 2.765 12.654 197 HB3 ALA 29 3HB ALA 29 -12.233 3.190 11.501 198 H ALA 30 H ALA 30 -8.053 3.382 11.649 199 HA ALA 30 HA ALA 30 -7.425 5.385 13.681 200 HB1 ALA 30 1HB ALA 30 -5.880 2.945 12.817 201 HB2 ALA 30 2HB ALA 30 -6.974 3.041 14.197 202 HB3 ALA 30 3HB ALA 30 -5.488 3.990 14.182 203 H THR 31 H THR 31 -7.580 6.044 10.807 204 HA THR 31 HA THR 31 -5.253 7.662 10.637 205 HB THR 31 HB THR 31 -4.187 5.561 9.980 206 HG1 THR 31 1HG THR 31 -4.506 7.059 7.599 207 HG21 THR 31 3HG2 THR 31 -4.931 4.179 8.292 208 HG22 THR 31 1HG2 THR 31 -5.865 5.455 7.513 209 HG23 THR 31 2HG2 THR 31 -6.453 4.714 9.001 210 H GLU 32 H GLU 32 -5.298 9.115 8.857 211 HA GLU 32 HA GLU 32 -7.897 9.861 8.016 212 HB2 GLU 32 2HB GLU 32 -5.769 11.302 8.296 213 HB3 GLU 32 1HB GLU 32 -5.365 10.772 6.669 214 HG2 GLU 32 2HG GLU 32 -7.435 11.722 5.830 215 HG3 GLU 32 1HG GLU 32 -7.880 12.216 7.463 216 H VAL 33 H VAL 33 -5.133 8.924 5.954 217 HA VAL 33 HA VAL 33 -7.063 7.878 3.998 218 HB VAL 33 HB VAL 33 -4.162 8.529 3.500 219 HG11 VAL 33 1HG1 VAL 33 -4.891 8.579 1.138 220 HG12 VAL 33 2HG1 VAL 33 -6.493 8.036 1.649 221 HG13 VAL 33 3HG1 VAL 33 -5.085 6.994 1.887 222 HG21 VAL 33 3HG2 VAL 33 -6.611 10.233 3.092 223 HG22 VAL 33 1HG2 VAL 33 -5.019 10.593 2.423 224 HG23 VAL 33 2HG2 VAL 33 -5.253 10.562 4.171 225 H ALA 34 H ALA 34 -6.979 5.777 3.324 226 HA ALA 34 HA ALA 34 -4.789 4.084 4.272 227 HB1 ALA 34 1HB ALA 34 -7.702 3.601 4.853 228 HB2 ALA 34 2HB ALA 34 -6.396 3.835 6.016 229 HB3 ALA 34 3HB ALA 34 -6.450 2.371 5.028 230 H VAL 35 H VAL 35 -4.084 2.798 2.729 231 HA VAL 35 HA VAL 35 -5.920 2.101 0.536 232 HB VAL 35 HB VAL 35 -2.938 2.543 0.484 233 HG11 VAL 35 1HG1 VAL 35 -3.408 0.537 -0.816 234 HG12 VAL 35 2HG1 VAL 35 -3.031 1.882 -1.893 235 HG13 VAL 35 3HG1 VAL 35 -4.705 1.372 -1.672 236 HG21 VAL 35 3HG2 VAL 35 -5.292 3.795 -0.910 237 HG22 VAL 35 1HG2 VAL 35 -3.605 4.160 -1.284 238 HG23 VAL 35 2HG2 VAL 35 -4.257 4.537 0.312 239 H ILE 36 H ILE 36 -6.326 0.034 0.195 240 HA ILE 36 HA ILE 36 -4.597 -1.958 1.487 241 HB ILE 36 HB ILE 36 -7.606 -1.902 1.672 242 HG12 ILE 36 2HG1 ILE 36 -5.683 -1.746 3.971 243 HG13 ILE 36 1HG1 ILE 36 -6.101 -0.293 3.075 244 HG21 ILE 36 1HG2 ILE 36 -6.864 -4.177 1.557 245 HG22 ILE 36 2HG2 ILE 36 -7.243 -3.817 3.242 246 HG23 ILE 36 3HG2 ILE 36 -5.561 -3.867 2.707 247 HD11 ILE 36 3HD1 ILE 36 -7.482 -0.432 4.996 248 HD12 ILE 36 1HD1 ILE 36 -7.954 -2.087 4.602 249 HD13 ILE 36 2HD1 ILE 36 -8.480 -0.753 3.576 250 H GLY 37 H GLY 37 -4.275 -3.806 0.418 251 HA2 GLY 37 2HA GLY 37 -5.512 -4.031 -2.229 252 HA3 GLY 37 1HA GLY 37 -4.008 -4.787 -1.739 253 H PHE 38 H PHE 38 -7.444 -5.088 -1.893 254 HA PHE 38 HA PHE 38 -7.550 -7.497 -0.281 255 HB2 PHE 38 2HB PHE 38 -9.649 -6.190 -2.034 256 HB3 PHE 38 1HB PHE 38 -9.928 -7.556 -0.960 257 HD1 PHE 38 1HD PHE 38 -8.783 -6.995 1.507 258 HD2 PHE 38 2HD PHE 38 -10.534 -4.239 -1.214 259 HE1 PHE 38 1HE PHE 38 -9.250 -5.461 3.370 260 HE2 PHE 38 2HE PHE 38 -11.009 -2.701 0.646 261 HZ PHE 38 HZ PHE 38 -10.364 -3.309 2.940 262 H PHE 39 H PHE 39 -6.212 -8.960 -1.269 263 HA PHE 39 HA PHE 39 -6.863 -9.701 -4.043 264 HB2 PHE 39 2HB PHE 39 -4.322 -10.327 -2.546 265 HB3 PHE 39 1HB PHE 39 -4.619 -10.508 -4.272 266 HD1 PHE 39 2HD PHE 39 -5.834 -7.989 -5.025 267 HD2 PHE 39 1HD PHE 39 -2.661 -8.754 -2.295 268 HE1 PHE 39 2HE PHE 39 -4.962 -5.724 -5.412 269 HE2 PHE 39 1HE PHE 39 -1.785 -6.487 -2.675 270 HZ PHE 39 HZ PHE 39 -2.934 -4.969 -4.236 271 H GLN 40 H GLN 40 -7.261 -11.784 -4.600 272 HA GLN 40 HA GLN 40 -7.864 -13.633 -2.431 273 HB2 GLN 40 2HB GLN 40 -8.329 -13.881 -5.416 274 HB3 GLN 40 1HB GLN 40 -8.909 -15.007 -4.196 275 HG2 GLN 40 2HG GLN 40 -10.295 -13.250 -3.225 276 HG3 GLN 40 1HG GLN 40 -9.706 -12.114 -4.437 277 HE21 GLN 40 1HE2 GLN 40 -10.408 -12.295 -6.554 278 HE22 GLN 40 2HE2 GLN 40 -11.781 -13.245 -6.997 279 H ASP 41 H ASP 41 -5.327 -12.795 -4.323 280 HA ASP 41 HA ASP 41 -3.839 -15.205 -3.699 281 HB2 ASP 41 2HB ASP 41 -4.830 -15.619 -5.961 282 HB3 ASP 41 1HB ASP 41 -4.005 -14.173 -6.548 283 H LEU 42 H LEU 42 -1.949 -14.524 -2.868 284 HA LEU 42 HA LEU 42 -1.120 -11.783 -3.377 285 HB2 LEU 42 2HB LEU 42 -0.061 -13.830 -1.432 286 HB3 LEU 42 1HB LEU 42 0.510 -12.175 -1.556 287 HG LEU 42 HG LEU 42 -2.280 -13.018 -0.777 288 HD11 LEU 42 1HD1 LEU 42 -1.677 -12.173 1.431 289 HD12 LEU 42 2HD1 LEU 42 -0.040 -11.841 0.863 290 HD13 LEU 42 3HD1 LEU 42 -0.624 -13.504 0.948 291 HD21 LEU 42 3HD2 LEU 42 -1.005 -10.295 -1.017 292 HD22 LEU 42 1HD2 LEU 42 -2.540 -10.608 -0.207 293 HD23 LEU 42 2HD2 LEU 42 -2.377 -10.917 -1.935 294 H GLU 43 H GLU 43 -0.830 -13.284 -5.615 295 HA GLU 43 HA GLU 43 2.087 -13.317 -5.908 296 HB2 GLU 43 2HB GLU 43 0.249 -15.413 -7.076 297 HB3 GLU 43 1HB GLU 43 1.988 -15.318 -7.305 298 HG2 GLU 43 2HG GLU 43 2.310 -15.684 -4.910 299 HG3 GLU 43 1HG GLU 43 0.565 -15.818 -4.707 300 H ILE 44 H ILE 44 -0.557 -11.798 -6.679 301 HA ILE 44 HA ILE 44 -0.235 -11.640 -9.569 302 HB ILE 44 HB ILE 44 -2.067 -9.848 -9.286 303 HG12 ILE 44 2HG1 ILE 44 -2.663 -11.247 -6.722 304 HG13 ILE 44 1HG1 ILE 44 -1.540 -9.897 -6.717 305 HG21 ILE 44 1HG2 ILE 44 -2.370 -12.159 -10.158 306 HG22 ILE 44 2HG2 ILE 44 -3.789 -11.511 -9.335 307 HG23 ILE 44 3HG2 ILE 44 -2.753 -12.681 -8.515 308 HD11 ILE 44 3HD1 ILE 44 -4.451 -9.942 -7.277 309 HD12 ILE 44 1HD1 ILE 44 -3.447 -8.681 -7.991 310 HD13 ILE 44 2HD1 ILE 44 -3.515 -8.866 -6.239 311 HA PRO 45 HA PRO 45 2.342 -8.071 -9.931 312 HB2 PRO 45 2HB PRO 45 0.064 -6.811 -11.401 313 HB3 PRO 45 1HB PRO 45 1.762 -6.934 -11.865 314 HG2 PRO 45 2HG PRO 45 -0.034 -8.527 -12.986 315 HG3 PRO 45 1HG PRO 45 1.553 -9.165 -12.515 316 HD2 PRO 45 2HD PRO 45 -1.100 -9.507 -11.184 317 HD3 PRO 45 1HD PRO 45 0.243 -10.657 -11.338 318 H ALA 46 H ALA 46 -0.977 -7.632 -8.912 319 HA ALA 46 HA ALA 46 -0.826 -4.953 -8.083 320 HB1 ALA 46 1HB ALA 46 -2.586 -7.046 -6.843 321 HB2 ALA 46 2HB ALA 46 -2.893 -6.356 -8.437 322 HB3 ALA 46 3HB ALA 46 -2.896 -5.316 -7.012 323 H VAL 47 H VAL 47 -0.087 -7.965 -6.364 324 HA VAL 47 HA VAL 47 0.088 -6.857 -3.798 325 HB VAL 47 HB VAL 47 1.859 -9.136 -4.610 326 HG11 VAL 47 1HG1 VAL 47 1.290 -9.940 -2.365 327 HG12 VAL 47 2HG1 VAL 47 0.264 -8.527 -2.121 328 HG13 VAL 47 3HG1 VAL 47 2.005 -8.329 -2.318 329 HG21 VAL 47 3HG2 VAL 47 -1.118 -9.278 -4.149 330 HG22 VAL 47 1HG2 VAL 47 -0.035 -10.656 -4.344 331 HG23 VAL 47 2HG2 VAL 47 -0.292 -9.540 -5.685 332 HA PRO 48 HA PRO 48 4.898 -6.349 -4.504 333 HB2 PRO 48 2HB PRO 48 4.976 -6.088 -7.458 334 HB3 PRO 48 1HB PRO 48 6.110 -6.899 -6.369 335 HG2 PRO 48 2HG PRO 48 4.457 -8.305 -7.918 336 HG3 PRO 48 1HG PRO 48 4.827 -8.828 -6.263 337 HD2 PRO 48 2HD PRO 48 2.389 -7.451 -7.315 338 HD3 PRO 48 1HD PRO 48 2.517 -8.761 -6.130 339 H ILE 49 H ILE 49 2.741 -4.995 -6.946 340 HA ILE 49 HA ILE 49 3.877 -2.439 -7.095 341 HB ILE 49 HB ILE 49 1.239 -3.606 -7.826 342 HG12 ILE 49 2HG1 ILE 49 3.003 -1.957 -9.579 343 HG13 ILE 49 1HG1 ILE 49 3.511 -3.584 -9.141 344 HG21 ILE 49 1HG2 ILE 49 0.757 -1.262 -8.831 345 HG22 ILE 49 2HG2 ILE 49 1.797 -0.701 -7.522 346 HG23 ILE 49 3HG2 ILE 49 0.332 -1.611 -7.157 347 HD11 ILE 49 3HD1 ILE 49 2.237 -3.260 -11.324 348 HD12 ILE 49 1HD1 ILE 49 0.809 -3.063 -10.309 349 HD13 ILE 49 2HD1 ILE 49 1.729 -4.568 -10.255 350 H LEU 50 H LEU 50 1.468 -3.804 -4.919 351 HA LEU 50 HA LEU 50 0.806 -1.290 -3.711 352 HB2 LEU 50 2HB LEU 50 -0.822 -3.058 -3.630 353 HB3 LEU 50 1HB LEU 50 0.315 -4.136 -2.849 354 HG LEU 50 HG LEU 50 0.319 -2.576 -0.879 355 HD11 LEU 50 1HD1 LEU 50 -0.487 -0.588 -2.074 356 HD12 LEU 50 2HD1 LEU 50 -1.476 -0.968 -0.664 357 HD13 LEU 50 3HD1 LEU 50 -2.057 -1.365 -2.281 358 HD21 LEU 50 3HD2 LEU 50 -2.440 -3.616 -1.483 359 HD22 LEU 50 1HD2 LEU 50 -1.623 -3.494 0.078 360 HD23 LEU 50 2HD2 LEU 50 -1.082 -4.684 -1.109 361 H HIS 51 H HIS 51 2.715 -4.111 -2.661 362 HA HIS 51 HA HIS 51 3.669 -3.070 -0.271 363 HB2 HIS 51 2HB HIS 51 4.925 -4.997 -2.227 364 HB3 HIS 51 1HB HIS 51 5.676 -4.587 -0.688 365 HD1 HIS 51 1HD HIS 51 5.324 -6.477 0.849 366 HD2 HIS 51 2HD HIS 51 1.944 -5.719 -1.446 367 HE1 HIS 51 1HE HIS 51 3.585 -8.106 1.654 368 HE2 HIS 51 2HE HIS 51 1.527 -7.582 0.298 369 H SER 52 H SER 52 4.469 -2.300 -3.532 370 HA SER 52 HA SER 52 6.952 -0.962 -2.888 371 HB2 SER 52 2HB SER 52 5.323 -1.099 -5.436 372 HB3 SER 52 1HB SER 52 6.862 -0.250 -5.297 373 HG SER 52 HG SER 52 7.686 -2.364 -4.536 374 H MET 53 H MET 53 3.650 -0.016 -3.824 375 HA MET 53 HA MET 53 4.081 2.755 -3.828 376 HB2 MET 53 2HB MET 53 1.790 2.995 -4.014 377 HB3 MET 53 1HB MET 53 2.015 1.359 -4.606 378 HG2 MET 53 2HG MET 53 0.192 1.161 -3.215 379 HG3 MET 53 1HG MET 53 1.524 0.646 -2.188 380 HE1 MET 53 3HE MET 53 0.329 1.002 0.113 381 HE2 MET 53 1HE MET 53 -1.133 1.282 -0.832 382 HE3 MET 53 2HE MET 53 -0.692 2.397 0.462 383 H VAL 54 H VAL 54 3.690 0.455 -1.299 384 HA VAL 54 HA VAL 54 2.831 1.949 0.845 385 HB VAL 54 HB VAL 54 4.865 -0.265 0.746 386 HG11 VAL 54 1HG1 VAL 54 4.549 -0.510 3.159 387 HG12 VAL 54 2HG1 VAL 54 3.558 0.948 3.170 388 HG13 VAL 54 3HG1 VAL 54 5.267 1.049 2.749 389 HG21 VAL 54 3HG2 VAL 54 1.916 -0.118 1.215 390 HG22 VAL 54 1HG2 VAL 54 2.865 -1.454 1.868 391 HG23 VAL 54 2HG2 VAL 54 2.824 -1.170 0.130 392 H GLN 55 H GLN 55 6.163 1.595 -0.344 393 HA GLN 55 HA GLN 55 7.214 3.415 1.604 394 HB2 GLN 55 2HB GLN 55 8.592 2.561 -0.921 395 HB3 GLN 55 1HB GLN 55 9.304 3.039 0.615 396 HG2 GLN 55 2HG GLN 55 8.408 0.996 1.643 397 HG3 GLN 55 1HG GLN 55 7.767 0.512 0.072 398 HE21 GLN 55 1HE2 GLN 55 8.995 -1.349 -0.007 399 HE22 GLN 55 2HE2 GLN 55 10.702 -1.328 -0.270 400 H LYS 56 H LYS 56 5.577 3.763 -1.316 401 HA LYS 56 HA LYS 56 6.817 6.306 -2.015 402 HB2 LYS 56 2HB LYS 56 4.521 4.824 -3.308 403 HB3 LYS 56 1HB LYS 56 5.295 6.268 -3.943 404 HG2 LYS 56 2HG LYS 56 7.374 5.060 -4.233 405 HG3 LYS 56 1HG LYS 56 6.652 3.612 -3.529 406 HD2 LYS 56 2HD LYS 56 6.567 3.304 -5.870 407 HD3 LYS 56 1HD LYS 56 4.927 3.746 -5.385 408 HE2 LYS 56 2HE LYS 56 5.394 5.013 -7.323 409 HE3 LYS 56 1HE LYS 56 5.538 6.127 -5.963 410 HZ1 LYS 56 3HZ LYS 56 7.945 5.832 -6.037 411 HZ2 LYS 56 1HZ LYS 56 7.355 6.426 -7.507 412 HZ3 LYS 56 2HZ LYS 56 7.794 4.798 -7.366 413 H PHE 57 H PHE 57 4.231 5.072 -0.191 414 HA PHE 57 HA PHE 57 3.198 7.784 0.214 415 HB2 PHE 57 2HB PHE 57 1.641 5.355 -0.585 416 HB3 PHE 57 1HB PHE 57 0.877 6.627 0.365 417 HD1 PHE 57 2HD PHE 57 2.351 5.760 -2.872 418 HD2 PHE 57 1HD PHE 57 0.419 8.787 -0.588 419 HE1 PHE 57 2HE PHE 57 1.937 7.045 -4.929 420 HE2 PHE 57 1HE PHE 57 0.002 10.076 -2.642 421 HZ PHE 57 HZ PHE 57 0.764 9.206 -4.815 422 HA PRO 58 HA PRO 58 4.232 5.359 4.171 423 HB2 PRO 58 2HB PRO 58 5.313 7.665 5.309 424 HB3 PRO 58 1HB PRO 58 6.239 6.358 4.566 425 HG2 PRO 58 2HG PRO 58 5.374 8.971 3.401 426 HG3 PRO 58 1HG PRO 58 6.911 8.105 3.202 427 HD2 PRO 58 2HD PRO 58 5.077 8.064 1.273 428 HD3 PRO 58 1HD PRO 58 6.001 6.601 1.666 429 H GLY 59 H GLY 59 3.106 8.703 3.667 430 HA2 GLY 59 2HA GLY 59 1.712 9.029 6.063 431 HA3 GLY 59 1HA GLY 59 1.318 9.844 4.553 432 H VAL 60 H VAL 60 0.744 7.532 3.035 433 HA VAL 60 HA VAL 60 -1.976 7.095 3.752 434 HB VAL 60 HB VAL 60 -0.162 5.990 1.619 435 HG11 VAL 60 1HG1 VAL 60 -1.580 4.116 2.277 436 HG12 VAL 60 2HG1 VAL 60 -2.064 4.734 0.697 437 HG13 VAL 60 3HG1 VAL 60 -3.014 5.132 2.128 438 HG21 VAL 60 3HG2 VAL 60 -1.851 7.082 0.154 439 HG22 VAL 60 1HG2 VAL 60 -1.012 8.197 1.233 440 HG23 VAL 60 2HG2 VAL 60 -2.658 7.681 1.604 441 H SER 61 H SER 61 -2.961 5.225 4.559 442 HA SER 61 HA SER 61 -1.236 3.600 6.213 443 HB2 SER 61 2HB SER 61 -3.360 4.395 7.124 444 HB3 SER 61 1HB SER 61 -4.237 3.531 5.865 445 HG SER 61 HG SER 61 -2.632 1.791 7.026 446 H PHE 62 H PHE 62 -0.089 2.197 5.026 447 HA PHE 62 HA PHE 62 -1.048 0.761 2.797 448 HB2 PHE 62 2HB PHE 62 0.980 -0.763 3.398 449 HB3 PHE 62 1HB PHE 62 1.269 0.896 2.877 450 HD1 PHE 62 2HD PHE 62 1.246 -1.380 5.768 451 HD2 PHE 62 1HD PHE 62 2.169 2.532 4.369 452 HE1 PHE 62 2HE PHE 62 2.506 -0.943 7.834 453 HE2 PHE 62 1HE PHE 62 3.429 2.976 6.434 454 HZ PHE 62 HZ PHE 62 3.597 1.238 8.171 455 H GLY 63 H GLY 63 -2.263 -0.997 2.654 456 HA2 GLY 63 2HA GLY 63 -2.352 -2.884 4.886 457 HA3 GLY 63 1HA GLY 63 -3.865 -2.136 4.393 458 H ILE 64 H ILE 64 -3.416 -4.898 4.353 459 HA ILE 64 HA ILE 64 -4.107 -5.452 1.627 460 HB ILE 64 HB ILE 64 -1.475 -5.506 1.944 461 HG12 ILE 64 2HG1 ILE 64 -3.004 -7.612 0.413 462 HG13 ILE 64 1HG1 ILE 64 -2.696 -5.969 -0.135 463 HG21 ILE 64 1HG2 ILE 64 -1.488 -7.106 3.787 464 HG22 ILE 64 2HG2 ILE 64 -0.635 -7.749 2.386 465 HG23 ILE 64 3HG2 ILE 64 -2.269 -8.297 2.750 466 HD11 ILE 64 3HD1 ILE 64 -0.619 -8.084 0.381 467 HD12 ILE 64 1HD1 ILE 64 -0.294 -6.429 -0.137 468 HD13 ILE 64 2HD1 ILE 64 -1.181 -7.529 -1.195 469 H SER 65 H SER 65 -5.237 -7.387 1.423 470 HA SER 65 HA SER 65 -5.368 -9.162 3.727 471 HB2 SER 65 2HB SER 65 -7.051 -7.519 4.315 472 HB3 SER 65 1HB SER 65 -7.780 -7.646 2.715 473 HG SER 65 HG SER 65 -8.852 -8.881 4.382 474 H THR 66 H THR 66 -6.571 -11.116 3.336 475 HA THR 66 HA THR 66 -7.144 -11.730 0.534 476 HB THR 66 HB THR 66 -5.928 -13.883 0.704 477 HG1 THR 66 1HG THR 66 -5.878 -13.926 3.046 478 HG21 THR 66 3HG2 THR 66 -4.902 -11.866 -0.329 479 HG22 THR 66 1HG2 THR 66 -3.726 -12.996 0.343 480 HG23 THR 66 2HG2 THR 66 -4.129 -11.519 1.218 481 H ASP 67 H ASP 67 -8.243 -11.610 3.546 482 HA ASP 67 HA ASP 67 -9.442 -14.186 3.875 483 HB2 ASP 67 2HB ASP 67 -8.933 -12.634 5.765 484 HB3 ASP 67 1HB ASP 67 -10.215 -11.572 5.190 485 H SER 68 H SER 68 -11.508 -14.843 3.436 486 HA SER 68 HA SER 68 -12.800 -13.697 1.212 487 HB2 SER 68 2HB SER 68 -12.972 -16.083 1.728 488 HB3 SER 68 1HB SER 68 -13.846 -15.714 3.214 489 HG SER 68 HG SER 68 -15.365 -16.188 1.684 490 H GLU 69 H GLU 69 -13.753 -13.779 4.651 491 HA GLU 69 HA GLU 69 -16.152 -12.447 4.504 492 HB2 GLU 69 2HB GLU 69 -14.083 -12.127 6.676 493 HB3 GLU 69 1HB GLU 69 -15.798 -11.769 6.814 494 HG2 GLU 69 2HG GLU 69 -16.332 -14.117 6.469 495 HG3 GLU 69 1HG GLU 69 -14.617 -14.488 6.297 496 H VAL 70 H VAL 70 -12.911 -11.028 4.630 497 HA VAL 70 HA VAL 70 -13.865 -8.348 4.730 498 HB VAL 70 HB VAL 70 -11.155 -9.471 4.021 499 HG11 VAL 70 1HG1 VAL 70 -11.328 -7.384 2.867 500 HG12 VAL 70 2HG1 VAL 70 -10.339 -7.130 4.308 501 HG13 VAL 70 3HG1 VAL 70 -12.022 -6.599 4.289 502 HG21 VAL 70 3HG2 VAL 70 -11.945 -9.709 6.372 503 HG22 VAL 70 1HG2 VAL 70 -12.053 -7.950 6.462 504 HG23 VAL 70 2HG2 VAL 70 -10.491 -8.724 6.202 505 H LEU 71 H LEU 71 -12.370 -10.269 2.128 506 HA LEU 71 HA LEU 71 -12.681 -8.379 0.093 507 HB2 LEU 71 2HB LEU 71 -12.328 -11.343 0.163 508 HB3 LEU 71 1HB LEU 71 -12.755 -10.580 -1.358 509 HG LEU 71 HG LEU 71 -10.749 -9.302 -1.394 510 HD11 LEU 71 1HD1 LEU 71 -10.628 -8.637 0.918 511 HD12 LEU 71 2HD1 LEU 71 -9.102 -9.381 0.437 512 HD13 LEU 71 3HD1 LEU 71 -10.258 -10.290 1.408 513 HD21 LEU 71 3HD2 LEU 71 -9.005 -11.060 -1.251 514 HD22 LEU 71 1HD2 LEU 71 -10.441 -11.561 -2.146 515 HD23 LEU 71 2HD2 LEU 71 -10.192 -12.123 -0.493 516 H THR 72 H THR 72 -14.986 -10.200 1.769 517 HA THR 72 HA THR 72 -16.990 -10.107 -0.344 518 HB THR 72 HB THR 72 -17.177 -11.075 2.520 519 HG1 THR 72 1HG THR 72 -17.563 -13.053 0.885 520 HG21 THR 72 3HG2 THR 72 -19.325 -12.097 1.756 521 HG22 THR 72 1HG2 THR 72 -19.180 -11.175 0.258 522 HG23 THR 72 2HG2 THR 72 -19.355 -10.334 1.799 523 H HIS 73 H HIS 73 -16.317 -8.684 2.819 524 HA HIS 73 HA HIS 73 -18.637 -7.146 3.087 525 HB2 HIS 73 2HB HIS 73 -17.058 -7.536 4.930 526 HB3 HIS 73 1HB HIS 73 -15.846 -6.560 4.106 527 HD1 HIS 73 1HD HIS 73 -18.965 -6.302 6.133 528 HD2 HIS 73 2HD HIS 73 -16.260 -3.780 4.239 529 HE1 HIS 73 1HE HIS 73 -19.467 -3.999 7.009 530 HE2 HIS 73 2HE HIS 73 -17.872 -2.479 5.788 531 H TYR 74 H TYR 74 -15.590 -6.517 1.437 532 HA TYR 74 HA TYR 74 -16.515 -3.869 0.623 533 HB2 TYR 74 2HB TYR 74 -13.881 -5.308 0.331 534 HB3 TYR 74 1HB TYR 74 -14.212 -3.779 -0.475 535 HD1 TYR 74 2HD TYR 74 -13.658 -5.417 2.764 536 HD2 TYR 74 1HD TYR 74 -14.326 -1.717 0.775 537 HE1 TYR 74 2HE TYR 74 -12.975 -4.211 4.794 538 HE2 TYR 74 1HE TYR 74 -13.644 -0.499 2.799 539 HH TYR 74 HH TYR 74 -13.483 -0.868 5.205 540 H ASN 75 H ASN 75 -17.365 -6.711 -0.347 541 HA ASN 75 HA ASN 75 -18.114 -7.670 -2.265 542 HB2 ASN 75 2HB ASN 75 -18.132 -4.772 -3.105 543 HB3 ASN 75 1HB ASN 75 -18.833 -6.071 -4.066 544 HD21 ASN 75 1HD2 ASN 75 -19.693 -7.517 -1.642 545 HD22 ASN 75 2HD2 ASN 75 -21.088 -6.670 -1.074 546 H ILE 76 H ILE 76 -15.172 -7.196 -1.896 547 HA ILE 76 HA ILE 76 -13.909 -6.637 -4.330 548 HB ILE 76 HB ILE 76 -12.948 -8.577 -2.224 549 HG12 ILE 76 2HG1 ILE 76 -13.544 -6.465 -1.182 550 HG13 ILE 76 1HG1 ILE 76 -11.796 -6.629 -1.235 551 HG21 ILE 76 1HG2 ILE 76 -11.570 -8.811 -4.102 552 HG22 ILE 76 2HG2 ILE 76 -10.698 -7.704 -3.040 553 HG23 ILE 76 3HG2 ILE 76 -11.579 -7.081 -4.433 554 HD11 ILE 76 3HD1 ILE 76 -11.638 -5.077 -3.041 555 HD12 ILE 76 1HD1 ILE 76 -12.629 -4.358 -1.773 556 HD13 ILE 76 2HD1 ILE 76 -13.393 -5.026 -3.215 557 H THR 77 H THR 77 -13.943 -7.680 -6.206 558 HA THR 77 HA THR 77 -14.098 -10.599 -6.240 559 HB THR 77 HB THR 77 -15.773 -10.544 -8.080 560 HG1 THR 77 1HG THR 77 -16.979 -8.562 -8.292 561 HG21 THR 77 3HG2 THR 77 -16.687 -9.306 -5.482 562 HG22 THR 77 1HG2 THR 77 -16.488 -11.030 -5.800 563 HG23 THR 77 2HG2 THR 77 -17.724 -10.112 -6.658 564 H GLY 78 H GLY 78 -11.767 -9.589 -6.669 565 HA2 GLY 78 2HA GLY 78 -10.788 -10.423 -9.020 566 HA3 GLY 78 1HA GLY 78 -11.376 -8.822 -9.442 567 H ASN 79 H ASN 79 -9.810 -9.935 -6.454 568 HA ASN 79 HA ASN 79 -8.012 -9.117 -5.315 569 HB2 ASN 79 2HB ASN 79 -6.912 -8.846 -8.119 570 HB3 ASN 79 1HB ASN 79 -5.959 -8.874 -6.639 571 HD21 ASN 79 1HD2 ASN 79 -5.642 -10.801 -5.566 572 HD22 ASN 79 2HD2 ASN 79 -6.018 -12.334 -6.269 573 H THR 80 H THR 80 -9.981 -7.270 -5.673 574 HA THR 80 HA THR 80 -9.157 -4.817 -6.820 575 HB THR 80 HB THR 80 -11.250 -5.407 -4.716 576 HG1 THR 80 1HG THR 80 -12.606 -5.675 -6.400 577 HG21 THR 80 3HG2 THR 80 -10.884 -2.942 -6.420 578 HG22 THR 80 1HG2 THR 80 -10.653 -3.043 -4.676 579 HG23 THR 80 2HG2 THR 80 -12.260 -3.266 -5.365 580 H ILE 81 H ILE 81 -8.564 -2.881 -5.820 581 HA ILE 81 HA ILE 81 -7.371 -3.101 -3.130 582 HB ILE 81 HB ILE 81 -6.451 -1.449 -5.493 583 HG12 ILE 81 2HG1 ILE 81 -5.107 -3.668 -3.938 584 HG13 ILE 81 1HG1 ILE 81 -5.777 -3.809 -5.560 585 HG21 ILE 81 1HG2 ILE 81 -6.283 -0.164 -3.414 586 HG22 ILE 81 2HG2 ILE 81 -4.692 -0.586 -4.046 587 HG23 ILE 81 3HG2 ILE 81 -5.362 -1.476 -2.679 588 HD11 ILE 81 3HD1 ILE 81 -4.140 -2.125 -6.327 589 HD12 ILE 81 1HD1 ILE 81 -3.400 -3.600 -5.699 590 HD13 ILE 81 2HD1 ILE 81 -3.428 -2.139 -4.713 591 H CYS 82 H CYS 82 -8.489 -1.924 -1.682 592 HA CYS 82 HA CYS 82 -10.093 0.302 -2.711 593 HB2 CYS 82 2HB CYS 82 -10.397 -1.309 -0.187 594 HB3 CYS 82 1HB CYS 82 -11.411 0.062 -0.619 595 HG CYS 82 HG CYS 82 -12.136 -2.923 -1.178 596 H LEU 83 H LEU 83 -9.733 2.316 -2.170 597 HA LEU 83 HA LEU 83 -7.812 2.906 -0.031 598 HB2 LEU 83 2HB LEU 83 -6.928 3.867 -1.931 599 HB3 LEU 83 1HB LEU 83 -8.498 4.213 -2.620 600 HG LEU 83 HG LEU 83 -8.789 6.123 -1.178 601 HD11 LEU 83 1HD1 LEU 83 -6.064 5.688 -0.002 602 HD12 LEU 83 2HD1 LEU 83 -7.521 5.057 0.765 603 HD13 LEU 83 3HD1 LEU 83 -7.335 6.795 0.522 604 HD21 LEU 83 3HD2 LEU 83 -6.829 7.496 -1.905 605 HD22 LEU 83 1HD2 LEU 83 -7.628 6.598 -3.196 606 HD23 LEU 83 2HD2 LEU 83 -6.103 6.014 -2.528 607 H PHE 84 H PHE 84 -8.984 3.200 1.803 608 HA PHE 84 HA PHE 84 -11.460 4.748 1.663 609 HB2 PHE 84 2HB PHE 84 -11.118 2.485 2.952 610 HB3 PHE 84 1HB PHE 84 -10.425 3.524 4.192 611 HD1 PHE 84 2HD PHE 84 -11.855 5.454 5.054 612 HD2 PHE 84 1HD PHE 84 -13.419 2.211 2.785 613 HE1 PHE 84 2HE PHE 84 -14.112 5.968 5.883 614 HE2 PHE 84 1HE PHE 84 -15.681 2.721 3.609 615 HZ PHE 84 HZ PHE 84 -16.029 4.600 5.162 616 H ARG 85 H ARG 85 -11.512 6.833 2.204 617 HA ARG 85 HA ARG 85 -9.184 7.944 3.629 618 HB2 ARG 85 2HB ARG 85 -11.053 9.815 2.320 619 HB3 ARG 85 1HB ARG 85 -9.295 9.799 2.344 620 HG2 ARG 85 2HG ARG 85 -9.272 8.046 0.654 621 HG3 ARG 85 1HG ARG 85 -11.043 8.053 0.627 622 HD2 ARG 85 2HD ARG 85 -9.174 10.261 -0.213 623 HD3 ARG 85 1HD ARG 85 -10.300 9.354 -1.223 624 HE ARG 85 HE ARG 85 -11.698 10.692 0.834 625 HH11 ARG 85 1HH1 ARG 85 -10.022 11.278 -2.163 626 HH12 ARG 85 2HH1 ARG 85 -10.929 12.704 -2.542 627 HH21 ARG 85 1HH2 ARG 85 -12.898 12.573 0.344 628 HH22 ARG 85 2HH2 ARG 85 -12.562 13.441 -1.116 629 H LEU 86 H LEU 86 -10.003 7.347 5.666 630 HA LEU 86 HA LEU 86 -12.219 7.519 7.011 631 HB2 LEU 86 2HB LEU 86 -10.430 7.142 8.372 632 HB3 LEU 86 1HB LEU 86 -9.506 8.477 7.717 633 HG LEU 86 HG LEU 86 -11.004 10.041 8.983 634 HD11 LEU 86 1HD1 LEU 86 -12.915 8.546 9.257 635 HD12 LEU 86 2HD1 LEU 86 -12.331 9.134 10.814 636 HD13 LEU 86 3HD1 LEU 86 -11.947 7.494 10.289 637 HD21 LEU 86 3HD2 LEU 86 -9.957 9.568 11.170 638 HD22 LEU 86 1HD2 LEU 86 -8.815 9.507 9.825 639 HD23 LEU 86 2HD2 LEU 86 -9.417 8.010 10.541 640 H VAL 87 H VAL 87 -10.378 10.553 6.611 641 HA VAL 87 HA VAL 87 -11.983 12.369 7.757 642 HB VAL 87 HB VAL 87 -11.420 13.787 5.520 643 HG11 VAL 87 1HG1 VAL 87 -10.716 14.345 7.773 644 HG12 VAL 87 2HG1 VAL 87 -9.345 14.442 6.668 645 HG13 VAL 87 3HG1 VAL 87 -9.516 13.054 7.741 646 HG21 VAL 87 3HG2 VAL 87 -9.484 11.482 5.621 647 HG22 VAL 87 1HG2 VAL 87 -9.173 12.994 4.766 648 HG23 VAL 87 2HG2 VAL 87 -10.515 11.965 4.269 649 H ASP 88 H ASP 88 -12.328 11.847 4.248 650 HA ASP 88 HA ASP 88 -15.044 12.831 4.385 651 HB2 ASP 88 2HB ASP 88 -13.237 12.058 2.102 652 HB3 ASP 88 1HB ASP 88 -14.926 12.502 1.862 653 H ASN 89 H ASN 89 -13.706 9.971 5.013 654 HA ASN 89 HA ASN 89 -14.377 7.804 5.057 655 HB2 ASN 89 2HB ASN 89 -17.122 9.040 4.808 656 HB3 ASN 89 1HB ASN 89 -16.766 7.413 5.380 657 HD21 ASN 89 1HD2 ASN 89 -15.857 7.126 7.409 658 HD22 ASN 89 2HD2 ASN 89 -15.846 8.380 8.597 659 H GLU 90 H GLU 90 -13.677 8.830 2.465 660 HA GLU 90 HA GLU 90 -15.574 7.753 0.577 661 HB2 GLU 90 2HB GLU 90 -12.734 8.673 0.112 662 HB3 GLU 90 1HB GLU 90 -13.948 8.375 -1.124 663 HG2 GLU 90 2HG GLU 90 -14.146 10.470 1.016 664 HG3 GLU 90 1HG GLU 90 -13.620 10.757 -0.640 665 H GLN 91 H GLN 91 -14.875 6.141 -1.059 666 HA GLN 91 HA GLN 91 -12.858 4.246 -0.177 667 HB2 GLN 91 2HB GLN 91 -14.979 3.598 0.980 668 HB3 GLN 91 1HB GLN 91 -15.719 3.368 -0.597 669 HG2 GLN 91 2HG GLN 91 -13.215 1.910 0.132 670 HG3 GLN 91 1HG GLN 91 -14.788 1.329 0.678 671 HE21 GLN 91 1HE2 GLN 91 -16.290 0.613 -0.856 672 HE22 GLN 91 2HE2 GLN 91 -15.811 0.160 -2.452 673 H LEU 92 H LEU 92 -11.701 4.466 -2.022 674 HA LEU 92 HA LEU 92 -12.999 4.284 -4.613 675 HB2 LEU 92 2HB LEU 92 -10.060 4.505 -3.949 676 HB3 LEU 92 1HB LEU 92 -10.774 4.679 -5.537 677 HG LEU 92 HG LEU 92 -10.260 6.861 -4.808 678 HD11 LEU 92 1HD1 LEU 92 -13.191 6.396 -4.304 679 HD12 LEU 92 2HD1 LEU 92 -12.431 6.726 -5.860 680 HD13 LEU 92 3HD1 LEU 92 -12.437 7.963 -4.602 681 HD21 LEU 92 3HD2 LEU 92 -10.052 6.187 -2.385 682 HD22 LEU 92 1HD2 LEU 92 -11.790 6.452 -2.258 683 HD23 LEU 92 2HD2 LEU 92 -10.725 7.787 -2.696 684 H ASN 93 H ASN 93 -13.393 2.341 -5.502 685 HA ASN 93 HA ASN 93 -11.841 0.060 -4.538 686 HB2 ASN 93 2HB ASN 93 -13.656 -1.241 -5.849 687 HB3 ASN 93 1HB ASN 93 -14.099 -0.462 -4.336 688 HD21 ASN 93 1HD2 ASN 93 -16.263 -0.398 -4.954 689 HD22 ASN 93 2HD2 ASN 93 -16.846 0.730 -6.126 690 H LEU 94 H LEU 94 -9.966 0.160 -5.686 691 HA LEU 94 HA LEU 94 -9.912 0.348 -8.556 692 HB2 LEU 94 2HB LEU 94 -8.081 1.008 -6.821 693 HB3 LEU 94 1HB LEU 94 -7.677 -0.697 -6.829 694 HG LEU 94 HG LEU 94 -7.795 0.668 -9.460 695 HD11 LEU 94 1HD1 LEU 94 -5.475 1.471 -9.170 696 HD12 LEU 94 2HD1 LEU 94 -5.579 1.083 -7.453 697 HD13 LEU 94 3HD1 LEU 94 -6.623 2.327 -8.141 698 HD21 LEU 94 3HD2 LEU 94 -7.303 -1.703 -9.303 699 HD22 LEU 94 1HD2 LEU 94 -5.971 -1.375 -8.196 700 HD23 LEU 94 2HD2 LEU 94 -5.886 -0.822 -9.869 701 H GLU 95 H GLU 95 -11.452 -1.356 -8.942 702 HA GLU 95 HA GLU 95 -10.880 -4.048 -8.132 703 HB2 GLU 95 2HB GLU 95 -12.933 -3.087 -10.117 704 HB3 GLU 95 1HB GLU 95 -12.907 -4.634 -9.279 705 HG2 GLU 95 2HG GLU 95 -13.392 -3.628 -7.203 706 HG3 GLU 95 1HG GLU 95 -13.100 -2.009 -7.837 707 H ASP 96 H ASP 96 -11.695 -5.508 -10.305 708 HA ASP 96 HA ASP 96 -9.345 -6.160 -11.574 709 HB2 ASP 96 2HB ASP 96 -11.196 -7.691 -11.536 710 HB3 ASP 96 1HB ASP 96 -12.190 -6.590 -12.486 711 H GLU 97 H GLU 97 -11.839 -3.902 -12.681 712 HA GLU 97 HA GLU 97 -10.946 -3.503 -15.285 713 HB2 GLU 97 2HB GLU 97 -12.199 -1.522 -13.374 714 HB3 GLU 97 1HB GLU 97 -11.984 -1.235 -15.095 715 HG2 GLU 97 2HG GLU 97 -14.217 -1.913 -14.810 716 HG3 GLU 97 1HG GLU 97 -13.370 -3.295 -15.501 717 H ASP 98 H ASP 98 -9.415 -2.803 -12.373 718 HA ASP 98 HA ASP 98 -7.402 -1.172 -13.754 719 HB2 ASP 98 2HB ASP 98 -8.405 -0.804 -10.917 720 HB3 ASP 98 1HB ASP 98 -7.068 0.085 -11.649 721 H ILE 99 H ILE 99 -8.074 -3.936 -11.899 722 HA ILE 99 HA ILE 99 -5.395 -4.179 -10.787 723 HB ILE 99 HB ILE 99 -7.835 -5.945 -10.584 724 HG12 ILE 99 2HG1 ILE 99 -7.771 -3.780 -9.322 725 HG13 ILE 99 1HG1 ILE 99 -7.957 -5.212 -8.319 726 HG21 ILE 99 1HG2 ILE 99 -6.534 -7.214 -8.872 727 HG22 ILE 99 2HG2 ILE 99 -5.086 -6.375 -9.429 728 HG23 ILE 99 3HG2 ILE 99 -5.968 -7.435 -10.528 729 HD11 ILE 99 3HD1 ILE 99 -5.560 -5.109 -7.786 730 HD12 ILE 99 1HD1 ILE 99 -6.437 -3.663 -7.289 731 HD13 ILE 99 2HD1 ILE 99 -5.433 -3.630 -8.740 732 H GLU 100 H GLU 100 -7.318 -5.470 -13.408 733 HA GLU 100 HA GLU 100 -5.882 -7.755 -14.053 734 HB2 GLU 100 2HB GLU 100 -6.792 -7.531 -16.298 735 HB3 GLU 100 1HB GLU 100 -8.019 -7.134 -15.103 736 HG2 GLU 100 2HG GLU 100 -7.610 -4.750 -15.491 737 HG3 GLU 100 1HG GLU 100 -6.405 -5.165 -16.710 738 H SER 101 H SER 101 -5.247 -4.390 -14.899 739 HA SER 101 HA SER 101 -2.582 -5.210 -15.840 740 HB2 SER 101 2HB SER 101 -2.663 -3.397 -17.514 741 HB3 SER 101 1HB SER 101 -3.941 -4.582 -17.781 742 HG SER 101 HG SER 101 -4.875 -2.711 -16.141 743 H ILE 102 H ILE 102 -3.290 -4.437 -13.214 744 HA ILE 102 HA ILE 102 -2.849 -1.726 -12.654 745 HB ILE 102 HB ILE 102 -3.803 -3.263 -11.009 746 HG12 ILE 102 2HG1 ILE 102 -2.300 -2.574 -9.048 747 HG13 ILE 102 1HG1 ILE 102 -1.262 -1.821 -10.253 748 HG21 ILE 102 1HG2 ILE 102 -2.248 -4.766 -9.745 749 HG22 ILE 102 2HG2 ILE 102 -1.036 -4.471 -10.995 750 HG23 ILE 102 3HG2 ILE 102 -2.558 -5.262 -11.408 751 HD11 ILE 102 3HD1 ILE 102 -3.273 -0.509 -10.996 752 HD12 ILE 102 1HD1 ILE 102 -2.642 -0.122 -9.395 753 HD13 ILE 102 2HD1 ILE 102 -4.089 -1.116 -9.556 754 H ASP 103 H ASP 103 -1.053 -0.565 -12.145 755 HA ASP 103 HA ASP 103 1.560 -1.884 -12.268 756 HB2 ASP 103 2HB ASP 103 0.903 0.669 -13.753 757 HB3 ASP 103 1HB ASP 103 2.467 -0.137 -13.699 758 H ALA 104 H ALA 104 3.219 -0.765 -11.097 759 HA ALA 104 HA ALA 104 2.470 0.341 -8.699 760 HB1 ALA 104 1HB ALA 104 4.765 1.194 -8.502 761 HB2 ALA 104 2HB ALA 104 5.026 0.839 -10.212 762 HB3 ALA 104 3HB ALA 104 4.701 -0.472 -9.074 763 H THR 105 H THR 105 3.025 1.942 -11.762 764 HA THR 105 HA THR 105 2.918 4.612 -10.875 765 HB THR 105 HB THR 105 2.077 3.462 -13.543 766 HG1 THR 105 1HG THR 105 4.319 4.685 -13.841 767 HG21 THR 105 3HG2 THR 105 2.633 6.290 -12.674 768 HG22 THR 105 1HG2 THR 105 1.114 5.636 -13.288 769 HG23 THR 105 2HG2 THR 105 2.509 5.779 -14.359 770 H LYS 106 H LYS 106 0.407 2.448 -12.146 771 HA LYS 106 HA LYS 106 -1.733 4.236 -12.021 772 HB2 LYS 106 2HB LYS 106 -1.767 1.228 -11.697 773 HB3 LYS 106 1HB LYS 106 -3.169 2.230 -12.044 774 HG2 LYS 106 2HG LYS 106 -2.234 2.871 -14.174 775 HG3 LYS 106 1HG LYS 106 -0.752 1.978 -13.822 776 HD2 LYS 106 2HD LYS 106 -2.098 0.618 -15.262 777 HD3 LYS 106 1HD LYS 106 -2.146 -0.097 -13.651 778 HE2 LYS 106 2HE LYS 106 -4.311 1.006 -13.251 779 HE3 LYS 106 1HE LYS 106 -4.265 1.656 -14.889 780 HZ1 LYS 106 3HZ LYS 106 -4.262 -0.609 -15.743 781 HZ2 LYS 106 1HZ LYS 106 -5.622 -0.331 -14.776 782 HZ3 LYS 106 2HZ LYS 106 -4.321 -1.225 -14.169 783 H LEU 107 H LEU 107 -0.924 1.650 -9.671 784 HA LEU 107 HA LEU 107 -2.816 2.246 -7.759 785 HB2 LEU 107 2HB LEU 107 -0.650 0.547 -7.916 786 HB3 LEU 107 1HB LEU 107 -0.198 1.614 -6.605 787 HG LEU 107 HG LEU 107 -2.439 -0.360 -6.744 788 HD11 LEU 107 1HD1 LEU 107 -0.468 -1.148 -5.704 789 HD12 LEU 107 2HD1 LEU 107 -1.597 -0.775 -4.403 790 HD13 LEU 107 3HD1 LEU 107 -0.278 0.338 -4.773 791 HD21 LEU 107 3HD2 LEU 107 -3.597 1.675 -6.142 792 HD22 LEU 107 1HD2 LEU 107 -2.375 2.049 -4.927 793 HD23 LEU 107 2HD2 LEU 107 -3.430 0.652 -4.716 794 H SER 108 H SER 108 0.543 3.447 -7.846 795 HA SER 108 HA SER 108 0.333 5.225 -5.701 796 HB2 SER 108 2HB SER 108 2.094 5.393 -8.156 797 HB3 SER 108 1HB SER 108 2.319 6.341 -6.685 798 HG SER 108 HG SER 108 2.322 4.113 -5.660 799 H ARG 109 H ARG 109 -0.653 5.529 -9.026 800 HA ARG 109 HA ARG 109 -0.973 8.347 -9.032 801 HB2 ARG 109 2HB ARG 109 -0.733 6.944 -11.086 802 HB3 ARG 109 1HB ARG 109 -2.333 6.294 -10.784 803 HG2 ARG 109 2HG ARG 109 -1.912 9.241 -11.075 804 HG3 ARG 109 1HG ARG 109 -2.068 8.198 -12.490 805 HD2 ARG 109 2HD ARG 109 -4.215 7.353 -11.504 806 HD3 ARG 109 1HD ARG 109 -4.071 8.616 -10.277 807 HE ARG 109 HE ARG 109 -3.862 9.932 -12.668 808 HH11 ARG 109 1HH1 ARG 109 -6.216 7.819 -11.206 809 HH12 ARG 109 2HH1 ARG 109 -7.564 8.557 -12.004 810 HH21 ARG 109 1HH2 ARG 109 -5.629 10.910 -13.724 811 HH22 ARG 109 2HH2 ARG 109 -7.230 10.313 -13.439 812 H PHE 110 H PHE 110 -3.454 5.805 -9.201 813 HA PHE 110 HA PHE 110 -5.691 7.233 -8.655 814 HB2 PHE 110 2HB PHE 110 -4.889 4.447 -7.877 815 HB3 PHE 110 1HB PHE 110 -6.432 5.100 -7.327 816 HD1 PHE 110 2HD PHE 110 -4.427 4.584 -10.420 817 HD2 PHE 110 1HD PHE 110 -8.294 4.948 -8.683 818 HE1 PHE 110 2HE PHE 110 -5.447 3.998 -12.580 819 HE2 PHE 110 1HE PHE 110 -9.321 4.363 -10.840 820 HZ PHE 110 HZ PHE 110 -7.897 3.888 -12.793 821 H ILE 111 H ILE 111 -3.355 6.016 -6.291 822 HA ILE 111 HA ILE 111 -4.699 6.933 -3.987 823 HB ILE 111 HB ILE 111 -1.748 6.476 -4.465 824 HG12 ILE 111 2HG1 ILE 111 -3.744 4.780 -2.960 825 HG13 ILE 111 1HG1 ILE 111 -3.339 4.526 -4.649 826 HG21 ILE 111 1HG2 ILE 111 -2.067 8.027 -2.619 827 HG22 ILE 111 2HG2 ILE 111 -1.529 6.453 -2.026 828 HG23 ILE 111 3HG2 ILE 111 -3.223 6.919 -1.874 829 HD11 ILE 111 3HD1 ILE 111 -2.115 3.005 -3.221 830 HD12 ILE 111 1HD1 ILE 111 -1.431 4.368 -2.335 831 HD13 ILE 111 2HD1 ILE 111 -1.015 4.120 -4.031 832 H GLU 112 H GLU 112 -1.946 8.334 -5.761 833 HA GLU 112 HA GLU 112 -1.744 10.736 -4.411 834 HB2 GLU 112 2HB GLU 112 -0.162 9.897 -6.158 835 HB3 GLU 112 1HB GLU 112 -1.354 10.331 -7.382 836 HG2 GLU 112 2HG GLU 112 -1.196 12.672 -6.703 837 HG3 GLU 112 1HG GLU 112 0.004 12.238 -5.486 838 H ILE 113 H ILE 113 -4.184 9.606 -6.493 839 HA ILE 113 HA ILE 113 -5.199 12.226 -7.182 840 HB ILE 113 HB ILE 113 -5.666 9.464 -8.066 841 HG12 ILE 113 2HG1 ILE 113 -5.887 10.560 -10.240 842 HG13 ILE 113 1HG1 ILE 113 -5.901 12.137 -9.455 843 HG21 ILE 113 1HG2 ILE 113 -7.894 9.999 -9.030 844 HG22 ILE 113 2HG2 ILE 113 -7.949 11.415 -7.979 845 HG23 ILE 113 3HG2 ILE 113 -7.877 9.796 -7.280 846 HD11 ILE 113 3HD1 ILE 113 -3.732 11.609 -10.449 847 HD12 ILE 113 1HD1 ILE 113 -3.608 10.190 -9.411 848 HD13 ILE 113 2HD1 ILE 113 -3.624 11.803 -8.699 849 H ASN 114 H ASN 114 -6.049 9.533 -5.045 850 HA ASN 114 HA ASN 114 -8.152 11.254 -3.903 851 HB2 ASN 114 2HB ASN 114 -8.185 8.250 -4.212 852 HB3 ASN 114 1HB ASN 114 -9.378 9.175 -3.300 853 HD21 ASN 114 1HD2 ASN 114 -9.419 11.406 -5.113 854 HD22 ASN 114 2HD2 ASN 114 -10.253 10.884 -6.532 855 H SER 115 H SER 115 -5.335 11.003 -3.086 856 HA SER 115 HA SER 115 -5.402 9.560 -0.585 857 HB2 SER 115 2HB SER 115 -3.120 10.424 -0.277 858 HB3 SER 115 1HB SER 115 -3.313 9.726 -1.887 859 HG SER 115 HG SER 115 -2.903 12.360 -1.124 860 H LEU 116 H LEU 116 -7.457 11.405 -0.715 861 HA LEU 116 HA LEU 116 -6.642 13.724 0.845 862 HB2 LEU 116 2HB LEU 116 -9.372 12.968 -0.178 863 HB3 LEU 116 1HB LEU 116 -8.909 14.512 0.512 864 HG LEU 116 HG LEU 116 -7.932 13.361 -2.102 865 HD11 LEU 116 1HD1 LEU 116 -9.704 15.732 -1.527 866 HD12 LEU 116 2HD1 LEU 116 -10.246 14.174 -2.148 867 HD13 LEU 116 3HD1 LEU 116 -9.172 15.184 -3.117 868 HD21 LEU 116 3HD2 LEU 116 -6.162 14.639 -1.068 869 HD22 LEU 116 1HD2 LEU 116 -7.272 15.969 -0.735 870 HD23 LEU 116 2HD2 LEU 116 -6.852 15.565 -2.400 Start of MODEL 2 1 H GLU 1 H GLU 1 30.146 6.373 -6.984 2 HA GLU 1 HA GLU 1 29.321 6.913 -9.641 3 HB2 GLU 1 2HB GLU 1 29.961 4.590 -10.104 4 HB3 GLU 1 1HB GLU 1 28.906 4.032 -8.811 5 HG2 GLU 1 2HG GLU 1 27.863 3.694 -10.962 6 HG3 GLU 1 1HG GLU 1 26.966 4.888 -10.027 7 H VAL 2 H VAL 2 28.040 4.803 -7.064 8 HA VAL 2 HA VAL 2 26.145 4.917 -5.812 9 HB VAL 2 HB VAL 2 26.290 7.876 -6.175 10 HG11 VAL 2 1HG1 VAL 2 25.222 6.199 -3.917 11 HG12 VAL 2 2HG1 VAL 2 24.248 7.032 -5.128 12 HG13 VAL 2 3HG1 VAL 2 25.223 7.961 -3.991 13 HG21 VAL 2 3HG2 VAL 2 27.757 6.177 -4.172 14 HG22 VAL 2 1HG2 VAL 2 27.716 7.940 -4.188 15 HG23 VAL 2 2HG2 VAL 2 28.485 7.063 -5.510 16 H GLU 3 H GLU 3 24.892 3.904 -7.462 17 HA GLU 3 HA GLU 3 22.694 5.550 -8.359 18 HB2 GLU 3 2HB GLU 3 24.385 5.794 -10.166 19 HB3 GLU 3 1HB GLU 3 24.360 4.051 -10.389 20 HG2 GLU 3 2HG GLU 3 23.007 5.123 -12.067 21 HG3 GLU 3 1HG GLU 3 21.987 4.174 -10.987 22 H LYS 4 H LYS 4 24.269 2.384 -8.413 23 HA LYS 4 HA LYS 4 21.612 1.148 -8.113 24 HB2 LYS 4 2HB LYS 4 23.986 0.050 -9.630 25 HB3 LYS 4 1HB LYS 4 22.486 -0.819 -9.338 26 HG2 LYS 4 2HG LYS 4 21.254 0.787 -10.654 27 HG3 LYS 4 1HG LYS 4 22.710 1.759 -10.877 28 HD2 LYS 4 2HD LYS 4 23.761 -0.065 -12.101 29 HD3 LYS 4 1HD LYS 4 22.343 -1.081 -11.834 30 HE2 LYS 4 2HE LYS 4 22.355 -0.102 -14.081 31 HE3 LYS 4 1HE LYS 4 20.973 0.446 -13.133 32 HZ1 LYS 4 3HZ LYS 4 22.163 2.504 -12.670 33 HZ2 LYS 4 1HZ LYS 4 21.984 2.270 -14.338 34 HZ3 LYS 4 2HZ LYS 4 23.477 1.977 -13.596 35 H SER 5 H SER 5 23.885 2.010 -6.251 36 HA SER 5 HA SER 5 24.500 -0.583 -5.026 37 HB2 SER 5 2HB SER 5 25.650 2.158 -4.452 38 HB3 SER 5 1HB SER 5 26.171 0.649 -3.702 39 HG SER 5 HG SER 5 26.395 1.417 -6.419 40 H SER 6 H SER 6 21.876 0.840 -4.904 41 HA SER 6 HA SER 6 21.696 1.467 -2.048 42 HB2 SER 6 2HB SER 6 19.660 1.808 -4.264 43 HB3 SER 6 1HB SER 6 19.438 2.311 -2.589 44 HG SER 6 HG SER 6 20.136 4.076 -3.752 45 H ASP 7 H ASP 7 21.272 -1.116 -4.139 46 HA ASP 7 HA ASP 7 19.032 -2.343 -2.812 47 HB2 ASP 7 2HB ASP 7 21.023 -3.480 -4.788 48 HB3 ASP 7 1HB ASP 7 19.554 -4.288 -4.248 49 H GLY 8 H GLY 8 19.381 -2.824 -0.712 50 HA2 GLY 8 2HA GLY 8 21.410 -4.850 -0.146 51 HA3 GLY 8 1HA GLY 8 21.502 -3.355 0.772 52 HA PRO 9 HA PRO 9 18.955 -6.398 3.234 53 HB2 PRO 9 2HB PRO 9 20.082 -4.639 5.355 54 HB3 PRO 9 1HB PRO 9 19.944 -6.400 5.309 55 HG2 PRO 9 2HG PRO 9 22.299 -5.226 4.938 56 HG3 PRO 9 1HG PRO 9 21.834 -6.645 3.983 57 HD2 PRO 9 2HD PRO 9 21.867 -3.759 3.198 58 HD3 PRO 9 1HD PRO 9 22.315 -5.190 2.248 59 H GLY 10 H GLY 10 19.345 -3.151 4.640 60 HA2 GLY 10 2HA GLY 10 17.791 -1.578 5.261 61 HA3 GLY 10 1HA GLY 10 16.995 -1.981 3.747 62 H ALA 11 H ALA 11 14.897 -2.224 4.155 63 HA ALA 11 HA ALA 11 13.958 -4.358 5.770 64 HB1 ALA 11 1HB ALA 11 13.442 -1.582 6.839 65 HB2 ALA 11 2HB ALA 11 14.478 -2.800 7.583 66 HB3 ALA 11 3HB ALA 11 12.742 -3.078 7.456 67 H ALA 12 H ALA 12 12.850 -1.118 4.776 68 HA ALA 12 HA ALA 12 11.097 -0.421 3.512 69 HB1 ALA 12 1HB ALA 12 12.316 -1.862 1.851 70 HB2 ALA 12 2HB ALA 12 10.599 -1.617 1.531 71 HB3 ALA 12 3HB ALA 12 11.159 -3.140 2.224 72 H GLN 13 H GLN 13 9.371 -0.122 4.759 73 HA GLN 13 HA GLN 13 7.997 -2.023 6.246 74 HB2 GLN 13 2HB GLN 13 6.150 -0.343 6.295 75 HB3 GLN 13 1HB GLN 13 7.728 0.313 6.716 76 HG2 GLN 13 2HG GLN 13 7.899 1.060 4.301 77 HG3 GLN 13 1HG GLN 13 6.188 0.658 4.162 78 HE21 GLN 13 1HE2 GLN 13 5.677 1.465 6.949 79 HE22 GLN 13 2HE2 GLN 13 5.667 3.192 6.937 80 H GLU 14 H GLU 14 5.915 -2.972 5.969 81 HA GLU 14 HA GLU 14 5.106 -3.330 3.160 82 HB2 GLU 14 2HB GLU 14 4.675 -5.674 3.582 83 HB3 GLU 14 1HB GLU 14 6.340 -5.304 4.012 84 HG2 GLU 14 2HG GLU 14 5.509 -5.066 6.399 85 HG3 GLU 14 1HG GLU 14 4.016 -5.817 5.833 86 HA PRO 15 HA PRO 15 0.986 -2.369 4.370 87 HB2 PRO 15 2HB PRO 15 -0.524 -4.193 3.016 88 HB3 PRO 15 1HB PRO 15 0.240 -2.792 2.256 89 HG2 PRO 15 2HG PRO 15 1.136 -5.640 2.316 90 HG3 PRO 15 1HG PRO 15 1.183 -4.473 0.983 91 HD2 PRO 15 2HD PRO 15 3.364 -5.094 2.463 92 HD3 PRO 15 1HD PRO 15 3.119 -3.491 1.742 93 H THR 16 H THR 16 -0.497 -2.802 5.914 94 HA THR 16 HA THR 16 0.018 -4.805 7.819 95 HB THR 16 HB THR 16 -2.591 -3.316 7.475 96 HG1 THR 16 1HG THR 16 -1.005 -1.760 7.582 97 HG21 THR 16 3HG2 THR 16 -2.657 -5.145 9.098 98 HG22 THR 16 1HG2 THR 16 -2.752 -3.581 9.907 99 HG23 THR 16 2HG2 THR 16 -1.237 -4.485 9.909 100 H TRP 17 H TRP 17 -1.287 -6.580 8.482 101 HA TRP 17 HA TRP 17 -2.550 -7.949 6.222 102 HB2 TRP 17 2HB TRP 17 -1.538 -8.984 8.876 103 HB3 TRP 17 1HB TRP 17 -2.326 -9.982 7.658 104 HD1 TRP 17 HD TRP 17 -0.972 -10.112 5.216 105 HE1 TRP 17 1HE TRP 17 1.566 -10.196 4.795 106 HE3 TRP 17 3HE TRP 17 0.653 -8.286 9.704 107 HZ2 TRP 17 2HZ TRP 17 3.943 -9.573 6.186 108 HZ3 TRP 17 3HZ TRP 17 3.074 -8.062 10.081 109 HH2 TRP 17 HH TRP 17 4.685 -8.694 8.357 110 H LEU 18 H LEU 18 -4.579 -6.978 6.239 111 HA LEU 18 HA LEU 18 -6.194 -7.047 8.655 112 HB2 LEU 18 2HB LEU 18 -6.979 -6.223 5.858 113 HB3 LEU 18 1HB LEU 18 -7.857 -5.885 7.340 114 HG LEU 18 HG LEU 18 -5.119 -4.804 6.677 115 HD11 LEU 18 1HD1 LEU 18 -7.829 -3.510 6.542 116 HD12 LEU 18 2HD1 LEU 18 -6.735 -3.834 5.200 117 HD13 LEU 18 3HD1 LEU 18 -6.296 -2.649 6.429 118 HD21 LEU 18 3HD2 LEU 18 -5.392 -4.994 9.047 119 HD22 LEU 18 1HD2 LEU 18 -7.001 -4.280 8.969 120 HD23 LEU 18 2HD2 LEU 18 -5.582 -3.298 8.602 121 H THR 19 H THR 19 -6.019 -9.425 8.773 122 HA THR 19 HA THR 19 -7.279 -11.060 6.798 123 HB THR 19 HB THR 19 -6.982 -12.895 8.354 124 HG1 THR 19 1HG THR 19 -6.136 -10.941 10.249 125 HG21 THR 19 3HG2 THR 19 -4.564 -12.765 8.696 126 HG22 THR 19 1HG2 THR 19 -4.612 -11.025 8.421 127 HG23 THR 19 2HG2 THR 19 -5.010 -12.135 7.110 128 H ASP 20 H ASP 20 -8.576 -8.979 9.046 129 HA ASP 20 HA ASP 20 -11.134 -10.408 8.938 130 HB2 ASP 20 2HB ASP 20 -9.921 -9.201 11.429 131 HB3 ASP 20 1HB ASP 20 -11.594 -9.741 11.300 132 H VAL 21 H VAL 21 -12.969 -9.131 8.927 133 HA VAL 21 HA VAL 21 -12.796 -6.663 7.649 134 HB VAL 21 HB VAL 21 -15.135 -7.606 9.313 135 HG11 VAL 21 1HG1 VAL 21 -15.321 -5.291 8.630 136 HG12 VAL 21 2HG1 VAL 21 -16.454 -6.280 7.709 137 HG13 VAL 21 3HG1 VAL 21 -14.957 -5.727 6.960 138 HG21 VAL 21 3HG2 VAL 21 -14.465 -8.216 6.436 139 HG22 VAL 21 1HG2 VAL 21 -15.972 -8.635 7.249 140 HG23 VAL 21 2HG2 VAL 21 -14.454 -9.362 7.774 141 HA PRO 22 HA PRO 22 -13.804 -4.618 12.002 142 HB2 PRO 22 2HB PRO 22 -12.620 -6.007 14.080 143 HB3 PRO 22 1HB PRO 22 -14.338 -6.070 13.678 144 HG2 PRO 22 2HG PRO 22 -12.149 -7.971 12.948 145 HG3 PRO 22 1HG PRO 22 -13.808 -8.322 13.470 146 HD2 PRO 22 2HD PRO 22 -13.118 -8.481 10.899 147 HD3 PRO 22 1HD PRO 22 -14.700 -7.831 11.378 148 H ALA 23 H ALA 23 -10.862 -6.614 11.766 149 HA ALA 23 HA ALA 23 -9.115 -4.690 12.861 150 HB1 ALA 23 1HB ALA 23 -8.405 -6.874 10.905 151 HB2 ALA 23 2HB ALA 23 -8.589 -7.114 12.644 152 HB3 ALA 23 3HB ALA 23 -7.318 -6.056 12.029 153 H ALA 24 H ALA 24 -10.245 -5.357 9.638 154 HA ALA 24 HA ALA 24 -8.474 -3.686 8.216 155 HB1 ALA 24 1HB ALA 24 -10.206 -3.747 6.431 156 HB2 ALA 24 2HB ALA 24 -11.286 -4.572 7.558 157 HB3 ALA 24 3HB ALA 24 -9.783 -5.345 7.051 158 H MET 25 H MET 25 -11.857 -3.131 9.162 159 HA MET 25 HA MET 25 -11.960 -0.423 8.475 160 HB2 MET 25 2HB MET 25 -13.561 -1.788 10.641 161 HB3 MET 25 1HB MET 25 -14.001 -0.329 9.763 162 HG2 MET 25 2HG MET 25 -14.037 -1.699 7.674 163 HG3 MET 25 1HG MET 25 -13.814 -3.126 8.680 164 HE1 MET 25 3HE MET 25 -16.222 -0.261 7.580 165 HE2 MET 25 1HE MET 25 -15.928 0.149 9.270 166 HE3 MET 25 2HE MET 25 -17.527 -0.392 8.760 167 H GLU 26 H GLU 26 -10.664 -2.021 11.288 168 HA GLU 26 HA GLU 26 -10.684 0.268 12.990 169 HB2 GLU 26 2HB GLU 26 -9.410 -2.422 13.065 170 HB3 GLU 26 1HB GLU 26 -8.738 -1.165 14.096 171 HG2 GLU 26 2HG GLU 26 -11.193 -0.808 14.834 172 HG3 GLU 26 1HG GLU 26 -11.440 -2.424 14.168 173 H PHE 27 H PHE 27 -8.125 -1.304 11.077 174 HA PHE 27 HA PHE 27 -6.137 0.582 11.637 175 HB2 PHE 27 2HB PHE 27 -6.539 -1.505 9.564 176 HB3 PHE 27 1HB PHE 27 -5.348 -0.253 9.214 177 HD1 PHE 27 2HD PHE 27 -6.244 -2.987 11.510 178 HD2 PHE 27 1HD PHE 27 -3.275 -0.157 10.378 179 HE1 PHE 27 2HE PHE 27 -4.597 -4.166 12.905 180 HE2 PHE 27 1HE PHE 27 -1.620 -1.329 11.774 181 HZ PHE 27 HZ PHE 27 -2.282 -3.337 13.041 182 H ILE 28 H ILE 28 -8.737 0.537 9.302 183 HA ILE 28 HA ILE 28 -7.845 2.816 7.819 184 HB ILE 28 HB ILE 28 -10.489 1.391 8.011 185 HG12 ILE 28 2HG1 ILE 28 -8.698 1.805 5.617 186 HG13 ILE 28 1HG1 ILE 28 -8.510 0.443 6.723 187 HG21 ILE 28 1HG2 ILE 28 -11.301 2.847 6.188 188 HG22 ILE 28 2HG2 ILE 28 -9.873 3.857 6.395 189 HG23 ILE 28 3HG2 ILE 28 -11.048 3.715 7.699 190 HD11 ILE 28 3HD1 ILE 28 -9.797 -0.083 4.678 191 HD12 ILE 28 1HD1 ILE 28 -11.030 1.061 5.202 192 HD13 ILE 28 2HD1 ILE 28 -10.692 -0.376 6.170 193 H ALA 29 H ALA 29 -10.006 2.272 10.537 194 HA ALA 29 HA ALA 29 -10.940 4.966 10.697 195 HB1 ALA 29 1HB ALA 29 -11.038 2.699 12.689 196 HB2 ALA 29 2HB ALA 29 -12.308 3.186 11.564 197 HB3 ALA 29 3HB ALA 29 -11.853 4.253 12.891 198 H ALA 30 H ALA 30 -8.118 3.325 11.738 199 HA ALA 30 HA ALA 30 -7.491 5.327 13.773 200 HB1 ALA 30 1HB ALA 30 -5.578 3.929 14.305 201 HB2 ALA 30 2HB ALA 30 -5.922 2.898 12.915 202 HB3 ALA 30 3HB ALA 30 -7.052 2.962 14.269 203 H THR 31 H THR 31 -7.614 5.925 10.855 204 HA THR 31 HA THR 31 -5.280 7.548 10.708 205 HB THR 31 HB THR 31 -4.249 5.413 10.074 206 HG1 THR 31 1HG THR 31 -4.305 7.663 8.561 207 HG21 THR 31 3HG2 THR 31 -5.803 5.355 7.536 208 HG22 THR 31 1HG2 THR 31 -6.539 4.680 8.990 209 HG23 THR 31 2HG2 THR 31 -5.004 4.044 8.405 210 H GLU 32 H GLU 32 -5.319 9.012 8.953 211 HA GLU 32 HA GLU 32 -7.893 9.774 8.074 212 HB2 GLU 32 2HB GLU 32 -5.710 11.162 8.347 213 HB3 GLU 32 1HB GLU 32 -5.362 10.640 6.704 214 HG2 GLU 32 2HG GLU 32 -7.430 11.646 5.930 215 HG3 GLU 32 1HG GLU 32 -7.819 12.135 7.580 216 H VAL 33 H VAL 33 -5.170 9.025 5.900 217 HA VAL 33 HA VAL 33 -7.090 7.899 3.995 218 HB VAL 33 HB VAL 33 -4.183 8.531 3.498 219 HG11 VAL 33 1HG1 VAL 33 -5.136 7.006 1.883 220 HG12 VAL 33 2HG1 VAL 33 -4.898 8.589 1.140 221 HG13 VAL 33 3HG1 VAL 33 -6.515 8.083 1.639 222 HG21 VAL 33 3HG2 VAL 33 -5.028 10.606 2.427 223 HG22 VAL 33 1HG2 VAL 33 -5.256 10.572 4.174 224 HG23 VAL 33 2HG2 VAL 33 -6.621 10.255 3.101 225 H ALA 34 H ALA 34 -7.050 5.793 3.364 226 HA ALA 34 HA ALA 34 -4.864 4.085 4.302 227 HB1 ALA 34 1HB ALA 34 -6.481 3.864 6.043 228 HB2 ALA 34 2HB ALA 34 -6.535 2.392 5.069 229 HB3 ALA 34 3HB ALA 34 -7.781 3.624 4.876 230 H VAL 35 H VAL 35 -4.162 2.802 2.755 231 HA VAL 35 HA VAL 35 -6.006 2.094 0.573 232 HB VAL 35 HB VAL 35 -3.025 2.552 0.498 233 HG11 VAL 35 1HG1 VAL 35 -4.810 1.361 -1.631 234 HG12 VAL 35 2HG1 VAL 35 -3.481 0.552 -0.802 235 HG13 VAL 35 3HG1 VAL 35 -3.151 1.901 -1.888 236 HG21 VAL 35 3HG2 VAL 35 -3.728 4.159 -1.281 237 HG22 VAL 35 1HG2 VAL 35 -4.331 4.549 0.333 238 HG23 VAL 35 2HG2 VAL 35 -5.405 3.806 -0.854 239 H ILE 36 H ILE 36 -6.350 0.012 0.174 240 HA ILE 36 HA ILE 36 -4.614 -1.961 1.479 241 HB ILE 36 HB ILE 36 -7.619 -1.875 1.696 242 HG12 ILE 36 2HG1 ILE 36 -5.730 -1.934 4.007 243 HG13 ILE 36 1HG1 ILE 36 -5.959 -0.417 3.151 244 HG21 ILE 36 1HG2 ILE 36 -5.626 -3.960 2.579 245 HG22 ILE 36 2HG2 ILE 36 -6.992 -4.163 1.476 246 HG23 ILE 36 3HG2 ILE 36 -7.279 -3.862 3.192 247 HD11 ILE 36 3HD1 ILE 36 -7.416 -0.472 5.022 248 HD12 ILE 36 1HD1 ILE 36 -8.048 -2.050 4.548 249 HD13 ILE 36 2HD1 ILE 36 -8.389 -0.630 3.559 250 H GLY 37 H GLY 37 -4.292 -3.820 0.414 251 HA2 GLY 37 2HA GLY 37 -5.519 -4.037 -2.240 252 HA3 GLY 37 1HA GLY 37 -4.007 -4.778 -1.757 253 H PHE 38 H PHE 38 -7.433 -5.099 -1.904 254 HA PHE 38 HA PHE 38 -7.545 -7.522 -0.315 255 HB2 PHE 38 2HB PHE 38 -9.668 -6.333 -2.114 256 HB3 PHE 38 1HB PHE 38 -9.903 -7.535 -0.847 257 HD1 PHE 38 2HD PHE 38 -8.720 -4.048 -1.356 258 HD2 PHE 38 1HD PHE 38 -10.512 -6.867 1.277 259 HE1 PHE 38 2HE PHE 38 -9.140 -2.256 0.270 260 HE2 PHE 38 1HE PHE 38 -10.938 -5.073 2.906 261 HZ PHE 38 HZ PHE 38 -10.251 -2.766 2.404 262 H PHE 39 H PHE 39 -6.159 -8.933 -1.366 263 HA PHE 39 HA PHE 39 -6.863 -9.660 -4.126 264 HB2 PHE 39 2HB PHE 39 -4.309 -10.315 -2.666 265 HB3 PHE 39 1HB PHE 39 -4.621 -10.448 -4.396 266 HD1 PHE 39 1HD PHE 39 -5.815 -7.926 -5.104 267 HD2 PHE 39 2HD PHE 39 -2.672 -8.734 -2.353 268 HE1 PHE 39 1HE PHE 39 -4.940 -5.655 -5.443 269 HE2 PHE 39 2HE PHE 39 -1.793 -6.459 -2.685 270 HZ PHE 39 HZ PHE 39 -2.928 -4.917 -4.232 271 H GLN 40 H GLN 40 -7.444 -11.690 -4.653 272 HA GLN 40 HA GLN 40 -7.991 -13.558 -2.510 273 HB2 GLN 40 2HB GLN 40 -8.427 -13.815 -5.497 274 HB3 GLN 40 1HB GLN 40 -9.027 -14.932 -4.278 275 HG2 GLN 40 2HG GLN 40 -10.402 -13.145 -3.326 276 HG3 GLN 40 1HG GLN 40 -9.812 -12.039 -4.566 277 HE21 GLN 40 1HE2 GLN 40 -9.809 -14.125 -6.619 278 HE22 GLN 40 2HE2 GLN 40 -11.463 -14.366 -7.053 279 H ASP 41 H ASP 41 -5.426 -12.744 -4.374 280 HA ASP 41 HA ASP 41 -3.971 -15.168 -3.733 281 HB2 ASP 41 2HB ASP 41 -4.952 -15.552 -6.019 282 HB3 ASP 41 1HB ASP 41 -4.062 -14.139 -6.585 283 H LEU 42 H LEU 42 -2.032 -14.560 -2.954 284 HA LEU 42 HA LEU 42 -1.172 -11.814 -3.430 285 HB2 LEU 42 2HB LEU 42 -0.177 -13.877 -1.468 286 HB3 LEU 42 1HB LEU 42 0.451 -12.242 -1.603 287 HG LEU 42 HG LEU 42 -2.365 -12.989 -0.820 288 HD11 LEU 42 1HD1 LEU 42 -1.743 -12.138 1.374 289 HD12 LEU 42 2HD1 LEU 42 -0.103 -11.832 0.802 290 HD13 LEU 42 3HD1 LEU 42 -0.705 -13.486 0.906 291 HD21 LEU 42 3HD2 LEU 42 -1.014 -10.309 -1.113 292 HD22 LEU 42 1HD2 LEU 42 -2.555 -10.562 -0.294 293 HD23 LEU 42 2HD2 LEU 42 -2.406 -10.910 -2.015 294 H GLU 43 H GLU 43 -0.896 -13.278 -5.664 295 HA GLU 43 HA GLU 43 2.014 -13.381 -5.949 296 HB2 GLU 43 2HB GLU 43 0.079 -15.529 -6.790 297 HB3 GLU 43 1HB GLU 43 1.676 -15.373 -7.509 298 HG2 GLU 43 2HG GLU 43 1.313 -15.570 -4.551 299 HG3 GLU 43 1HG GLU 43 1.358 -17.008 -5.571 300 H ILE 44 H ILE 44 -0.570 -11.805 -6.714 301 HA ILE 44 HA ILE 44 -0.248 -11.672 -9.611 302 HB ILE 44 HB ILE 44 -2.108 -9.886 -9.315 303 HG12 ILE 44 2HG1 ILE 44 -2.821 -11.391 -6.856 304 HG13 ILE 44 1HG1 ILE 44 -1.613 -10.124 -6.710 305 HG21 ILE 44 1HG2 ILE 44 -2.314 -12.217 -10.249 306 HG22 ILE 44 2HG2 ILE 44 -3.783 -11.557 -9.528 307 HG23 ILE 44 3HG2 ILE 44 -2.817 -12.737 -8.636 308 HD11 ILE 44 3HD1 ILE 44 -4.471 -9.896 -7.544 309 HD12 ILE 44 1HD1 ILE 44 -3.296 -8.621 -7.866 310 HD13 ILE 44 2HD1 ILE 44 -3.639 -9.102 -6.206 311 HA PRO 45 HA PRO 45 2.303 -8.087 -9.924 312 HB2 PRO 45 2HB PRO 45 0.040 -6.824 -11.412 313 HB3 PRO 45 1HB PRO 45 1.745 -6.938 -11.856 314 HG2 PRO 45 2HG PRO 45 -0.033 -8.527 -13.008 315 HG3 PRO 45 1HG PRO 45 1.552 -9.162 -12.526 316 HD2 PRO 45 2HD PRO 45 -1.113 -9.533 -11.227 317 HD3 PRO 45 1HD PRO 45 0.241 -10.671 -11.374 318 H ALA 46 H ALA 46 -1.041 -7.637 -8.967 319 HA ALA 46 HA ALA 46 -0.894 -4.971 -8.110 320 HB1 ALA 46 1HB ALA 46 -2.675 -7.085 -6.934 321 HB2 ALA 46 2HB ALA 46 -2.966 -6.328 -8.500 322 HB3 ALA 46 3HB ALA 46 -2.972 -5.348 -7.032 323 H VAL 47 H VAL 47 -0.114 -7.981 -6.418 324 HA VAL 47 HA VAL 47 0.003 -6.871 -3.838 325 HB VAL 47 HB VAL 47 1.760 -9.173 -4.620 326 HG11 VAL 47 1HG1 VAL 47 1.893 -8.340 -2.330 327 HG12 VAL 47 2HG1 VAL 47 1.187 -9.954 -2.374 328 HG13 VAL 47 3HG1 VAL 47 0.151 -8.546 -2.143 329 HG21 VAL 47 3HG2 VAL 47 -1.194 -9.380 -4.065 330 HG22 VAL 47 1HG2 VAL 47 -0.088 -10.690 -4.472 331 HG23 VAL 47 2HG2 VAL 47 -0.482 -9.463 -5.676 332 HA PRO 48 HA PRO 48 4.823 -6.412 -4.475 333 HB2 PRO 48 2HB PRO 48 4.969 -6.187 -7.427 334 HB3 PRO 48 1HB PRO 48 6.064 -7.009 -6.306 335 HG2 PRO 48 2HG PRO 48 4.419 -8.396 -7.880 336 HG3 PRO 48 1HG PRO 48 4.749 -8.917 -6.217 337 HD2 PRO 48 2HD PRO 48 2.355 -7.506 -7.321 338 HD3 PRO 48 1HD PRO 48 2.437 -8.810 -6.127 339 H ILE 49 H ILE 49 2.615 -5.061 -6.853 340 HA ILE 49 HA ILE 49 3.812 -2.517 -7.046 341 HB ILE 49 HB ILE 49 1.183 -3.676 -7.806 342 HG12 ILE 49 2HG1 ILE 49 2.956 -2.010 -9.530 343 HG13 ILE 49 1HG1 ILE 49 3.478 -3.630 -9.085 344 HG21 ILE 49 1HG2 ILE 49 0.653 -1.356 -8.786 345 HG22 ILE 49 2HG2 ILE 49 1.745 -0.758 -7.537 346 HG23 ILE 49 3HG2 ILE 49 0.304 -1.664 -7.087 347 HD11 ILE 49 3HD1 ILE 49 0.790 -3.131 -10.296 348 HD12 ILE 49 1HD1 ILE 49 1.709 -4.633 -10.214 349 HD13 ILE 49 2HD1 ILE 49 2.236 -3.334 -11.285 350 H LEU 50 H LEU 50 1.352 -3.853 -4.898 351 HA LEU 50 HA LEU 50 0.713 -1.340 -3.694 352 HB2 LEU 50 2HB LEU 50 -0.913 -3.105 -3.586 353 HB3 LEU 50 1HB LEU 50 0.231 -4.178 -2.809 354 HG LEU 50 HG LEU 50 0.248 -2.581 -0.853 355 HD11 LEU 50 1HD1 LEU 50 -1.572 -1.017 -0.625 356 HD12 LEU 50 2HD1 LEU 50 -2.197 -1.466 -2.212 357 HD13 LEU 50 3HD1 LEU 50 -0.645 -0.638 -2.077 358 HD21 LEU 50 3HD2 LEU 50 -1.107 -4.736 -1.084 359 HD22 LEU 50 1HD2 LEU 50 -2.497 -3.684 -1.374 360 HD23 LEU 50 2HD2 LEU 50 -1.610 -3.581 0.151 361 H HIS 51 H HIS 51 2.633 -4.148 -2.643 362 HA HIS 51 HA HIS 51 3.617 -3.093 -0.271 363 HB2 HIS 51 2HB HIS 51 4.860 -5.030 -2.228 364 HB3 HIS 51 1HB HIS 51 5.603 -4.625 -0.684 365 HD1 HIS 51 1HD HIS 51 5.235 -6.524 0.841 366 HD2 HIS 51 2HD HIS 51 1.869 -5.733 -1.463 367 HE1 HIS 51 1HE HIS 51 3.482 -8.142 1.634 368 HE2 HIS 51 2HE HIS 51 1.475 -7.689 0.181 369 H SER 52 H SER 52 4.349 -2.321 -3.538 370 HA SER 52 HA SER 52 6.849 -0.993 -2.938 371 HB2 SER 52 2HB SER 52 6.570 -2.080 -5.117 372 HB3 SER 52 1HB SER 52 5.193 -1.040 -5.476 373 HG SER 52 HG SER 52 6.950 -0.114 -6.437 374 H MET 53 H MET 53 3.527 -0.072 -3.799 375 HA MET 53 HA MET 53 3.950 2.704 -3.833 376 HB2 MET 53 2HB MET 53 1.659 2.933 -4.008 377 HB3 MET 53 1HB MET 53 1.883 1.288 -4.581 378 HG2 MET 53 2HG MET 53 0.070 1.105 -3.175 379 HG3 MET 53 1HG MET 53 1.405 0.610 -2.145 380 HE1 MET 53 3HE MET 53 0.165 1.002 0.142 381 HE2 MET 53 1HE MET 53 -1.280 1.286 -0.828 382 HE3 MET 53 2HE MET 53 -0.846 2.413 0.455 383 H VAL 54 H VAL 54 3.630 0.416 -1.290 384 HA VAL 54 HA VAL 54 2.795 1.929 0.861 385 HB VAL 54 HB VAL 54 4.815 -0.299 0.743 386 HG11 VAL 54 1HG1 VAL 54 4.533 -0.542 3.154 387 HG12 VAL 54 2HG1 VAL 54 3.527 0.906 3.181 388 HG13 VAL 54 3HG1 VAL 54 5.230 1.027 2.743 389 HG21 VAL 54 3HG2 VAL 54 2.787 -1.224 0.165 390 HG22 VAL 54 1HG2 VAL 54 1.874 -0.126 1.196 391 HG23 VAL 54 2HG2 VAL 54 2.801 -1.442 1.913 392 H GLN 55 H GLN 55 6.132 1.467 -0.289 393 HA GLN 55 HA GLN 55 7.223 3.306 1.601 394 HB2 GLN 55 2HB GLN 55 8.574 2.449 -0.932 395 HB3 GLN 55 1HB GLN 55 9.289 2.843 0.626 396 HG2 GLN 55 2HG GLN 55 8.398 0.800 1.578 397 HG3 GLN 55 1HG GLN 55 7.613 0.414 0.046 398 HE21 GLN 55 1HE2 GLN 55 10.795 1.839 0.319 399 HE22 GLN 55 2HE2 GLN 55 11.669 0.469 -0.266 400 H LYS 56 H LYS 56 5.500 3.679 -1.244 401 HA LYS 56 HA LYS 56 6.776 6.193 -2.003 402 HB2 LYS 56 2HB LYS 56 4.448 4.723 -3.256 403 HB3 LYS 56 1HB LYS 56 5.241 6.146 -3.916 404 HG2 LYS 56 2HG LYS 56 7.298 4.899 -4.206 405 HG3 LYS 56 1HG LYS 56 6.557 3.473 -3.476 406 HD2 LYS 56 2HD LYS 56 6.438 3.126 -5.805 407 HD3 LYS 56 1HD LYS 56 4.816 3.622 -5.320 408 HE2 LYS 56 2HE LYS 56 5.305 4.838 -7.284 409 HE3 LYS 56 1HE LYS 56 5.491 5.974 -5.949 410 HZ1 LYS 56 3HZ LYS 56 7.879 5.633 -6.036 411 HZ2 LYS 56 1HZ LYS 56 7.299 6.173 -7.532 412 HZ3 LYS 56 2HZ LYS 56 7.703 4.545 -7.317 413 H PHE 57 H PHE 57 4.166 4.982 -0.177 414 HA PHE 57 HA PHE 57 3.164 7.712 0.220 415 HB2 PHE 57 2HB PHE 57 1.577 5.256 -0.448 416 HB3 PHE 57 1HB PHE 57 0.849 6.588 0.445 417 HD1 PHE 57 2HD PHE 57 2.249 5.530 -2.764 418 HD2 PHE 57 1HD PHE 57 0.386 8.695 -0.616 419 HE1 PHE 57 2HE PHE 57 1.803 6.701 -4.882 420 HE2 PHE 57 1HE PHE 57 -0.064 9.871 -2.730 421 HZ PHE 57 HZ PHE 57 0.646 8.874 -4.866 422 HA PRO 58 HA PRO 58 4.309 5.359 4.204 423 HB2 PRO 58 2HB PRO 58 5.350 7.726 5.267 424 HB3 PRO 58 1HB PRO 58 6.294 6.410 4.563 425 HG2 PRO 58 2HG PRO 58 5.370 8.962 3.311 426 HG3 PRO 58 1HG PRO 58 6.924 8.119 3.128 427 HD2 PRO 58 2HD PRO 58 5.090 7.968 1.212 428 HD3 PRO 58 1HD PRO 58 6.019 6.526 1.673 429 H GLY 59 H GLY 59 3.083 8.647 3.631 430 HA2 GLY 59 2HA GLY 59 1.725 8.988 6.053 431 HA3 GLY 59 1HA GLY 59 1.309 9.783 4.539 432 H VAL 60 H VAL 60 0.667 7.571 3.000 433 HA VAL 60 HA VAL 60 -2.018 7.090 3.748 434 HB VAL 60 HB VAL 60 -0.207 5.961 1.628 435 HG11 VAL 60 1HG1 VAL 60 -1.628 4.098 2.299 436 HG12 VAL 60 2HG1 VAL 60 -2.109 4.702 0.714 437 HG13 VAL 60 3HG1 VAL 60 -3.060 5.114 2.140 438 HG21 VAL 60 3HG2 VAL 60 -2.697 7.659 1.593 439 HG22 VAL 60 1HG2 VAL 60 -1.890 7.043 0.149 440 HG23 VAL 60 2HG2 VAL 60 -1.049 8.166 1.218 441 H SER 61 H SER 61 -3.008 5.222 4.563 442 HA SER 61 HA SER 61 -1.290 3.600 6.227 443 HB2 SER 61 2HB SER 61 -3.408 4.390 7.142 444 HB3 SER 61 1HB SER 61 -4.292 3.552 5.869 445 HG SER 61 HG SER 61 -2.606 1.878 7.165 446 H PHE 62 H PHE 62 -0.134 2.216 5.016 447 HA PHE 62 HA PHE 62 -1.103 0.778 2.793 448 HB2 PHE 62 2HB PHE 62 0.949 -0.730 3.377 449 HB3 PHE 62 1HB PHE 62 1.211 0.927 2.839 450 HD1 PHE 62 1HD PHE 62 1.285 -1.336 5.731 451 HD2 PHE 62 2HD PHE 62 2.080 2.599 4.320 452 HE1 PHE 62 1HE PHE 62 2.562 -0.865 7.777 453 HE2 PHE 62 2HE PHE 62 3.359 3.077 6.365 454 HZ PHE 62 HZ PHE 62 3.603 1.344 8.097 455 H GLY 63 H GLY 63 -2.320 -0.975 2.666 456 HA2 GLY 63 2HA GLY 63 -2.353 -2.881 4.884 457 HA3 GLY 63 1HA GLY 63 -3.880 -2.141 4.424 458 H ILE 64 H ILE 64 -3.448 -4.892 4.348 459 HA ILE 64 HA ILE 64 -4.130 -5.402 1.605 460 HB ILE 64 HB ILE 64 -1.514 -5.539 1.942 461 HG12 ILE 64 2HG1 ILE 64 -3.067 -7.646 0.437 462 HG13 ILE 64 1HG1 ILE 64 -2.749 -6.013 -0.134 463 HG21 ILE 64 1HG2 ILE 64 -1.546 -7.101 3.802 464 HG22 ILE 64 2HG2 ILE 64 -0.746 -7.814 2.403 465 HG23 ILE 64 3HG2 ILE 64 -2.393 -8.285 2.809 466 HD11 ILE 64 3HD1 ILE 64 -1.239 -7.586 -1.174 467 HD12 ILE 64 1HD1 ILE 64 -0.690 -8.142 0.408 468 HD13 ILE 64 2HD1 ILE 64 -0.344 -6.493 -0.115 469 H SER 65 H SER 65 -5.391 -7.199 1.386 470 HA SER 65 HA SER 65 -5.675 -8.981 3.691 471 HB2 SER 65 2HB SER 65 -7.355 -7.266 4.075 472 HB3 SER 65 1HB SER 65 -7.966 -7.454 2.432 473 HG SER 65 HG SER 65 -8.959 -8.642 4.399 474 H THR 66 H THR 66 -6.755 -10.961 3.240 475 HA THR 66 HA THR 66 -7.192 -11.605 0.420 476 HB THR 66 HB THR 66 -5.910 -13.704 0.633 477 HG1 THR 66 1HG THR 66 -5.648 -14.188 2.715 478 HG21 THR 66 3HG2 THR 66 -4.891 -11.636 -0.310 479 HG22 THR 66 1HG2 THR 66 -3.722 -12.753 0.398 480 HG23 THR 66 2HG2 THR 66 -4.206 -11.305 1.281 481 H ASP 67 H ASP 67 -8.139 -11.742 3.601 482 HA ASP 67 HA ASP 67 -9.363 -14.288 3.752 483 HB2 ASP 67 2HB ASP 67 -8.849 -12.798 5.707 484 HB3 ASP 67 1HB ASP 67 -10.195 -11.775 5.215 485 H SER 68 H SER 68 -11.452 -14.939 3.368 486 HA SER 68 HA SER 68 -12.786 -13.776 1.188 487 HB2 SER 68 2HB SER 68 -13.895 -15.732 3.216 488 HB3 SER 68 1HB SER 68 -14.532 -15.431 1.599 489 HG SER 68 HG SER 68 -12.349 -16.918 2.396 490 H GLU 69 H GLU 69 -13.645 -13.832 4.646 491 HA GLU 69 HA GLU 69 -16.039 -12.502 4.591 492 HB2 GLU 69 2HB GLU 69 -13.888 -12.073 6.662 493 HB3 GLU 69 1HB GLU 69 -15.616 -11.818 6.866 494 HG2 GLU 69 2HG GLU 69 -16.018 -14.199 6.582 495 HG3 GLU 69 1HG GLU 69 -14.293 -14.468 6.338 496 H VAL 70 H VAL 70 -12.816 -11.004 4.756 497 HA VAL 70 HA VAL 70 -13.815 -8.356 4.752 498 HB VAL 70 HB VAL 70 -11.082 -9.399 4.005 499 HG11 VAL 70 1HG1 VAL 70 -12.030 -6.575 4.439 500 HG12 VAL 70 2HG1 VAL 70 -11.365 -7.263 2.957 501 HG13 VAL 70 3HG1 VAL 70 -10.336 -7.057 4.375 502 HG21 VAL 70 3HG2 VAL 70 -11.323 -9.861 6.259 503 HG22 VAL 70 1HG2 VAL 70 -12.328 -8.439 6.544 504 HG23 VAL 70 2HG2 VAL 70 -10.595 -8.254 6.284 505 H LEU 71 H LEU 71 -12.304 -10.302 2.180 506 HA LEU 71 HA LEU 71 -12.628 -8.460 0.110 507 HB2 LEU 71 2HB LEU 71 -12.279 -11.417 0.248 508 HB3 LEU 71 1HB LEU 71 -12.740 -10.705 -1.286 509 HG LEU 71 HG LEU 71 -10.739 -9.425 -1.407 510 HD11 LEU 71 1HD1 LEU 71 -10.553 -8.682 0.871 511 HD12 LEU 71 2HD1 LEU 71 -9.046 -9.462 0.391 512 HD13 LEU 71 3HD1 LEU 71 -10.195 -10.321 1.416 513 HD21 LEU 71 3HD2 LEU 71 -10.128 -12.206 -0.416 514 HD22 LEU 71 1HD2 LEU 71 -8.997 -11.166 -1.285 515 HD23 LEU 71 2HD2 LEU 71 -10.470 -11.726 -2.080 516 H THR 72 H THR 72 -14.939 -10.233 1.827 517 HA THR 72 HA THR 72 -16.948 -10.152 -0.282 518 HB THR 72 HB THR 72 -17.134 -11.097 2.591 519 HG1 THR 72 1HG THR 72 -17.067 -13.151 1.646 520 HG21 THR 72 3HG2 THR 72 -19.132 -11.122 0.330 521 HG22 THR 72 1HG2 THR 72 -19.316 -10.408 1.932 522 HG23 THR 72 2HG2 THR 72 -19.273 -12.161 1.749 523 H HIS 73 H HIS 73 -16.278 -8.701 2.875 524 HA HIS 73 HA HIS 73 -18.605 -7.173 3.130 525 HB2 HIS 73 2HB HIS 73 -17.046 -7.529 4.983 526 HB3 HIS 73 1HB HIS 73 -15.816 -6.585 4.150 527 HD1 HIS 73 1HD HIS 73 -15.921 -4.066 4.382 528 HD2 HIS 73 2HD HIS 73 -19.230 -5.985 6.002 529 HE1 HIS 73 1HE HIS 73 -17.173 -2.292 5.650 530 HE2 HIS 73 2HE HIS 73 -19.153 -3.483 6.653 531 H TYR 74 H TYR 74 -15.488 -6.414 1.623 532 HA TYR 74 HA TYR 74 -16.464 -3.816 0.763 533 HB2 TYR 74 2HB TYR 74 -13.818 -5.229 0.422 534 HB3 TYR 74 1HB TYR 74 -14.170 -3.667 -0.310 535 HD1 TYR 74 1HD TYR 74 -13.840 -5.435 2.931 536 HD2 TYR 74 2HD TYR 74 -14.039 -1.672 0.954 537 HE1 TYR 74 1HE TYR 74 -13.172 -4.311 5.013 538 HE2 TYR 74 2HE TYR 74 -13.369 -0.539 3.030 539 HH TYR 74 HH TYR 74 -12.134 -2.205 5.720 540 H ASN 75 H ASN 75 -17.319 -6.640 -0.219 541 HA ASN 75 HA ASN 75 -18.062 -7.595 -2.141 542 HB2 ASN 75 2HB ASN 75 -18.104 -4.690 -2.960 543 HB3 ASN 75 1HB ASN 75 -18.815 -5.989 -3.916 544 HD21 ASN 75 1HD2 ASN 75 -19.052 -4.101 -1.014 545 HD22 ASN 75 2HD2 ASN 75 -20.659 -4.571 -0.595 546 H ILE 76 H ILE 76 -15.143 -7.203 -1.788 547 HA ILE 76 HA ILE 76 -13.880 -6.560 -4.208 548 HB ILE 76 HB ILE 76 -12.941 -8.578 -2.170 549 HG12 ILE 76 2HG1 ILE 76 -13.515 -6.465 -1.079 550 HG13 ILE 76 1HG1 ILE 76 -11.777 -6.707 -1.091 551 HG21 ILE 76 1HG2 ILE 76 -10.690 -7.894 -2.944 552 HG22 ILE 76 2HG2 ILE 76 -11.459 -6.947 -4.213 553 HG23 ILE 76 3HG2 ILE 76 -11.651 -8.697 -4.184 554 HD11 ILE 76 3HD1 ILE 76 -12.352 -4.399 -1.574 555 HD12 ILE 76 1HD1 ILE 76 -13.320 -4.917 -2.954 556 HD13 ILE 76 2HD1 ILE 76 -11.573 -5.152 -2.963 557 H THR 77 H THR 77 -13.880 -7.566 -6.118 558 HA THR 77 HA THR 77 -14.145 -10.474 -6.222 559 HB THR 77 HB THR 77 -15.798 -10.254 -8.118 560 HG1 THR 77 1HG THR 77 -16.526 -8.328 -8.633 561 HG21 THR 77 3HG2 THR 77 -16.501 -11.007 -5.917 562 HG22 THR 77 1HG2 THR 77 -17.740 -9.980 -6.636 563 HG23 THR 77 2HG2 THR 77 -16.681 -9.337 -5.382 564 H GLY 78 H GLY 78 -11.785 -9.589 -6.647 565 HA2 GLY 78 2HA GLY 78 -10.816 -10.407 -8.981 566 HA3 GLY 78 1HA GLY 78 -11.395 -8.811 -9.431 567 H ASN 79 H ASN 79 -9.824 -9.905 -6.439 568 HA ASN 79 HA ASN 79 -8.021 -9.085 -5.312 569 HB2 ASN 79 2HB ASN 79 -6.913 -8.767 -8.105 570 HB3 ASN 79 1HB ASN 79 -5.975 -8.872 -6.622 571 HD21 ASN 79 1HD2 ASN 79 -5.706 -10.849 -5.625 572 HD22 ASN 79 2HD2 ASN 79 -6.110 -12.342 -6.393 573 H THR 80 H THR 80 -10.003 -7.245 -5.654 574 HA THR 80 HA THR 80 -9.179 -4.789 -6.802 575 HB THR 80 HB THR 80 -11.287 -5.375 -4.707 576 HG1 THR 80 1HG THR 80 -11.169 -5.650 -7.439 577 HG21 THR 80 3HG2 THR 80 -10.849 -2.897 -6.378 578 HG22 THR 80 1HG2 THR 80 -10.721 -3.023 -4.625 579 HG23 THR 80 2HG2 THR 80 -12.288 -3.220 -5.410 580 H ILE 81 H ILE 81 -8.634 -2.846 -5.788 581 HA ILE 81 HA ILE 81 -7.426 -3.052 -3.101 582 HB ILE 81 HB ILE 81 -6.522 -1.412 -5.480 583 HG12 ILE 81 2HG1 ILE 81 -5.153 -3.603 -3.908 584 HG13 ILE 81 1HG1 ILE 81 -5.809 -3.757 -5.532 585 HG21 ILE 81 1HG2 ILE 81 -5.394 -1.402 -2.683 586 HG22 ILE 81 2HG2 ILE 81 -6.383 -0.121 -3.386 587 HG23 ILE 81 3HG2 ILE 81 -4.796 -0.481 -4.065 588 HD11 ILE 81 3HD1 ILE 81 -3.485 -2.062 -4.667 589 HD12 ILE 81 1HD1 ILE 81 -4.187 -2.046 -6.286 590 HD13 ILE 81 2HD1 ILE 81 -3.437 -3.517 -5.662 591 H CYS 82 H CYS 82 -8.529 -1.849 -1.650 592 HA CYS 82 HA CYS 82 -10.141 0.362 -2.711 593 HB2 CYS 82 2HB CYS 82 -10.493 -1.217 -0.174 594 HB3 CYS 82 1HB CYS 82 -11.504 0.136 -0.658 595 HG CYS 82 HG CYS 82 -11.193 -2.642 -2.615 596 H LEU 83 H LEU 83 -9.894 2.377 -2.082 597 HA LEU 83 HA LEU 83 -7.929 2.955 0.024 598 HB2 LEU 83 2HB LEU 83 -7.088 3.942 -1.888 599 HB3 LEU 83 1HB LEU 83 -8.673 4.310 -2.528 600 HG LEU 83 HG LEU 83 -8.917 6.192 -1.046 601 HD11 LEU 83 1HD1 LEU 83 -7.684 5.100 0.876 602 HD12 LEU 83 2HD1 LEU 83 -7.391 6.822 0.632 603 HD13 LEU 83 3HD1 LEU 83 -6.194 5.640 0.099 604 HD21 LEU 83 3HD2 LEU 83 -7.004 7.581 -1.780 605 HD22 LEU 83 1HD2 LEU 83 -7.738 6.651 -3.085 606 HD23 LEU 83 2HD2 LEU 83 -6.215 6.121 -2.373 607 H PHE 84 H PHE 84 -9.054 3.256 1.882 608 HA PHE 84 HA PHE 84 -11.547 4.785 1.789 609 HB2 PHE 84 2HB PHE 84 -11.191 2.519 3.063 610 HB3 PHE 84 1HB PHE 84 -10.464 3.548 4.293 611 HD1 PHE 84 2HD PHE 84 -11.855 5.441 5.246 612 HD2 PHE 84 1HD PHE 84 -13.506 2.297 2.903 613 HE1 PHE 84 2HE PHE 84 -14.089 5.959 6.135 614 HE2 PHE 84 1HE PHE 84 -15.746 2.808 3.786 615 HZ PHE 84 HZ PHE 84 -16.039 4.642 5.405 616 H ARG 85 H ARG 85 -11.548 6.878 2.270 617 HA ARG 85 HA ARG 85 -9.212 7.988 3.677 618 HB2 ARG 85 2HB ARG 85 -11.129 9.830 2.378 619 HB3 ARG 85 1HB ARG 85 -9.371 9.861 2.409 620 HG2 ARG 85 2HG ARG 85 -9.323 8.056 0.744 621 HG3 ARG 85 1HG ARG 85 -11.091 8.105 0.675 622 HD2 ARG 85 2HD ARG 85 -9.152 10.267 -0.122 623 HD3 ARG 85 1HD ARG 85 -10.266 9.378 -1.163 624 HE ARG 85 HE ARG 85 -11.679 10.765 0.864 625 HH11 ARG 85 1HH1 ARG 85 -9.980 11.245 -2.139 626 HH12 ARG 85 2HH1 ARG 85 -10.866 12.673 -2.561 627 HH21 ARG 85 1HH2 ARG 85 -12.848 12.648 0.320 628 HH22 ARG 85 2HH2 ARG 85 -12.492 13.474 -1.160 629 H LEU 86 H LEU 86 -10.007 7.370 5.719 630 HA LEU 86 HA LEU 86 -12.192 7.528 7.106 631 HB2 LEU 86 2HB LEU 86 -10.339 7.139 8.397 632 HB3 LEU 86 1HB LEU 86 -9.482 8.540 7.786 633 HG LEU 86 HG LEU 86 -10.997 9.990 9.138 634 HD11 LEU 86 1HD1 LEU 86 -12.889 8.489 9.356 635 HD12 LEU 86 2HD1 LEU 86 -12.279 8.935 10.950 636 HD13 LEU 86 3HD1 LEU 86 -11.905 7.348 10.275 637 HD21 LEU 86 3HD2 LEU 86 -9.373 7.920 10.608 638 HD22 LEU 86 1HD2 LEU 86 -9.936 9.444 11.297 639 HD23 LEU 86 2HD2 LEU 86 -8.796 9.455 9.953 640 H VAL 87 H VAL 87 -10.371 10.586 6.769 641 HA VAL 87 HA VAL 87 -12.046 12.336 7.949 642 HB VAL 87 HB VAL 87 -11.398 13.884 5.849 643 HG11 VAL 87 1HG1 VAL 87 -9.498 12.982 8.011 644 HG12 VAL 87 2HG1 VAL 87 -10.740 14.223 8.181 645 HG13 VAL 87 3HG1 VAL 87 -9.381 14.479 7.086 646 HG21 VAL 87 3HG2 VAL 87 -10.476 12.160 4.483 647 HG22 VAL 87 1HG2 VAL 87 -9.482 11.561 5.814 648 HG23 VAL 87 2HG2 VAL 87 -9.136 13.133 5.090 649 H ASP 88 H ASP 88 -12.266 11.744 4.430 650 HA ASP 88 HA ASP 88 -14.964 12.823 4.454 651 HB2 ASP 88 2HB ASP 88 -13.186 13.368 2.690 652 HB3 ASP 88 1HB ASP 88 -13.494 11.758 2.050 653 H ASN 89 H ASN 89 -13.699 9.964 5.174 654 HA ASN 89 HA ASN 89 -14.394 7.806 5.225 655 HB2 ASN 89 2HB ASN 89 -17.124 9.039 4.835 656 HB3 ASN 89 1HB ASN 89 -16.775 7.453 5.519 657 HD21 ASN 89 1HD2 ASN 89 -15.871 7.314 7.584 658 HD22 ASN 89 2HD2 ASN 89 -15.934 8.636 8.693 659 H GLU 90 H GLU 90 -13.796 9.037 2.563 660 HA GLU 90 HA GLU 90 -15.564 7.919 0.640 661 HB2 GLU 90 2HB GLU 90 -12.699 8.842 0.440 662 HB3 GLU 90 1HB GLU 90 -13.620 8.266 -0.939 663 HG2 GLU 90 2HG GLU 90 -14.455 10.574 0.785 664 HG3 GLU 90 1HG GLU 90 -13.514 10.734 -0.695 665 H GLN 91 H GLN 91 -15.076 6.193 -0.849 666 HA GLN 91 HA GLN 91 -13.144 4.213 0.072 667 HB2 GLN 91 2HB GLN 91 -15.255 3.620 1.187 668 HB3 GLN 91 1HB GLN 91 -16.065 3.568 -0.373 669 HG2 GLN 91 2HG GLN 91 -13.666 1.867 -0.048 670 HG3 GLN 91 1HG GLN 91 -15.118 1.398 0.840 671 HE21 GLN 91 1HE2 GLN 91 -13.741 0.098 -1.399 672 HE22 GLN 91 2HE2 GLN 91 -14.925 -0.074 -2.645 673 H LEU 92 H LEU 92 -11.958 4.612 -1.771 674 HA LEU 92 HA LEU 92 -13.143 4.416 -4.388 675 HB2 LEU 92 2HB LEU 92 -10.237 4.505 -3.555 676 HB3 LEU 92 1HB LEU 92 -10.822 4.639 -5.201 677 HG LEU 92 HG LEU 92 -10.249 6.828 -4.480 678 HD11 LEU 92 1HD1 LEU 92 -12.277 6.751 -5.782 679 HD12 LEU 92 2HD1 LEU 92 -12.389 8.024 -4.566 680 HD13 LEU 92 3HD1 LEU 92 -13.238 6.498 -4.324 681 HD21 LEU 92 3HD2 LEU 92 -10.929 7.865 -2.476 682 HD22 LEU 92 1HD2 LEU 92 -10.354 6.260 -2.025 683 HD23 LEU 92 2HD2 LEU 92 -12.085 6.585 -2.113 684 H ASN 93 H ASN 93 -12.977 2.654 -5.802 685 HA ASN 93 HA ASN 93 -11.824 0.221 -4.610 686 HB2 ASN 93 2HB ASN 93 -13.713 -0.924 -6.042 687 HB3 ASN 93 1HB ASN 93 -14.051 -0.302 -4.432 688 HD21 ASN 93 1HD2 ASN 93 -14.482 0.171 -7.843 689 HD22 ASN 93 2HD2 ASN 93 -15.735 1.355 -7.730 690 H LEU 94 H LEU 94 -9.956 0.193 -5.732 691 HA LEU 94 HA LEU 94 -9.892 0.381 -8.612 692 HB2 LEU 94 2HB LEU 94 -8.059 1.063 -6.886 693 HB3 LEU 94 1HB LEU 94 -7.668 -0.644 -6.860 694 HG LEU 94 HG LEU 94 -7.758 0.707 -9.505 695 HD11 LEU 94 1HD1 LEU 94 -5.500 1.009 -7.526 696 HD12 LEU 94 2HD1 LEU 94 -6.529 2.305 -8.139 697 HD13 LEU 94 3HD1 LEU 94 -5.436 1.454 -9.231 698 HD21 LEU 94 3HD2 LEU 94 -5.896 -0.848 -9.912 699 HD22 LEU 94 1HD2 LEU 94 -7.353 -1.675 -9.365 700 HD23 LEU 94 2HD2 LEU 94 -6.019 -1.408 -8.244 701 H GLU 95 H GLU 95 -11.443 -1.322 -8.973 702 HA GLU 95 HA GLU 95 -10.875 -4.006 -8.117 703 HB2 GLU 95 2HB GLU 95 -12.932 -3.085 -10.117 704 HB3 GLU 95 1HB GLU 95 -12.905 -4.611 -9.243 705 HG2 GLU 95 2HG GLU 95 -13.341 -3.522 -7.175 706 HG3 GLU 95 1HG GLU 95 -13.133 -1.932 -7.908 707 H ASP 96 H ASP 96 -11.682 -5.509 -10.250 708 HA ASP 96 HA ASP 96 -9.335 -6.152 -11.534 709 HB2 ASP 96 2HB ASP 96 -11.190 -7.694 -11.456 710 HB3 ASP 96 1HB ASP 96 -12.180 -6.619 -12.440 711 H GLU 97 H GLU 97 -11.847 -3.911 -12.609 712 HA GLU 97 HA GLU 97 -11.013 -3.515 -15.231 713 HB2 GLU 97 2HB GLU 97 -12.037 -1.229 -14.988 714 HB3 GLU 97 1HB GLU 97 -13.083 -2.562 -14.517 715 HG2 GLU 97 2HG GLU 97 -12.567 -2.138 -12.169 716 HG3 GLU 97 1HG GLU 97 -11.520 -0.801 -12.642 717 H ASP 98 H ASP 98 -9.419 -2.801 -12.354 718 HA ASP 98 HA ASP 98 -7.424 -1.192 -13.784 719 HB2 ASP 98 2HB ASP 98 -8.406 -0.774 -10.948 720 HB3 ASP 98 1HB ASP 98 -7.036 0.068 -11.675 721 H ILE 99 H ILE 99 -8.091 -3.919 -11.872 722 HA ILE 99 HA ILE 99 -5.393 -4.183 -10.812 723 HB ILE 99 HB ILE 99 -7.832 -5.951 -10.559 724 HG12 ILE 99 2HG1 ILE 99 -7.786 -3.747 -9.357 725 HG13 ILE 99 1HG1 ILE 99 -7.986 -5.156 -8.327 726 HG21 ILE 99 1HG2 ILE 99 -5.071 -6.308 -9.410 727 HG22 ILE 99 2HG2 ILE 99 -5.959 -7.418 -10.458 728 HG23 ILE 99 3HG2 ILE 99 -6.501 -7.140 -8.801 729 HD11 ILE 99 3HD1 ILE 99 -5.585 -5.036 -7.771 730 HD12 ILE 99 1HD1 ILE 99 -6.486 -3.596 -7.296 731 HD13 ILE 99 2HD1 ILE 99 -5.468 -3.564 -8.736 732 H GLU 100 H GLU 100 -7.276 -5.229 -13.498 733 HA GLU 100 HA GLU 100 -6.063 -7.632 -14.190 734 HB2 GLU 100 2HB GLU 100 -8.063 -6.707 -15.308 735 HB3 GLU 100 1HB GLU 100 -7.062 -5.471 -16.057 736 HG2 GLU 100 2HG GLU 100 -5.852 -7.143 -17.302 737 HG3 GLU 100 1HG GLU 100 -6.731 -8.431 -16.480 738 H SER 101 H SER 101 -5.188 -4.338 -15.208 739 HA SER 101 HA SER 101 -2.489 -5.347 -15.823 740 HB2 SER 101 2HB SER 101 -2.329 -3.599 -17.559 741 HB3 SER 101 1HB SER 101 -3.671 -4.698 -17.880 742 HG SER 101 HG SER 101 -3.776 -2.073 -16.823 743 H ILE 102 H ILE 102 -3.299 -4.466 -13.280 744 HA ILE 102 HA ILE 102 -2.811 -1.776 -12.719 745 HB ILE 102 HB ILE 102 -3.809 -3.287 -11.079 746 HG12 ILE 102 2HG1 ILE 102 -2.339 -2.605 -9.098 747 HG13 ILE 102 1HG1 ILE 102 -1.252 -1.896 -10.286 748 HG21 ILE 102 1HG2 ILE 102 -1.064 -4.537 -11.012 749 HG22 ILE 102 2HG2 ILE 102 -2.589 -5.308 -11.451 750 HG23 ILE 102 3HG2 ILE 102 -2.300 -4.809 -9.785 751 HD11 ILE 102 3HD1 ILE 102 -4.111 -1.128 -9.794 752 HD12 ILE 102 1HD1 ILE 102 -3.096 -0.467 -11.074 753 HD13 ILE 102 2HD1 ILE 102 -2.674 -0.195 -9.383 754 H ASP 103 H ASP 103 -1.023 -0.623 -12.174 755 HA ASP 103 HA ASP 103 1.583 -1.955 -12.239 756 HB2 ASP 103 2HB ASP 103 0.976 0.596 -13.744 757 HB3 ASP 103 1HB ASP 103 2.527 -0.233 -13.669 758 H ALA 104 H ALA 104 3.223 -0.849 -11.035 759 HA ALA 104 HA ALA 104 2.443 0.261 -8.653 760 HB1 ALA 104 1HB ALA 104 4.678 -0.567 -9.009 761 HB2 ALA 104 2HB ALA 104 4.736 1.092 -8.409 762 HB3 ALA 104 3HB ALA 104 5.024 0.761 -10.120 763 H THR 105 H THR 105 3.076 1.884 -11.697 764 HA THR 105 HA THR 105 2.947 4.541 -10.776 765 HB THR 105 HB THR 105 2.189 3.430 -13.485 766 HG1 THR 105 1HG THR 105 4.549 3.670 -12.285 767 HG21 THR 105 3HG2 THR 105 2.645 5.770 -14.243 768 HG22 THR 105 1HG2 THR 105 2.686 6.248 -12.545 769 HG23 THR 105 2HG2 THR 105 1.203 5.591 -13.241 770 H LYS 106 H LYS 106 0.465 2.388 -12.120 771 HA LYS 106 HA LYS 106 -1.679 4.176 -12.045 772 HB2 LYS 106 2HB LYS 106 -1.726 1.165 -11.721 773 HB3 LYS 106 1HB LYS 106 -3.112 2.172 -12.121 774 HG2 LYS 106 2HG LYS 106 -2.132 2.785 -14.225 775 HG3 LYS 106 1HG LYS 106 -0.635 1.944 -13.817 776 HD2 LYS 106 2HD LYS 106 -1.861 0.514 -15.273 777 HD3 LYS 106 1HD LYS 106 -1.999 -0.169 -13.653 778 HE2 LYS 106 2HE LYS 106 -4.201 0.907 -13.414 779 HE3 LYS 106 1HE LYS 106 -4.064 1.521 -15.060 780 HZ1 LYS 106 3HZ LYS 106 -4.140 -1.341 -14.266 781 HZ2 LYS 106 1HZ LYS 106 -3.959 -0.772 -15.850 782 HZ3 LYS 106 2HZ LYS 106 -5.393 -0.478 -15.004 783 H LEU 107 H LEU 107 -0.956 1.569 -9.687 784 HA LEU 107 HA LEU 107 -2.873 2.177 -7.808 785 HB2 LEU 107 2HB LEU 107 -0.718 0.461 -7.925 786 HB3 LEU 107 1HB LEU 107 -0.273 1.531 -6.613 787 HG LEU 107 HG LEU 107 -2.526 -0.426 -6.769 788 HD11 LEU 107 1HD1 LEU 107 -1.721 -0.872 -4.437 789 HD12 LEU 107 2HD1 LEU 107 -0.407 0.267 -4.746 790 HD13 LEU 107 3HD1 LEU 107 -0.548 -1.203 -5.708 791 HD21 LEU 107 3HD2 LEU 107 -2.467 2.002 -4.980 792 HD22 LEU 107 1HD2 LEU 107 -3.520 0.605 -4.745 793 HD23 LEU 107 2HD2 LEU 107 -3.687 1.602 -6.189 794 H SER 108 H SER 108 0.485 3.362 -7.855 795 HA SER 108 HA SER 108 0.259 5.138 -5.710 796 HB2 SER 108 2HB SER 108 2.057 5.278 -8.139 797 HB3 SER 108 1HB SER 108 2.271 6.233 -6.670 798 HG SER 108 HG SER 108 2.736 4.398 -5.544 799 H ARG 109 H ARG 109 -0.698 5.432 -9.039 800 HA ARG 109 HA ARG 109 -0.988 8.256 -9.060 801 HB2 ARG 109 2HB ARG 109 -0.729 6.850 -11.106 802 HB3 ARG 109 1HB ARG 109 -2.338 6.213 -10.832 803 HG2 ARG 109 2HG ARG 109 -1.881 9.156 -11.119 804 HG3 ARG 109 1HG ARG 109 -2.026 8.111 -12.534 805 HD2 ARG 109 2HD ARG 109 -4.200 7.292 -11.570 806 HD3 ARG 109 1HD ARG 109 -4.062 8.572 -10.359 807 HE ARG 109 HE ARG 109 -3.807 9.876 -12.738 808 HH11 ARG 109 1HH1 ARG 109 -6.189 7.719 -11.385 809 HH12 ARG 109 2HH1 ARG 109 -7.509 8.429 -12.249 810 HH21 ARG 109 1HH2 ARG 109 -5.544 10.817 -13.878 811 HH22 ARG 109 2HH2 ARG 109 -7.145 10.188 -13.667 812 H PHE 110 H PHE 110 -3.488 5.726 -9.238 813 HA PHE 110 HA PHE 110 -5.721 7.177 -8.723 814 HB2 PHE 110 2HB PHE 110 -4.952 4.396 -7.877 815 HB3 PHE 110 1HB PHE 110 -6.500 5.076 -7.383 816 HD1 PHE 110 2HD PHE 110 -4.483 3.958 -10.236 817 HD2 PHE 110 1HD PHE 110 -8.275 5.398 -8.952 818 HE1 PHE 110 2HE PHE 110 -5.457 3.309 -12.400 819 HE2 PHE 110 1HE PHE 110 -9.257 4.749 -11.111 820 HZ PHE 110 HZ PHE 110 -7.847 3.706 -12.840 821 H ILE 111 H ILE 111 -3.434 5.929 -6.320 822 HA ILE 111 HA ILE 111 -4.781 6.892 -4.041 823 HB ILE 111 HB ILE 111 -1.829 6.389 -4.482 824 HG12 ILE 111 2HG1 ILE 111 -3.872 4.720 -3.009 825 HG13 ILE 111 1HG1 ILE 111 -3.436 4.459 -4.690 826 HG21 ILE 111 1HG2 ILE 111 -2.157 7.945 -2.640 827 HG22 ILE 111 2HG2 ILE 111 -1.640 6.365 -2.043 828 HG23 ILE 111 3HG2 ILE 111 -3.331 6.846 -1.909 829 HD11 ILE 111 3HD1 ILE 111 -1.124 4.040 -4.017 830 HD12 ILE 111 1HD1 ILE 111 -2.253 2.925 -3.249 831 HD13 ILE 111 2HD1 ILE 111 -1.585 4.275 -2.331 832 H GLU 112 H GLU 112 -1.982 8.231 -5.792 833 HA GLU 112 HA GLU 112 -1.742 10.636 -4.455 834 HB2 GLU 112 2HB GLU 112 -0.189 9.723 -6.209 835 HB3 GLU 112 1HB GLU 112 -1.354 10.231 -7.427 836 HG2 GLU 112 2HG GLU 112 -0.373 12.256 -5.492 837 HG3 GLU 112 1HG GLU 112 0.718 11.718 -6.767 838 H ILE 113 H ILE 113 -4.183 9.555 -6.570 839 HA ILE 113 HA ILE 113 -5.154 12.181 -7.275 840 HB ILE 113 HB ILE 113 -5.653 9.425 -8.127 841 HG12 ILE 113 2HG1 ILE 113 -5.928 10.509 -10.301 842 HG13 ILE 113 1HG1 ILE 113 -5.952 12.089 -9.522 843 HG21 ILE 113 1HG2 ILE 113 -7.952 11.360 -8.038 844 HG22 ILE 113 2HG2 ILE 113 -7.849 9.775 -7.268 845 HG23 ILE 113 3HG2 ILE 113 -7.903 9.898 -9.025 846 HD11 ILE 113 3HD1 ILE 113 -3.655 11.809 -8.823 847 HD12 ILE 113 1HD1 ILE 113 -3.796 11.579 -10.566 848 HD13 ILE 113 2HD1 ILE 113 -3.624 10.181 -9.503 849 H ASN 114 H ASN 114 -6.111 9.520 -5.122 850 HA ASN 114 HA ASN 114 -8.141 11.331 -3.989 851 HB2 ASN 114 2HB ASN 114 -8.253 8.322 -4.249 852 HB3 ASN 114 1HB ASN 114 -9.400 9.282 -3.317 853 HD21 ASN 114 1HD2 ASN 114 -9.685 7.581 -5.750 854 HD22 ASN 114 2HD2 ASN 114 -10.468 8.595 -6.909 855 H SER 115 H SER 115 -5.314 10.994 -3.199 856 HA SER 115 HA SER 115 -5.405 9.623 -0.662 857 HB2 SER 115 2HB SER 115 -3.088 10.441 -0.396 858 HB3 SER 115 1HB SER 115 -3.324 9.653 -1.957 859 HG SER 115 HG SER 115 -2.295 11.960 -1.642 860 H LEU 116 H LEU 116 -7.418 11.369 -0.600 861 HA LEU 116 HA LEU 116 -6.514 13.777 0.782 862 HB2 LEU 116 2HB LEU 116 -9.294 12.965 -0.053 863 HB3 LEU 116 1HB LEU 116 -8.822 14.525 0.596 864 HG LEU 116 HG LEU 116 -7.977 13.372 -2.062 865 HD11 LEU 116 1HD1 LEU 116 -10.311 14.144 -1.954 866 HD12 LEU 116 2HD1 LEU 116 -9.321 15.141 -3.020 867 HD13 LEU 116 3HD1 LEU 116 -9.746 15.724 -1.411 868 HD21 LEU 116 3HD2 LEU 116 -6.186 14.708 -1.093 869 HD22 LEU 116 1HD2 LEU 116 -7.315 16.031 -0.799 870 HD23 LEU 116 2HD2 LEU 116 -6.928 15.553 -2.453 Start of MODEL 3 1 H GLU 1 H GLU 1 16.975 6.046 4.757 2 HA GLU 1 HA GLU 1 15.639 8.168 6.076 3 HB2 GLU 1 2HB GLU 1 17.874 9.195 6.211 4 HB3 GLU 1 1HB GLU 1 18.032 9.079 4.464 5 HG2 GLU 1 2HG GLU 1 16.090 10.577 4.221 6 HG3 GLU 1 1HG GLU 1 16.025 10.738 5.976 7 H VAL 2 H VAL 2 17.272 7.788 2.925 8 HA VAL 2 HA VAL 2 14.672 8.218 1.619 9 HB VAL 2 HB VAL 2 15.984 8.682 -0.435 10 HG11 VAL 2 1HG1 VAL 2 16.823 10.874 0.277 11 HG12 VAL 2 2HG1 VAL 2 16.713 10.364 1.961 12 HG13 VAL 2 3HG1 VAL 2 15.249 10.514 0.989 13 HG21 VAL 2 3HG2 VAL 2 17.978 7.390 0.057 14 HG22 VAL 2 1HG2 VAL 2 18.356 8.448 1.417 15 HG23 VAL 2 2HG2 VAL 2 18.408 9.076 -0.230 16 H GLU 3 H GLU 3 17.495 6.086 1.658 17 HA GLU 3 HA GLU 3 17.866 4.005 0.808 18 HB2 GLU 3 2HB GLU 3 14.893 3.721 1.279 19 HB3 GLU 3 1HB GLU 3 16.037 2.400 1.088 20 HG2 GLU 3 2HG GLU 3 17.200 3.145 3.124 21 HG3 GLU 3 1HG GLU 3 15.990 4.412 3.324 22 H LYS 4 H LYS 4 18.410 4.710 -1.292 23 HA LYS 4 HA LYS 4 16.301 4.675 -3.311 24 HB2 LYS 4 2HB LYS 4 19.233 5.376 -3.554 25 HB3 LYS 4 1HB LYS 4 18.038 5.531 -4.833 26 HG2 LYS 4 2HG LYS 4 17.955 7.008 -2.211 27 HG3 LYS 4 1HG LYS 4 18.563 7.668 -3.730 28 HD2 LYS 4 2HD LYS 4 15.757 6.646 -3.304 29 HD3 LYS 4 1HD LYS 4 16.228 8.343 -3.217 30 HE2 LYS 4 2HE LYS 4 16.487 6.547 -5.627 31 HE3 LYS 4 1HE LYS 4 15.272 7.803 -5.397 32 HZ1 LYS 4 3HZ LYS 4 17.047 9.448 -5.337 33 HZ2 LYS 4 1HZ LYS 4 17.081 8.579 -6.789 34 HZ3 LYS 4 2HZ LYS 4 18.207 8.240 -5.572 35 H SER 5 H SER 5 19.553 3.254 -2.913 36 HA SER 5 HA SER 5 18.840 1.151 -4.806 37 HB2 SER 5 2HB SER 5 21.024 2.302 -5.039 38 HB3 SER 5 1HB SER 5 21.490 1.701 -3.449 39 HG SER 5 HG SER 5 20.591 -0.246 -5.162 40 H SER 6 H SER 6 17.616 1.248 -2.169 41 HA SER 6 HA SER 6 17.061 -0.115 -0.440 42 HB2 SER 6 2HB SER 6 18.291 -2.227 -2.226 43 HB3 SER 6 1HB SER 6 17.260 -2.549 -0.833 44 HG SER 6 HG SER 6 15.875 -2.550 -2.501 45 H ASP 7 H ASP 7 18.803 1.125 0.698 46 HA ASP 7 HA ASP 7 21.263 -0.312 1.214 47 HB2 ASP 7 2HB ASP 7 20.193 2.234 2.452 48 HB3 ASP 7 1HB ASP 7 21.821 1.592 2.663 49 H GLY 8 H GLY 8 18.279 -0.924 2.156 50 HA2 GLY 8 2HA GLY 8 18.911 -1.368 4.994 51 HA3 GLY 8 1HA GLY 8 17.299 -1.381 4.293 52 HA PRO 9 HA PRO 9 18.805 -5.782 4.976 53 HB2 PRO 9 2HB PRO 9 16.018 -6.067 5.922 54 HB3 PRO 9 1HB PRO 9 17.520 -6.619 6.668 55 HG2 PRO 9 2HG PRO 9 16.159 -4.549 7.669 56 HG3 PRO 9 1HG PRO 9 17.932 -4.574 7.667 57 HD2 PRO 9 2HD PRO 9 16.054 -3.119 5.845 58 HD3 PRO 9 1HD PRO 9 17.587 -2.568 6.558 59 H GLY 10 H GLY 10 15.810 -4.428 3.682 60 HA2 GLY 10 2HA GLY 10 15.447 -4.950 1.273 61 HA3 GLY 10 1HA GLY 10 15.768 -6.624 1.703 62 H ALA 11 H ALA 11 13.691 -4.015 2.982 63 HA ALA 11 HA ALA 11 11.276 -5.344 2.306 64 HB1 ALA 11 1HB ALA 11 11.968 -6.823 4.138 65 HB2 ALA 11 2HB ALA 11 10.499 -5.931 4.537 66 HB3 ALA 11 3HB ALA 11 12.048 -5.435 5.223 67 H ALA 12 H ALA 12 12.757 -3.188 4.701 68 HA ALA 12 HA ALA 12 12.323 -1.053 5.322 69 HB1 ALA 12 1HB ALA 12 12.348 -0.812 2.781 70 HB2 ALA 12 2HB ALA 12 11.580 0.473 3.717 71 HB3 ALA 12 3HB ALA 12 10.589 -0.734 2.897 72 H GLN 13 H GLN 13 9.226 -1.634 3.679 73 HA GLN 13 HA GLN 13 7.852 -2.058 6.180 74 HB2 GLN 13 2HB GLN 13 6.337 -0.110 5.886 75 HB3 GLN 13 1HB GLN 13 7.996 0.345 6.247 76 HG2 GLN 13 2HG GLN 13 8.369 0.786 3.852 77 HG3 GLN 13 1HG GLN 13 6.676 0.398 3.540 78 HE21 GLN 13 1HE2 GLN 13 6.243 2.451 2.745 79 HE22 GLN 13 2HE2 GLN 13 6.142 3.839 3.771 80 H GLU 14 H GLU 14 6.109 -3.302 5.883 81 HA GLU 14 HA GLU 14 5.120 -3.630 3.127 82 HB2 GLU 14 2HB GLU 14 4.646 -5.922 3.609 83 HB3 GLU 14 1HB GLU 14 6.284 -5.609 4.165 84 HG2 GLU 14 2HG GLU 14 5.393 -5.330 6.461 85 HG3 GLU 14 1HG GLU 14 3.805 -5.799 5.855 86 HA PRO 15 HA PRO 15 1.085 -2.355 4.340 87 HB2 PRO 15 2HB PRO 15 -0.513 -4.126 3.000 88 HB3 PRO 15 1HB PRO 15 0.296 -2.754 2.239 89 HG2 PRO 15 2HG PRO 15 1.081 -5.631 2.284 90 HG3 PRO 15 1HG PRO 15 1.178 -4.458 0.958 91 HD2 PRO 15 2HD PRO 15 3.331 -5.180 2.429 92 HD3 PRO 15 1HD PRO 15 3.149 -3.558 1.730 93 H THR 16 H THR 16 -0.380 -2.689 5.921 94 HA THR 16 HA THR 16 0.036 -4.643 7.861 95 HB THR 16 HB THR 16 -2.566 -3.169 7.425 96 HG1 THR 16 1HG THR 16 -0.464 -1.903 7.512 97 HG21 THR 16 3HG2 THR 16 -2.734 -3.321 9.869 98 HG22 THR 16 1HG2 THR 16 -1.227 -4.233 9.914 99 HG23 THR 16 2HG2 THR 16 -2.648 -4.918 9.127 100 H TRP 17 H TRP 17 -1.243 -6.415 8.549 101 HA TRP 17 HA TRP 17 -2.525 -7.829 6.328 102 HB2 TRP 17 2HB TRP 17 -1.413 -8.794 8.966 103 HB3 TRP 17 1HB TRP 17 -2.297 -9.830 7.851 104 HD1 TRP 17 HD TRP 17 1.091 -8.216 8.386 105 HE1 TRP 17 1HE TRP 17 2.736 -9.105 6.616 106 HE3 TRP 17 3HE TRP 17 -2.215 -10.702 5.381 107 HZ2 TRP 17 2HZ TRP 17 2.642 -10.653 4.255 108 HZ3 TRP 17 3HZ TRP 17 -1.356 -11.860 3.387 109 HH2 TRP 17 HH TRP 17 1.023 -11.835 2.836 110 H LEU 18 H LEU 18 -4.576 -7.000 6.306 111 HA LEU 18 HA LEU 18 -6.162 -6.969 8.751 112 HB2 LEU 18 2HB LEU 18 -6.996 -6.244 5.945 113 HB3 LEU 18 1HB LEU 18 -7.836 -5.846 7.431 114 HG LEU 18 HG LEU 18 -5.113 -4.801 6.667 115 HD11 LEU 18 1HD1 LEU 18 -6.827 -3.928 5.188 116 HD12 LEU 18 2HD1 LEU 18 -6.241 -2.676 6.282 117 HD13 LEU 18 3HD1 LEU 18 -7.798 -3.447 6.579 118 HD21 LEU 18 3HD2 LEU 18 -6.945 -4.228 8.983 119 HD22 LEU 18 1HD2 LEU 18 -5.594 -3.188 8.528 120 HD23 LEU 18 2HD2 LEU 18 -5.296 -4.851 9.032 121 H THR 19 H THR 19 -5.932 -9.358 8.900 122 HA THR 19 HA THR 19 -7.159 -11.066 6.995 123 HB THR 19 HB THR 19 -6.992 -12.810 8.739 124 HG1 THR 19 1HG THR 19 -6.774 -12.246 10.765 125 HG21 THR 19 3HG2 THR 19 -5.065 -12.347 7.315 126 HG22 THR 19 1HG2 THR 19 -4.542 -12.784 8.941 127 HG23 THR 19 2HG2 THR 19 -4.524 -11.095 8.433 128 H ASP 20 H ASP 20 -8.539 -8.938 9.191 129 HA ASP 20 HA ASP 20 -11.093 -10.351 8.956 130 HB2 ASP 20 2HB ASP 20 -9.855 -9.358 11.513 131 HB3 ASP 20 1HB ASP 20 -11.597 -9.561 11.350 132 H VAL 21 H VAL 21 -12.920 -9.082 8.919 133 HA VAL 21 HA VAL 21 -12.756 -6.616 7.670 134 HB VAL 21 HB VAL 21 -15.086 -7.537 9.356 135 HG11 VAL 21 1HG1 VAL 21 -15.247 -5.230 8.601 136 HG12 VAL 21 2HG1 VAL 21 -16.420 -6.243 7.759 137 HG13 VAL 21 3HG1 VAL 21 -14.942 -5.738 6.939 138 HG21 VAL 21 3HG2 VAL 21 -15.928 -8.581 7.276 139 HG22 VAL 21 1HG2 VAL 21 -14.461 -9.345 7.892 140 HG23 VAL 21 2HG2 VAL 21 -14.372 -8.247 6.515 141 HA PRO 22 HA PRO 22 -13.776 -4.567 12.018 142 HB2 PRO 22 2HB PRO 22 -12.565 -5.930 14.098 143 HB3 PRO 22 1HB PRO 22 -14.284 -6.017 13.700 144 HG2 PRO 22 2HG PRO 22 -12.072 -7.892 12.971 145 HG3 PRO 22 1HG PRO 22 -13.726 -8.260 13.497 146 HD2 PRO 22 2HD PRO 22 -13.037 -8.418 10.926 147 HD3 PRO 22 1HD PRO 22 -14.627 -7.788 11.404 148 H ALA 23 H ALA 23 -10.794 -6.514 11.820 149 HA ALA 23 HA ALA 23 -9.104 -4.540 12.910 150 HB1 ALA 23 1HB ALA 23 -7.266 -5.877 12.105 151 HB2 ALA 23 2HB ALA 23 -8.331 -6.737 10.993 152 HB3 ALA 23 3HB ALA 23 -8.517 -6.949 12.734 153 H ALA 24 H ALA 24 -10.173 -5.273 9.679 154 HA ALA 24 HA ALA 24 -8.425 -3.586 8.252 155 HB1 ALA 24 1HB ALA 24 -9.688 -5.245 7.068 156 HB2 ALA 24 2HB ALA 24 -10.196 -3.660 6.476 157 HB3 ALA 24 3HB ALA 24 -11.217 -4.548 7.609 158 H MET 25 H MET 25 -11.818 -3.056 9.187 159 HA MET 25 HA MET 25 -11.957 -0.358 8.475 160 HB2 MET 25 2HB MET 25 -13.534 -1.734 10.653 161 HB3 MET 25 1HB MET 25 -13.996 -0.281 9.775 162 HG2 MET 25 2HG MET 25 -14.065 -1.621 7.694 163 HG3 MET 25 1HG MET 25 -13.740 -3.060 8.654 164 HE1 MET 25 3HE MET 25 -16.357 -0.297 7.707 165 HE2 MET 25 1HE MET 25 -15.970 0.089 9.383 166 HE3 MET 25 2HE MET 25 -17.574 -0.515 8.965 167 H GLU 26 H GLU 26 -10.673 -1.911 11.320 168 HA GLU 26 HA GLU 26 -10.696 0.404 12.987 169 HB2 GLU 26 2HB GLU 26 -9.340 -2.262 13.107 170 HB3 GLU 26 1HB GLU 26 -8.824 -0.979 14.194 171 HG2 GLU 26 2HG GLU 26 -11.225 -0.765 14.903 172 HG3 GLU 26 1HG GLU 26 -11.536 -2.243 13.993 173 H PHE 27 H PHE 27 -8.147 -1.192 11.085 174 HA PHE 27 HA PHE 27 -6.135 0.669 11.645 175 HB2 PHE 27 2HB PHE 27 -6.560 -1.423 9.588 176 HB3 PHE 27 1HB PHE 27 -5.385 -0.171 9.198 177 HD1 PHE 27 1HD PHE 27 -3.383 0.128 10.580 178 HD2 PHE 27 2HD PHE 27 -6.120 -3.054 11.283 179 HE1 PHE 27 1HE PHE 27 -1.694 -1.017 11.955 180 HE2 PHE 27 2HE PHE 27 -4.436 -4.204 12.658 181 HZ PHE 27 HZ PHE 27 -2.220 -3.186 12.998 182 H ILE 28 H ILE 28 -8.748 0.672 9.318 183 HA ILE 28 HA ILE 28 -7.810 2.964 7.870 184 HB ILE 28 HB ILE 28 -10.469 1.556 7.995 185 HG12 ILE 28 2HG1 ILE 28 -8.711 2.025 5.593 186 HG13 ILE 28 1HG1 ILE 28 -8.420 0.680 6.697 187 HG21 ILE 28 1HG2 ILE 28 -11.010 3.889 7.727 188 HG22 ILE 28 2HG2 ILE 28 -11.235 3.066 6.188 189 HG23 ILE 28 3HG2 ILE 28 -9.805 4.060 6.454 190 HD11 ILE 28 3HD1 ILE 28 -11.070 1.130 5.360 191 HD12 ILE 28 1HD1 ILE 28 -10.480 -0.327 6.162 192 HD13 ILE 28 2HD1 ILE 28 -9.776 0.182 4.627 193 H ALA 29 H ALA 29 -10.010 2.389 10.555 194 HA ALA 29 HA ALA 29 -10.951 5.072 10.752 195 HB1 ALA 29 1HB ALA 29 -11.010 2.813 12.754 196 HB2 ALA 29 2HB ALA 29 -12.281 3.239 11.607 197 HB3 ALA 29 3HB ALA 29 -11.874 4.344 12.920 198 H ALA 30 H ALA 30 -8.099 3.465 11.755 199 HA ALA 30 HA ALA 30 -7.501 5.464 13.805 200 HB1 ALA 30 1HB ALA 30 -7.062 3.134 14.356 201 HB2 ALA 30 2HB ALA 30 -5.564 4.066 14.327 202 HB3 ALA 30 3HB ALA 30 -5.970 3.005 12.978 203 H THR 31 H THR 31 -7.584 6.060 10.885 204 HA THR 31 HA THR 31 -5.264 7.699 10.774 205 HB THR 31 HB THR 31 -4.187 5.573 10.183 206 HG1 THR 31 1HG THR 31 -3.575 6.360 7.919 207 HG21 THR 31 3HG2 THR 31 -4.849 4.218 8.426 208 HG22 THR 31 1HG2 THR 31 -5.776 5.503 7.651 209 HG23 THR 31 2HG2 THR 31 -6.394 4.725 9.107 210 H GLU 32 H GLU 32 -5.300 9.166 9.020 211 HA GLU 32 HA GLU 32 -7.863 9.874 8.098 212 HB2 GLU 32 2HB GLU 32 -5.710 11.304 8.352 213 HB3 GLU 32 1HB GLU 32 -5.343 10.755 6.722 214 HG2 GLU 32 2HG GLU 32 -7.447 11.694 5.928 215 HG3 GLU 32 1HG GLU 32 -7.817 12.240 7.563 216 H VAL 33 H VAL 33 -5.117 9.068 5.970 217 HA VAL 33 HA VAL 33 -7.037 7.913 4.075 218 HB VAL 33 HB VAL 33 -4.146 8.599 3.559 219 HG11 VAL 33 1HG1 VAL 33 -6.463 8.056 1.701 220 HG12 VAL 33 2HG1 VAL 33 -5.070 7.004 1.986 221 HG13 VAL 33 3HG1 VAL 33 -4.847 8.568 1.200 222 HG21 VAL 33 3HG2 VAL 33 -5.037 10.627 2.444 223 HG22 VAL 33 1HG2 VAL 33 -5.285 10.623 4.192 224 HG23 VAL 33 2HG2 VAL 33 -6.627 10.246 3.110 225 H ALA 34 H ALA 34 -6.935 5.815 3.416 226 HA ALA 34 HA ALA 34 -4.726 4.143 4.358 227 HB1 ALA 34 1HB ALA 34 -6.322 3.878 6.108 228 HB2 ALA 34 2HB ALA 34 -6.379 2.418 5.117 229 HB3 ALA 34 3HB ALA 34 -7.635 3.644 4.956 230 H VAL 35 H VAL 35 -4.047 2.791 2.846 231 HA VAL 35 HA VAL 35 -5.886 2.138 0.641 232 HB VAL 35 HB VAL 35 -2.905 2.586 0.574 233 HG11 VAL 35 1HG1 VAL 35 -3.347 0.572 -0.711 234 HG12 VAL 35 2HG1 VAL 35 -3.009 1.915 -1.805 235 HG13 VAL 35 3HG1 VAL 35 -4.670 1.374 -1.559 236 HG21 VAL 35 3HG2 VAL 35 -4.266 4.567 0.389 237 HG22 VAL 35 1HG2 VAL 35 -5.258 3.807 -0.855 238 HG23 VAL 35 2HG2 VAL 35 -3.568 4.197 -1.189 239 H ILE 36 H ILE 36 -6.300 0.078 0.284 240 HA ILE 36 HA ILE 36 -4.585 -1.934 1.556 241 HB ILE 36 HB ILE 36 -7.589 -1.814 1.754 242 HG12 ILE 36 2HG1 ILE 36 -5.708 -1.855 4.076 243 HG13 ILE 36 1HG1 ILE 36 -5.952 -0.346 3.209 244 HG21 ILE 36 1HG2 ILE 36 -7.280 -3.791 3.266 245 HG22 ILE 36 2HG2 ILE 36 -5.620 -3.904 2.672 246 HG23 ILE 36 3HG2 ILE 36 -6.973 -4.105 1.558 247 HD11 ILE 36 3HD1 ILE 36 -7.415 -0.376 5.064 248 HD12 ILE 36 1HD1 ILE 36 -8.006 -1.986 4.646 249 HD13 ILE 36 2HD1 ILE 36 -8.391 -0.610 3.612 250 H GLY 37 H GLY 37 -4.228 -3.736 0.435 251 HA2 GLY 37 2HA GLY 37 -5.473 -3.939 -2.209 252 HA3 GLY 37 1HA GLY 37 -3.964 -4.692 -1.728 253 H PHE 38 H PHE 38 -7.373 -5.030 -1.944 254 HA PHE 38 HA PHE 38 -7.488 -7.436 -0.324 255 HB2 PHE 38 2HB PHE 38 -9.606 -6.256 -2.139 256 HB3 PHE 38 1HB PHE 38 -9.847 -7.469 -0.885 257 HD1 PHE 38 1HD PHE 38 -8.623 -3.981 -1.334 258 HD2 PHE 38 2HD PHE 38 -10.529 -6.802 1.215 259 HE1 PHE 38 1HE PHE 38 -9.065 -2.202 0.301 260 HE2 PHE 38 2HE PHE 38 -10.975 -5.022 2.854 261 HZ PHE 38 HZ PHE 38 -10.241 -2.719 2.399 262 H PHE 39 H PHE 39 -6.156 -8.908 -1.310 263 HA PHE 39 HA PHE 39 -6.803 -9.635 -4.088 264 HB2 PHE 39 2HB PHE 39 -4.266 -10.277 -2.588 265 HB3 PHE 39 1HB PHE 39 -4.558 -10.435 -4.318 266 HD1 PHE 39 1HD PHE 39 -5.754 -7.924 -5.066 267 HD2 PHE 39 2HD PHE 39 -2.623 -8.693 -2.289 268 HE1 PHE 39 1HE PHE 39 -4.882 -5.654 -5.426 269 HE2 PHE 39 2HE PHE 39 -1.746 -6.422 -2.643 270 HZ PHE 39 HZ PHE 39 -2.876 -4.899 -4.214 271 H GLN 40 H GLN 40 -7.336 -11.678 -4.618 272 HA GLN 40 HA GLN 40 -7.921 -13.529 -2.459 273 HB2 GLN 40 2HB GLN 40 -8.347 -13.805 -5.447 274 HB3 GLN 40 1HB GLN 40 -8.967 -14.900 -4.218 275 HG2 GLN 40 2HG GLN 40 -10.298 -13.045 -3.284 276 HG3 GLN 40 1HG GLN 40 -9.724 -12.011 -4.592 277 HE21 GLN 40 1HE2 GLN 40 -11.808 -11.677 -5.364 278 HE22 GLN 40 2HE2 GLN 40 -12.684 -12.904 -6.207 279 H ASP 41 H ASP 41 -5.368 -12.743 -4.384 280 HA ASP 41 HA ASP 41 -3.916 -15.164 -3.709 281 HB2 ASP 41 2HB ASP 41 -4.899 -15.558 -5.988 282 HB3 ASP 41 1HB ASP 41 -4.009 -14.150 -6.567 283 H LEU 42 H LEU 42 -1.996 -14.534 -2.897 284 HA LEU 42 HA LEU 42 -1.123 -11.800 -3.400 285 HB2 LEU 42 2HB LEU 42 -0.137 -13.846 -1.417 286 HB3 LEU 42 1HB LEU 42 0.480 -12.209 -1.556 287 HG LEU 42 HG LEU 42 -2.347 -12.955 -0.813 288 HD11 LEU 42 1HD1 LEU 42 -1.746 -12.103 1.401 289 HD12 LEU 42 2HD1 LEU 42 -0.084 -11.868 0.858 290 HD13 LEU 42 3HD1 LEU 42 -0.762 -13.495 0.950 291 HD21 LEU 42 3HD2 LEU 42 -2.535 -10.537 -0.263 292 HD22 LEU 42 1HD2 LEU 42 -2.335 -10.859 -1.986 293 HD23 LEU 42 2HD2 LEU 42 -0.969 -10.282 -1.033 294 H GLU 43 H GLU 43 -0.840 -13.279 -5.623 295 HA GLU 43 HA GLU 43 2.075 -13.396 -5.904 296 HB2 GLU 43 2HB GLU 43 0.177 -15.462 -7.032 297 HB3 GLU 43 1HB GLU 43 1.907 -15.393 -7.323 298 HG2 GLU 43 2HG GLU 43 2.349 -15.825 -4.994 299 HG3 GLU 43 1HG GLU 43 0.623 -15.801 -4.638 300 H ILE 44 H ILE 44 -0.528 -11.817 -6.678 301 HA ILE 44 HA ILE 44 -0.190 -11.672 -9.573 302 HB ILE 44 HB ILE 44 -2.041 -9.882 -9.280 303 HG12 ILE 44 2HG1 ILE 44 -2.731 -11.371 -6.801 304 HG13 ILE 44 1HG1 ILE 44 -1.544 -10.081 -6.682 305 HG21 ILE 44 1HG2 ILE 44 -2.270 -12.208 -10.207 306 HG22 ILE 44 2HG2 ILE 44 -3.729 -11.543 -9.473 307 HG23 ILE 44 3HG2 ILE 44 -2.761 -12.727 -8.591 308 HD11 ILE 44 3HD1 ILE 44 -4.410 -9.907 -7.506 309 HD12 ILE 44 1HD1 ILE 44 -3.256 -8.614 -7.830 310 HD13 ILE 44 2HD1 ILE 44 -3.591 -9.100 -6.168 311 HA PRO 45 HA PRO 45 2.366 -8.080 -9.892 312 HB2 PRO 45 2HB PRO 45 0.090 -6.839 -11.383 313 HB3 PRO 45 1HB PRO 45 1.796 -6.935 -11.826 314 HG2 PRO 45 2HG PRO 45 0.033 -8.544 -12.975 315 HG3 PRO 45 1HG PRO 45 1.625 -9.162 -12.496 316 HD2 PRO 45 2HD PRO 45 -1.034 -9.564 -11.200 317 HD3 PRO 45 1HD PRO 45 0.337 -10.683 -11.338 318 H ALA 46 H ALA 46 -0.981 -7.637 -8.939 319 HA ALA 46 HA ALA 46 -0.847 -4.968 -8.098 320 HB1 ALA 46 1HB ALA 46 -2.920 -5.343 -7.022 321 HB2 ALA 46 2HB ALA 46 -2.609 -7.074 -6.881 322 HB3 ALA 46 3HB ALA 46 -2.911 -6.359 -8.466 323 H VAL 47 H VAL 47 -0.101 -7.967 -6.359 324 HA VAL 47 HA VAL 47 0.042 -6.829 -3.800 325 HB VAL 47 HB VAL 47 1.816 -9.128 -4.539 326 HG11 VAL 47 1HG1 VAL 47 1.896 -8.289 -2.255 327 HG12 VAL 47 2HG1 VAL 47 1.175 -9.899 -2.298 328 HG13 VAL 47 3HG1 VAL 47 0.148 -8.479 -2.108 329 HG21 VAL 47 3HG2 VAL 47 -0.351 -9.500 -5.661 330 HG22 VAL 47 1HG2 VAL 47 -1.163 -9.307 -4.108 331 HG23 VAL 47 2HG2 VAL 47 -0.053 -10.653 -4.360 332 HA PRO 48 HA PRO 48 4.864 -6.375 -4.470 333 HB2 PRO 48 2HB PRO 48 4.968 -6.154 -7.425 334 HB3 PRO 48 1HB PRO 48 6.085 -6.963 -6.318 335 HG2 PRO 48 2HG PRO 48 4.431 -8.371 -7.861 336 HG3 PRO 48 1HG PRO 48 4.784 -8.878 -6.197 337 HD2 PRO 48 2HD PRO 48 2.370 -7.489 -7.285 338 HD3 PRO 48 1HD PRO 48 2.472 -8.785 -6.083 339 H ILE 49 H ILE 49 2.670 -5.029 -6.873 340 HA ILE 49 HA ILE 49 3.849 -2.483 -7.063 341 HB ILE 49 HB ILE 49 1.220 -3.653 -7.805 342 HG12 ILE 49 2HG1 ILE 49 2.951 -1.959 -9.542 343 HG13 ILE 49 1HG1 ILE 49 3.508 -3.570 -9.105 344 HG21 ILE 49 1HG2 ILE 49 0.672 -1.325 -8.776 345 HG22 ILE 49 2HG2 ILE 49 1.748 -0.734 -7.509 346 HG23 ILE 49 3HG2 ILE 49 0.312 -1.662 -7.085 347 HD11 ILE 49 3HD1 ILE 49 1.727 -4.603 -10.202 348 HD12 ILE 49 1HD1 ILE 49 2.250 -3.318 -11.290 349 HD13 ILE 49 2HD1 ILE 49 0.803 -3.102 -10.303 350 H LEU 50 H LEU 50 1.438 -3.832 -4.880 351 HA LEU 50 HA LEU 50 0.775 -1.318 -3.687 352 HB2 LEU 50 2HB LEU 50 -0.835 -3.094 -3.565 353 HB3 LEU 50 1HB LEU 50 0.320 -4.158 -2.793 354 HG LEU 50 HG LEU 50 0.336 -2.580 -0.833 355 HD11 LEU 50 1HD1 LEU 50 -0.502 -0.604 -1.998 356 HD12 LEU 50 2HD1 LEU 50 -1.507 -1.011 -0.609 357 HD13 LEU 50 3HD1 LEU 50 -2.056 -1.401 -2.240 358 HD21 LEU 50 3HD2 LEU 50 -2.420 -3.654 -1.386 359 HD22 LEU 50 1HD2 LEU 50 -1.574 -3.523 0.158 360 HD23 LEU 50 2HD2 LEU 50 -1.045 -4.708 -1.039 361 H HIS 51 H HIS 51 2.724 -4.107 -2.622 362 HA HIS 51 HA HIS 51 3.700 -3.032 -0.256 363 HB2 HIS 51 2HB HIS 51 4.974 -4.941 -2.222 364 HB3 HIS 51 1HB HIS 51 5.724 -4.516 -0.687 365 HD1 HIS 51 1HD HIS 51 5.419 -6.414 0.851 366 HD2 HIS 51 2HD HIS 51 2.012 -5.730 -1.428 367 HE1 HIS 51 1HE HIS 51 3.721 -8.084 1.660 368 HE2 HIS 51 2HE HIS 51 1.660 -7.634 0.285 369 H SER 52 H SER 52 4.444 -2.280 -3.538 370 HA SER 52 HA SER 52 6.909 -0.893 -2.936 371 HB2 SER 52 2HB SER 52 6.647 -2.006 -5.107 372 HB3 SER 52 1HB SER 52 5.261 -0.980 -5.478 373 HG SER 52 HG SER 52 7.344 0.551 -4.783 374 H MET 53 H MET 53 3.573 -0.022 -3.814 375 HA MET 53 HA MET 53 3.960 2.759 -3.856 376 HB2 MET 53 2HB MET 53 1.662 2.964 -4.013 377 HB3 MET 53 1HB MET 53 1.899 1.322 -4.590 378 HG2 MET 53 2HG MET 53 0.102 1.115 -3.167 379 HG3 MET 53 1HG MET 53 1.457 0.637 -2.151 380 HE1 MET 53 3HE MET 53 -0.745 2.391 0.506 381 HE2 MET 53 1HE MET 53 0.345 1.039 0.199 382 HE3 MET 53 2HE MET 53 -1.138 1.207 -0.740 383 H VAL 54 H VAL 54 3.652 0.474 -1.303 384 HA VAL 54 HA VAL 54 2.801 1.982 0.841 385 HB VAL 54 HB VAL 54 4.875 -0.199 0.754 386 HG11 VAL 54 1HG1 VAL 54 4.539 -0.435 3.166 387 HG12 VAL 54 2HG1 VAL 54 3.521 1.004 3.157 388 HG13 VAL 54 3HG1 VAL 54 5.233 1.132 2.750 389 HG21 VAL 54 3HG2 VAL 54 2.932 -1.467 1.835 390 HG22 VAL 54 1HG2 VAL 54 2.826 -1.116 0.110 391 HG23 VAL 54 2HG2 VAL 54 1.922 -0.138 1.263 392 H GLN 55 H GLN 55 6.129 1.581 -0.343 393 HA GLN 55 HA GLN 55 7.210 3.433 1.540 394 HB2 GLN 55 2HB GLN 55 8.529 2.563 -1.012 395 HB3 GLN 55 1HB GLN 55 9.277 3.056 0.502 396 HG2 GLN 55 2HG GLN 55 8.410 1.025 1.573 397 HG3 GLN 55 1HG GLN 55 7.724 0.525 0.027 398 HE21 GLN 55 1HE2 GLN 55 10.794 2.156 0.305 399 HE22 GLN 55 2HE2 GLN 55 11.774 0.808 -0.149 400 H LYS 56 H LYS 56 5.489 3.774 -1.327 401 HA LYS 56 HA LYS 56 6.705 6.323 -2.058 402 HB2 LYS 56 2HB LYS 56 4.392 4.822 -3.301 403 HB3 LYS 56 1HB LYS 56 5.135 6.277 -3.949 404 HG2 LYS 56 2HG LYS 56 7.219 5.090 -4.292 405 HG3 LYS 56 1HG LYS 56 6.525 3.631 -3.582 406 HD2 LYS 56 2HD LYS 56 6.397 3.351 -5.930 407 HD3 LYS 56 1HD LYS 56 4.762 3.753 -5.395 408 HE2 LYS 56 2HE LYS 56 5.150 5.052 -7.327 409 HE3 LYS 56 1HE LYS 56 5.308 6.152 -5.958 410 HZ1 LYS 56 3HZ LYS 56 7.568 4.871 -7.394 411 HZ2 LYS 56 1HZ LYS 56 7.700 5.961 -6.105 412 HZ3 LYS 56 2HZ LYS 56 7.069 6.475 -7.587 413 H PHE 57 H PHE 57 4.141 5.065 -0.204 414 HA PHE 57 HA PHE 57 3.102 7.775 0.209 415 HB2 PHE 57 2HB PHE 57 1.551 5.312 -0.497 416 HB3 PHE 57 1HB PHE 57 0.802 6.597 0.448 417 HD1 PHE 57 1HD PHE 57 0.603 8.877 -0.523 418 HD2 PHE 57 2HD PHE 57 1.874 5.532 -2.824 419 HE1 PHE 57 1HE PHE 57 0.113 10.119 -2.587 420 HE2 PHE 57 2HE PHE 57 1.385 6.769 -4.895 421 HZ PHE 57 HZ PHE 57 0.503 9.064 -4.777 422 HA PRO 58 HA PRO 58 4.311 5.436 4.177 423 HB2 PRO 58 2HB PRO 58 5.306 7.827 5.235 424 HB3 PRO 58 1HB PRO 58 6.275 6.530 4.530 425 HG2 PRO 58 2HG PRO 58 5.298 9.062 3.282 426 HG3 PRO 58 1HG PRO 58 6.864 8.246 3.087 427 HD2 PRO 58 2HD PRO 58 5.015 8.065 1.186 428 HD3 PRO 58 1HD PRO 58 5.975 6.640 1.635 429 H GLY 59 H GLY 59 3.098 8.758 3.707 430 HA2 GLY 59 2HA GLY 59 1.722 9.044 6.107 431 HA3 GLY 59 1HA GLY 59 1.277 9.840 4.602 432 H VAL 60 H VAL 60 0.664 7.613 3.063 433 HA VAL 60 HA VAL 60 -2.002 7.084 3.840 434 HB VAL 60 HB VAL 60 -0.196 5.978 1.702 435 HG11 VAL 60 1HG1 VAL 60 -1.578 4.096 2.395 436 HG12 VAL 60 2HG1 VAL 60 -2.094 4.689 0.816 437 HG13 VAL 60 3HG1 VAL 60 -3.029 5.089 2.257 438 HG21 VAL 60 3HG2 VAL 60 -1.893 7.033 0.234 439 HG22 VAL 60 1HG2 VAL 60 -1.088 8.176 1.309 440 HG23 VAL 60 2HG2 VAL 60 -2.722 7.625 1.675 441 H SER 61 H SER 61 -2.944 5.214 4.685 442 HA SER 61 HA SER 61 -1.175 3.616 6.318 443 HB2 SER 61 2HB SER 61 -3.313 4.407 7.236 444 HB3 SER 61 1HB SER 61 -4.179 3.483 6.010 445 HG SER 61 HG SER 61 -2.386 2.312 7.863 446 H PHE 62 H PHE 62 -0.027 2.224 5.092 447 HA PHE 62 HA PHE 62 -1.003 0.796 2.879 448 HB2 PHE 62 2HB PHE 62 0.994 -0.760 3.442 449 HB3 PHE 62 1HB PHE 62 1.326 0.911 2.994 450 HD1 PHE 62 1HD PHE 62 1.182 -1.460 5.811 451 HD2 PHE 62 2HD PHE 62 2.291 2.445 4.538 452 HE1 PHE 62 1HE PHE 62 2.428 -1.137 7.905 453 HE2 PHE 62 2HE PHE 62 3.542 2.774 6.632 454 HZ PHE 62 HZ PHE 62 3.612 0.981 8.317 455 H GLY 63 H GLY 63 -2.197 -0.982 2.706 456 HA2 GLY 63 2HA GLY 63 -2.353 -2.858 4.940 457 HA3 GLY 63 1HA GLY 63 -3.850 -2.082 4.441 458 H ILE 64 H ILE 64 -3.455 -4.852 4.389 459 HA ILE 64 HA ILE 64 -4.127 -5.374 1.649 460 HB ILE 64 HB ILE 64 -1.512 -5.494 1.975 461 HG12 ILE 64 2HG1 ILE 64 -3.069 -7.612 0.490 462 HG13 ILE 64 1HG1 ILE 64 -2.729 -5.989 -0.095 463 HG21 ILE 64 1HG2 ILE 64 -2.384 -8.221 2.906 464 HG22 ILE 64 2HG2 ILE 64 -1.489 -7.025 3.840 465 HG23 ILE 64 3HG2 ILE 64 -0.744 -7.786 2.435 466 HD11 ILE 64 3HD1 ILE 64 -1.238 -7.605 -1.108 467 HD12 ILE 64 1HD1 ILE 64 -0.688 -8.123 0.485 468 HD13 ILE 64 2HD1 ILE 64 -0.339 -6.488 -0.081 469 H SER 65 H SER 65 -5.354 -7.214 1.431 470 HA SER 65 HA SER 65 -5.595 -9.002 3.724 471 HB2 SER 65 2HB SER 65 -7.237 -7.280 4.219 472 HB3 SER 65 1HB SER 65 -7.925 -7.431 2.602 473 HG SER 65 HG SER 65 -7.810 -9.590 4.430 474 H THR 66 H THR 66 -6.591 -10.985 3.284 475 HA THR 66 HA THR 66 -7.184 -11.566 0.470 476 HB THR 66 HB THR 66 -5.947 -13.682 0.597 477 HG1 THR 66 1HG THR 66 -4.736 -14.189 2.384 478 HG21 THR 66 3HG2 THR 66 -4.868 -11.576 -0.229 479 HG22 THR 66 1HG2 THR 66 -3.741 -12.793 0.373 480 HG23 THR 66 2HG2 THR 66 -4.144 -11.395 1.369 481 H ASP 67 H ASP 67 -8.112 -11.644 3.634 482 HA ASP 67 HA ASP 67 -9.389 -14.149 3.871 483 HB2 ASP 67 2HB ASP 67 -8.896 -12.688 5.799 484 HB3 ASP 67 1HB ASP 67 -10.090 -11.532 5.218 485 H SER 68 H SER 68 -11.529 -14.754 3.569 486 HA SER 68 HA SER 68 -12.811 -13.650 1.304 487 HB2 SER 68 2HB SER 68 -13.014 -16.021 1.868 488 HB3 SER 68 1HB SER 68 -13.858 -15.611 3.361 489 HG SER 68 HG SER 68 -15.587 -15.713 2.182 490 H GLU 69 H GLU 69 -13.751 -13.660 4.752 491 HA GLU 69 HA GLU 69 -16.121 -12.274 4.576 492 HB2 GLU 69 2HB GLU 69 -14.059 -11.969 6.756 493 HB3 GLU 69 1HB GLU 69 -15.764 -11.565 6.877 494 HG2 GLU 69 2HG GLU 69 -16.317 -13.941 6.486 495 HG3 GLU 69 1HG GLU 69 -14.593 -14.309 6.501 496 H VAL 70 H VAL 70 -12.852 -10.912 4.739 497 HA VAL 70 HA VAL 70 -13.752 -8.216 4.771 498 HB VAL 70 HB VAL 70 -11.058 -9.387 4.064 499 HG11 VAL 70 1HG1 VAL 70 -11.885 -6.509 4.380 500 HG12 VAL 70 2HG1 VAL 70 -11.201 -7.279 2.947 501 HG13 VAL 70 3HG1 VAL 70 -10.210 -7.063 4.390 502 HG21 VAL 70 3HG2 VAL 70 -10.381 -8.843 6.242 503 HG22 VAL 70 1HG2 VAL 70 -11.973 -9.575 6.435 504 HG23 VAL 70 2HG2 VAL 70 -11.789 -7.819 6.516 505 H LEU 71 H LEU 71 -12.280 -10.209 2.209 506 HA LEU 71 HA LEU 71 -12.558 -8.356 0.135 507 HB2 LEU 71 2HB LEU 71 -12.239 -11.316 0.278 508 HB3 LEU 71 1HB LEU 71 -12.687 -10.602 -1.260 509 HG LEU 71 HG LEU 71 -10.675 -9.349 -1.383 510 HD11 LEU 71 1HD1 LEU 71 -8.996 -9.368 0.426 511 HD12 LEU 71 2HD1 LEU 71 -10.156 -10.208 1.456 512 HD13 LEU 71 3HD1 LEU 71 -10.503 -8.577 0.886 513 HD21 LEU 71 3HD2 LEU 71 -10.147 -12.139 -0.380 514 HD22 LEU 71 1HD2 LEU 71 -8.938 -11.119 -1.162 515 HD23 LEU 71 2HD2 LEU 71 -10.374 -11.624 -2.052 516 H THR 72 H THR 72 -14.904 -10.096 1.832 517 HA THR 72 HA THR 72 -16.886 -9.984 -0.303 518 HB THR 72 HB THR 72 -17.097 -10.978 2.548 519 HG1 THR 72 1HG THR 72 -16.185 -12.101 0.270 520 HG21 THR 72 3HG2 THR 72 -19.266 -10.227 1.864 521 HG22 THR 72 1HG2 THR 72 -19.250 -11.987 1.726 522 HG23 THR 72 2HG2 THR 72 -19.093 -10.984 0.281 523 H HIS 73 H HIS 73 -16.165 -8.541 2.828 524 HA HIS 73 HA HIS 73 -18.504 -7.014 3.107 525 HB2 HIS 73 2HB HIS 73 -16.832 -7.464 4.916 526 HB3 HIS 73 1HB HIS 73 -15.744 -6.319 4.135 527 HD1 HIS 73 1HD HIS 73 -16.055 -3.894 4.692 528 HD2 HIS 73 2HD HIS 73 -19.252 -6.235 5.942 529 HE1 HIS 73 1HE HIS 73 -17.509 -2.369 6.061 530 HE2 HIS 73 2HE HIS 73 -19.479 -3.786 6.740 531 H TYR 74 H TYR 74 -15.424 -6.363 1.513 532 HA TYR 74 HA TYR 74 -16.329 -3.711 0.707 533 HB2 TYR 74 2HB TYR 74 -13.719 -5.185 0.358 534 HB3 TYR 74 1HB TYR 74 -14.039 -3.629 -0.400 535 HD1 TYR 74 1HD TYR 74 -13.966 -5.306 2.924 536 HD2 TYR 74 2HD TYR 74 -13.604 -1.657 0.767 537 HE1 TYR 74 1HE TYR 74 -13.245 -4.168 4.982 538 HE2 TYR 74 2HE TYR 74 -12.881 -0.510 2.820 539 HH TYR 74 HH TYR 74 -12.000 -2.192 5.655 540 H ASN 75 H ASN 75 -17.201 -6.557 -0.281 541 HA ASN 75 HA ASN 75 -18.002 -7.475 -2.196 542 HB2 ASN 75 2HB ASN 75 -17.950 -4.575 -3.023 543 HB3 ASN 75 1HB ASN 75 -18.683 -5.851 -3.991 544 HD21 ASN 75 1HD2 ASN 75 -19.610 -7.318 -1.646 545 HD22 ASN 75 2HD2 ASN 75 -20.967 -6.437 -1.040 546 H ILE 76 H ILE 76 -15.060 -7.115 -1.833 547 HA ILE 76 HA ILE 76 -13.780 -6.559 -4.262 548 HB ILE 76 HB ILE 76 -12.884 -8.552 -2.181 549 HG12 ILE 76 2HG1 ILE 76 -13.447 -6.397 -1.152 550 HG13 ILE 76 1HG1 ILE 76 -11.717 -6.690 -1.110 551 HG21 ILE 76 1HG2 ILE 76 -11.355 -6.965 -4.229 552 HG22 ILE 76 2HG2 ILE 76 -11.596 -8.709 -4.206 553 HG23 ILE 76 3HG2 ILE 76 -10.621 -7.937 -2.956 554 HD11 ILE 76 3HD1 ILE 76 -13.138 -4.910 -3.078 555 HD12 ILE 76 1HD1 ILE 76 -11.396 -5.174 -2.980 556 HD13 ILE 76 2HD1 ILE 76 -12.242 -4.372 -1.658 557 H THR 77 H THR 77 -13.859 -7.582 -6.151 558 HA THR 77 HA THR 77 -14.122 -10.496 -6.208 559 HB THR 77 HB THR 77 -15.778 -10.328 -8.083 560 HG1 THR 77 1HG THR 77 -16.083 -8.368 -8.816 561 HG21 THR 77 3HG2 THR 77 -16.670 -9.210 -5.425 562 HG22 THR 77 1HG2 THR 77 -16.494 -10.918 -5.827 563 HG23 THR 77 2HG2 THR 77 -17.718 -9.944 -6.640 564 H GLY 78 H GLY 78 -11.750 -9.593 -6.631 565 HA2 GLY 78 2HA GLY 78 -10.767 -10.460 -8.948 566 HA3 GLY 78 1HA GLY 78 -11.349 -8.874 -9.430 567 H ASN 79 H ASN 79 -9.760 -9.930 -6.428 568 HA ASN 79 HA ASN 79 -7.962 -9.086 -5.313 569 HB2 ASN 79 2HB ASN 79 -6.888 -8.825 -8.126 570 HB3 ASN 79 1HB ASN 79 -5.921 -8.835 -6.655 571 HD21 ASN 79 1HD2 ASN 79 -5.634 -10.758 -5.538 572 HD22 ASN 79 2HD2 ASN 79 -5.983 -12.295 -6.243 573 H THR 80 H THR 80 -9.952 -7.252 -5.676 574 HA THR 80 HA THR 80 -9.126 -4.800 -6.832 575 HB THR 80 HB THR 80 -11.244 -5.371 -4.744 576 HG1 THR 80 1HG THR 80 -12.609 -5.168 -6.670 577 HG21 THR 80 3HG2 THR 80 -10.590 -2.990 -4.777 578 HG22 THR 80 1HG2 THR 80 -12.234 -3.238 -5.362 579 HG23 THR 80 2HG2 THR 80 -10.928 -2.938 -6.505 580 H ILE 81 H ILE 81 -8.576 -2.851 -5.827 581 HA ILE 81 HA ILE 81 -7.395 -3.050 -3.127 582 HB ILE 81 HB ILE 81 -6.462 -1.409 -5.493 583 HG12 ILE 81 2HG1 ILE 81 -5.112 -3.619 -3.931 584 HG13 ILE 81 1HG1 ILE 81 -5.777 -3.769 -5.554 585 HG21 ILE 81 1HG2 ILE 81 -4.696 -0.564 -4.023 586 HG22 ILE 81 2HG2 ILE 81 -5.423 -1.418 -2.661 587 HG23 ILE 81 3HG2 ILE 81 -6.296 -0.102 -3.446 588 HD11 ILE 81 3HD1 ILE 81 -4.147 -2.072 -6.318 589 HD12 ILE 81 1HD1 ILE 81 -3.402 -3.543 -5.692 590 HD13 ILE 81 2HD1 ILE 81 -3.438 -2.085 -4.702 591 H CYS 82 H CYS 82 -8.471 -1.822 -1.685 592 HA CYS 82 HA CYS 82 -10.074 0.392 -2.756 593 HB2 CYS 82 2HB CYS 82 -10.426 -1.151 -0.192 594 HB3 CYS 82 1HB CYS 82 -11.448 0.179 -0.722 595 HG CYS 82 HG CYS 82 -11.518 -1.777 -3.227 596 H LEU 83 H LEU 83 -9.780 2.409 -2.143 597 HA LEU 83 HA LEU 83 -7.812 2.981 -0.041 598 HB2 LEU 83 2HB LEU 83 -6.992 3.984 -1.953 599 HB3 LEU 83 1HB LEU 83 -8.584 4.335 -2.586 600 HG LEU 83 HG LEU 83 -8.836 6.217 -1.103 601 HD11 LEU 83 1HD1 LEU 83 -6.083 5.746 -0.007 602 HD12 LEU 83 2HD1 LEU 83 -7.527 5.122 0.789 603 HD13 LEU 83 3HD1 LEU 83 -7.325 6.862 0.566 604 HD21 LEU 83 3HD2 LEU 83 -6.116 6.230 -2.398 605 HD22 LEU 83 1HD2 LEU 83 -7.049 7.650 -1.930 606 HD23 LEU 83 2HD2 LEU 83 -7.647 6.583 -3.199 607 H PHE 84 H PHE 84 -8.929 3.244 1.830 608 HA PHE 84 HA PHE 84 -11.439 4.744 1.780 609 HB2 PHE 84 2HB PHE 84 -10.971 2.465 3.040 610 HB3 PHE 84 1HB PHE 84 -10.343 3.541 4.284 611 HD1 PHE 84 2HD PHE 84 -11.925 5.504 4.973 612 HD2 PHE 84 1HD PHE 84 -13.211 1.944 3.026 613 HE1 PHE 84 2HE PHE 84 -14.213 5.887 5.792 614 HE2 PHE 84 1HE PHE 84 -15.502 2.322 3.841 615 HZ PHE 84 HZ PHE 84 -16.004 4.296 5.226 616 H ARG 85 H ARG 85 -11.497 6.825 2.323 617 HA ARG 85 HA ARG 85 -9.167 7.958 3.726 618 HB2 ARG 85 2HB ARG 85 -11.084 9.800 2.439 619 HB3 ARG 85 1HB ARG 85 -9.327 9.826 2.459 620 HG2 ARG 85 2HG ARG 85 -9.273 8.066 0.768 621 HG3 ARG 85 1HG ARG 85 -11.045 8.054 0.738 622 HD2 ARG 85 2HD ARG 85 -9.214 10.311 -0.064 623 HD3 ARG 85 1HD ARG 85 -10.266 9.360 -1.114 624 HE ARG 85 HE ARG 85 -11.811 10.619 0.875 625 HH11 ARG 85 1HH1 ARG 85 -9.984 11.347 -2.002 626 HH12 ARG 85 2HH1 ARG 85 -10.916 12.752 -2.395 627 HH21 ARG 85 1HH2 ARG 85 -13.046 12.467 0.364 628 HH22 ARG 85 2HH2 ARG 85 -12.657 13.389 -1.050 629 H LEU 86 H LEU 86 -9.953 7.340 5.772 630 HA LEU 86 HA LEU 86 -12.172 7.479 7.130 631 HB2 LEU 86 2HB LEU 86 -10.389 7.090 8.492 632 HB3 LEU 86 1HB LEU 86 -9.454 8.417 7.837 633 HG LEU 86 HG LEU 86 -10.957 9.987 9.109 634 HD11 LEU 86 1HD1 LEU 86 -12.234 9.060 10.972 635 HD12 LEU 86 2HD1 LEU 86 -11.849 7.427 10.429 636 HD13 LEU 86 3HD1 LEU 86 -12.845 8.480 9.424 637 HD21 LEU 86 3HD2 LEU 86 -8.747 9.486 9.911 638 HD22 LEU 86 1HD2 LEU 86 -9.313 7.980 10.641 639 HD23 LEU 86 2HD2 LEU 86 -9.865 9.531 11.277 640 H VAL 87 H VAL 87 -10.339 10.518 6.732 641 HA VAL 87 HA VAL 87 -11.908 12.335 7.911 642 HB VAL 87 HB VAL 87 -11.433 13.733 5.638 643 HG11 VAL 87 1HG1 VAL 87 -9.327 14.421 6.711 644 HG12 VAL 87 2HG1 VAL 87 -9.460 13.050 7.814 645 HG13 VAL 87 3HG1 VAL 87 -10.666 14.336 7.857 646 HG21 VAL 87 3HG2 VAL 87 -9.440 11.474 5.721 647 HG22 VAL 87 1HG2 VAL 87 -9.232 12.959 4.790 648 HG23 VAL 87 2HG2 VAL 87 -10.557 11.860 4.410 649 H ASP 88 H ASP 88 -12.365 11.818 4.421 650 HA ASP 88 HA ASP 88 -15.088 12.761 4.649 651 HB2 ASP 88 2HB ASP 88 -13.326 12.048 2.315 652 HB3 ASP 88 1HB ASP 88 -15.034 12.437 2.115 653 H ASN 89 H ASN 89 -13.693 9.925 5.230 654 HA ASN 89 HA ASN 89 -14.296 7.740 5.247 655 HB2 ASN 89 2HB ASN 89 -16.102 8.766 6.599 656 HB3 ASN 89 1HB ASN 89 -17.095 8.866 5.150 657 HD21 ASN 89 1HD2 ASN 89 -15.582 6.718 7.449 658 HD22 ASN 89 2HD2 ASN 89 -16.558 5.337 7.099 659 H GLU 90 H GLU 90 -13.687 8.750 2.680 660 HA GLU 90 HA GLU 90 -15.646 7.724 0.822 661 HB2 GLU 90 2HB GLU 90 -12.811 8.627 0.295 662 HB3 GLU 90 1HB GLU 90 -14.061 8.362 -0.912 663 HG2 GLU 90 2HG GLU 90 -14.173 10.425 1.265 664 HG3 GLU 90 1HG GLU 90 -13.685 10.733 -0.399 665 H GLN 91 H GLN 91 -15.155 6.049 -0.745 666 HA GLN 91 HA GLN 91 -13.087 4.149 0.069 667 HB2 GLN 91 2HB GLN 91 -15.167 3.442 1.184 668 HB3 GLN 91 1HB GLN 91 -15.979 3.385 -0.373 669 HG2 GLN 91 2HG GLN 91 -13.506 1.784 -0.061 670 HG3 GLN 91 1HG GLN 91 -14.953 1.232 0.783 671 HE21 GLN 91 1HE2 GLN 91 -13.490 0.033 -1.449 672 HE22 GLN 91 2HE2 GLN 91 -14.639 -0.151 -2.726 673 H LEU 92 H LEU 92 -11.925 4.614 -1.776 674 HA LEU 92 HA LEU 92 -13.151 4.443 -4.382 675 HB2 LEU 92 2HB LEU 92 -10.233 4.647 -3.613 676 HB3 LEU 92 1HB LEU 92 -10.870 4.807 -5.236 677 HG LEU 92 HG LEU 92 -10.418 6.999 -4.515 678 HD11 LEU 92 1HD1 LEU 92 -13.357 6.520 -4.071 679 HD12 LEU 92 2HD1 LEU 92 -12.569 6.820 -5.619 680 HD13 LEU 92 3HD1 LEU 92 -12.603 8.081 -4.388 681 HD21 LEU 92 3HD2 LEU 92 -12.012 6.596 -2.004 682 HD22 LEU 92 1HD2 LEU 92 -10.936 7.929 -2.421 683 HD23 LEU 92 2HD2 LEU 92 -10.271 6.332 -2.081 684 H ASN 93 H ASN 93 -13.147 2.683 -5.717 685 HA ASN 93 HA ASN 93 -11.801 0.283 -4.664 686 HB2 ASN 93 2HB ASN 93 -13.606 -0.868 -6.200 687 HB3 ASN 93 1HB ASN 93 -14.019 -0.325 -4.579 688 HD21 ASN 93 1HD2 ASN 93 -14.362 0.270 -7.981 689 HD22 ASN 93 2HD2 ASN 93 -15.659 1.404 -7.861 690 H LEU 94 H LEU 94 -10.116 -0.297 -5.750 691 HA LEU 94 HA LEU 94 -9.916 0.244 -8.629 692 HB2 LEU 94 2HB LEU 94 -8.121 0.932 -6.859 693 HB3 LEU 94 1HB LEU 94 -7.688 -0.766 -6.874 694 HG LEU 94 HG LEU 94 -7.801 0.614 -9.495 695 HD11 LEU 94 1HD1 LEU 94 -5.500 1.454 -9.174 696 HD12 LEU 94 2HD1 LEU 94 -5.620 1.059 -7.460 697 HD13 LEU 94 3HD1 LEU 94 -6.678 2.284 -8.160 698 HD21 LEU 94 3HD2 LEU 94 -5.900 -0.847 -9.925 699 HD22 LEU 94 1HD2 LEU 94 -7.267 -1.764 -9.298 700 HD23 LEU 94 2HD2 LEU 94 -5.911 -1.374 -8.240 701 H GLU 95 H GLU 95 -11.430 -1.478 -9.022 702 HA GLU 95 HA GLU 95 -10.810 -4.159 -8.196 703 HB2 GLU 95 2HB GLU 95 -12.890 -3.259 -10.178 704 HB3 GLU 95 1HB GLU 95 -12.833 -4.790 -9.316 705 HG2 GLU 95 2HG GLU 95 -13.249 -3.695 -7.229 706 HG3 GLU 95 1HG GLU 95 -13.141 -2.108 -7.991 707 H ASP 96 H ASP 96 -11.603 -5.641 -10.355 708 HA ASP 96 HA ASP 96 -9.251 -6.245 -11.642 709 HB2 ASP 96 2HB ASP 96 -11.101 -7.795 -11.593 710 HB3 ASP 96 1HB ASP 96 -12.087 -6.713 -12.572 711 H GLU 97 H GLU 97 -11.748 -3.972 -12.679 712 HA GLU 97 HA GLU 97 -10.902 -3.561 -15.304 713 HB2 GLU 97 2HB GLU 97 -12.097 -1.549 -13.384 714 HB3 GLU 97 1HB GLU 97 -11.996 -1.351 -15.129 715 HG2 GLU 97 2HG GLU 97 -13.541 -3.494 -13.683 716 HG3 GLU 97 1HG GLU 97 -14.223 -2.047 -14.428 717 H ASP 98 H ASP 98 -9.333 -2.886 -12.408 718 HA ASP 98 HA ASP 98 -7.321 -1.263 -13.796 719 HB2 ASP 98 2HB ASP 98 -8.401 -0.842 -11.000 720 HB3 ASP 98 1HB ASP 98 -6.965 -0.040 -11.637 721 H ILE 99 H ILE 99 -8.012 -3.995 -11.901 722 HA ILE 99 HA ILE 99 -5.338 -4.239 -10.780 723 HB ILE 99 HB ILE 99 -7.786 -5.996 -10.572 724 HG12 ILE 99 2HG1 ILE 99 -7.766 -3.825 -9.347 725 HG13 ILE 99 1HG1 ILE 99 -7.912 -5.234 -8.309 726 HG21 ILE 99 1HG2 ILE 99 -5.924 -7.481 -10.468 727 HG22 ILE 99 2HG2 ILE 99 -6.491 -7.221 -8.816 728 HG23 ILE 99 3HG2 ILE 99 -5.043 -6.395 -9.392 729 HD11 ILE 99 3HD1 ILE 99 -6.424 -3.637 -7.315 730 HD12 ILE 99 1HD1 ILE 99 -5.437 -3.592 -8.775 731 HD13 ILE 99 2HD1 ILE 99 -5.507 -5.063 -7.803 732 H GLU 100 H GLU 100 -7.279 -5.533 -13.375 733 HA GLU 100 HA GLU 100 -5.878 -7.837 -14.021 734 HB2 GLU 100 2HB GLU 100 -8.038 -6.916 -15.039 735 HB3 GLU 100 1HB GLU 100 -7.007 -5.947 -16.081 736 HG2 GLU 100 2HG GLU 100 -6.844 -8.943 -15.912 737 HG3 GLU 100 1HG GLU 100 -7.854 -8.082 -17.072 738 H SER 101 H SER 101 -5.234 -4.480 -14.913 739 HA SER 101 HA SER 101 -2.550 -5.305 -15.803 740 HB2 SER 101 2HB SER 101 -4.286 -3.141 -17.022 741 HB3 SER 101 1HB SER 101 -2.622 -3.491 -17.486 742 HG SER 101 HG SER 101 -4.720 -4.549 -18.528 743 H ILE 102 H ILE 102 -3.234 -4.526 -13.186 744 HA ILE 102 HA ILE 102 -2.817 -1.796 -12.661 745 HB ILE 102 HB ILE 102 -3.779 -3.306 -11.000 746 HG12 ILE 102 2HG1 ILE 102 -2.308 -2.578 -9.041 747 HG13 ILE 102 1HG1 ILE 102 -1.234 -1.873 -10.243 748 HG21 ILE 102 1HG2 ILE 102 -1.017 -4.518 -10.959 749 HG22 ILE 102 2HG2 ILE 102 -2.540 -5.313 -11.361 750 HG23 ILE 102 3HG2 ILE 102 -2.230 -4.790 -9.706 751 HD11 ILE 102 3HD1 ILE 102 -2.654 -0.165 -9.375 752 HD12 ILE 102 1HD1 ILE 102 -4.092 -1.125 -9.713 753 HD13 ILE 102 2HD1 ILE 102 -3.123 -0.492 -11.043 754 H ASP 103 H ASP 103 -1.036 -0.624 -12.165 755 HA ASP 103 HA ASP 103 1.586 -1.929 -12.244 756 HB2 ASP 103 2HB ASP 103 0.940 0.618 -13.742 757 HB3 ASP 103 1HB ASP 103 2.497 -0.201 -13.685 758 H ALA 104 H ALA 104 3.211 -0.811 -11.029 759 HA ALA 104 HA ALA 104 2.414 0.312 -8.661 760 HB1 ALA 104 1HB ALA 104 4.698 1.183 -8.422 761 HB2 ALA 104 2HB ALA 104 4.994 0.824 -10.123 762 HB3 ALA 104 3HB ALA 104 4.659 -0.487 -8.988 763 H THR 105 H THR 105 2.997 1.899 -11.724 764 HA THR 105 HA THR 105 2.869 4.572 -10.864 765 HB THR 105 HB THR 105 2.047 3.387 -13.523 766 HG1 THR 105 1HG THR 105 4.472 3.948 -12.357 767 HG21 THR 105 3HG2 THR 105 2.467 5.696 -14.364 768 HG22 THR 105 1HG2 THR 105 2.573 6.232 -12.687 769 HG23 THR 105 2HG2 THR 105 1.064 5.555 -13.305 770 H LYS 106 H LYS 106 0.364 2.394 -12.128 771 HA LYS 106 HA LYS 106 -1.782 4.178 -12.018 772 HB2 LYS 106 2HB LYS 106 -1.816 1.171 -11.677 773 HB3 LYS 106 1HB LYS 106 -3.210 2.172 -12.058 774 HG2 LYS 106 2HG LYS 106 -2.205 2.811 -14.174 775 HG3 LYS 106 1HG LYS 106 -0.763 1.867 -13.788 776 HD2 LYS 106 2HD LYS 106 -2.114 0.547 -15.250 777 HD3 LYS 106 1HD LYS 106 -2.242 -0.154 -13.637 778 HE2 LYS 106 2HE LYS 106 -4.379 0.964 -13.304 779 HE3 LYS 106 1HE LYS 106 -4.247 1.721 -14.891 780 HZ1 LYS 106 3HZ LYS 106 -4.437 -1.199 -14.372 781 HZ2 LYS 106 1HZ LYS 106 -4.296 -0.479 -15.898 782 HZ3 LYS 106 2HZ LYS 106 -5.680 -0.215 -14.962 783 H LEU 107 H LEU 107 -0.976 1.606 -9.648 784 HA LEU 107 HA LEU 107 -2.885 2.208 -7.750 785 HB2 LEU 107 2HB LEU 107 -0.705 0.516 -7.882 786 HB3 LEU 107 1HB LEU 107 -0.274 1.592 -6.572 787 HG LEU 107 HG LEU 107 -2.514 -0.387 -6.730 788 HD11 LEU 107 1HD1 LEU 107 -1.681 -0.838 -4.398 789 HD12 LEU 107 2HD1 LEU 107 -0.359 0.283 -4.737 790 HD13 LEU 107 3HD1 LEU 107 -0.539 -1.188 -5.693 791 HD21 LEU 107 3HD2 LEU 107 -3.658 1.652 -6.116 792 HD22 LEU 107 1HD2 LEU 107 -2.439 2.005 -4.891 793 HD23 LEU 107 2HD2 LEU 107 -3.505 0.612 -4.701 794 H SER 108 H SER 108 0.472 3.402 -7.816 795 HA SER 108 HA SER 108 0.255 5.200 -5.694 796 HB2 SER 108 2HB SER 108 2.027 5.333 -8.145 797 HB3 SER 108 1HB SER 108 2.252 6.300 -6.686 798 HG SER 108 HG SER 108 2.797 4.508 -5.567 799 H ARG 109 H ARG 109 -0.740 5.465 -9.015 800 HA ARG 109 HA ARG 109 -1.042 8.286 -9.060 801 HB2 ARG 109 2HB ARG 109 -0.800 6.843 -11.085 802 HB3 ARG 109 1HB ARG 109 -2.412 6.219 -10.786 803 HG2 ARG 109 2HG ARG 109 -1.937 9.154 -11.132 804 HG3 ARG 109 1HG ARG 109 -2.115 8.082 -12.523 805 HD2 ARG 109 2HD ARG 109 -4.274 7.296 -11.496 806 HD3 ARG 109 1HD ARG 109 -4.109 8.612 -10.328 807 HE ARG 109 HE ARG 109 -3.870 9.758 -12.832 808 HH11 ARG 109 1HH1 ARG 109 -6.285 7.971 -11.063 809 HH12 ARG 109 2HH1 ARG 109 -7.619 8.734 -11.864 810 HH21 ARG 109 1HH2 ARG 109 -5.616 10.765 -13.888 811 HH22 ARG 109 2HH2 ARG 109 -7.238 10.324 -13.471 812 H PHE 110 H PHE 110 -3.533 5.743 -9.174 813 HA PHE 110 HA PHE 110 -5.767 7.192 -8.652 814 HB2 PHE 110 2HB PHE 110 -4.971 4.419 -7.821 815 HB3 PHE 110 1HB PHE 110 -6.505 5.091 -7.271 816 HD1 PHE 110 2HD PHE 110 -4.597 3.927 -10.167 817 HD2 PHE 110 1HD PHE 110 -8.313 5.487 -8.805 818 HE1 PHE 110 2HE PHE 110 -5.639 3.292 -12.303 819 HE2 PHE 110 1HE PHE 110 -9.365 4.854 -10.939 820 HZ PHE 110 HZ PHE 110 -8.028 3.755 -12.691 821 H ILE 111 H ILE 111 -3.429 6.000 -6.276 822 HA ILE 111 HA ILE 111 -4.761 6.973 -3.985 823 HB ILE 111 HB ILE 111 -1.818 6.463 -4.459 824 HG12 ILE 111 2HG1 ILE 111 -3.829 4.823 -2.917 825 HG13 ILE 111 1HG1 ILE 111 -3.443 4.536 -4.606 826 HG21 ILE 111 1HG2 ILE 111 -2.107 8.050 -2.642 827 HG22 ILE 111 2HG2 ILE 111 -1.594 6.478 -2.021 828 HG23 ILE 111 3HG2 ILE 111 -3.279 6.976 -1.874 829 HD11 ILE 111 3HD1 ILE 111 -2.232 3.023 -3.140 830 HD12 ILE 111 1HD1 ILE 111 -1.500 4.400 -2.317 831 HD13 ILE 111 2HD1 ILE 111 -1.129 4.088 -4.013 832 H GLU 112 H GLU 112 -2.009 8.300 -5.811 833 HA GLU 112 HA GLU 112 -1.768 10.727 -4.493 834 HB2 GLU 112 2HB GLU 112 -0.227 9.757 -6.256 835 HB3 GLU 112 1HB GLU 112 -1.375 10.329 -7.463 836 HG2 GLU 112 2HG GLU 112 0.361 11.933 -7.318 837 HG3 GLU 112 1HG GLU 112 -1.060 12.631 -6.545 838 H ILE 113 H ILE 113 -4.252 9.578 -6.489 839 HA ILE 113 HA ILE 113 -5.215 12.201 -7.267 840 HB ILE 113 HB ILE 113 -5.691 9.436 -8.114 841 HG12 ILE 113 2HG1 ILE 113 -5.941 10.503 -10.293 842 HG13 ILE 113 1HG1 ILE 113 -5.990 12.090 -9.530 843 HG21 ILE 113 1HG2 ILE 113 -7.937 9.902 -9.035 844 HG22 ILE 113 2HG2 ILE 113 -7.997 11.366 -8.051 845 HG23 ILE 113 3HG2 ILE 113 -7.897 9.782 -7.278 846 HD11 ILE 113 3HD1 ILE 113 -3.818 11.608 -10.532 847 HD12 ILE 113 1HD1 ILE 113 -3.648 10.202 -9.482 848 HD13 ILE 113 2HD1 ILE 113 -3.699 11.823 -8.786 849 H ASN 114 H ASN 114 -6.113 9.566 -5.072 850 HA ASN 114 HA ASN 114 -8.170 11.363 -3.965 851 HB2 ASN 114 2HB ASN 114 -8.312 8.367 -4.310 852 HB3 ASN 114 1HB ASN 114 -9.433 9.291 -3.310 853 HD21 ASN 114 1HD2 ASN 114 -9.796 7.699 -5.801 854 HD22 ASN 114 2HD2 ASN 114 -10.590 8.768 -6.900 855 H SER 115 H SER 115 -5.361 11.000 -3.136 856 HA SER 115 HA SER 115 -5.493 9.586 -0.626 857 HB2 SER 115 2HB SER 115 -3.186 10.372 -0.308 858 HB3 SER 115 1HB SER 115 -3.391 9.678 -1.916 859 HG SER 115 HG SER 115 -3.813 11.982 -2.540 860 H LEU 116 H LEU 116 -7.514 11.367 -0.632 861 HA LEU 116 HA LEU 116 -6.636 13.707 0.888 862 HB2 LEU 116 2HB LEU 116 -9.391 13.061 -0.143 863 HB3 LEU 116 1HB LEU 116 -8.840 14.596 0.501 864 HG LEU 116 HG LEU 116 -7.928 13.324 -2.079 865 HD11 LEU 116 1HD1 LEU 116 -9.104 15.146 -3.156 866 HD12 LEU 116 2HD1 LEU 116 -9.597 15.786 -1.588 867 HD13 LEU 116 3HD1 LEU 116 -10.214 14.228 -2.137 868 HD21 LEU 116 3HD2 LEU 116 -7.180 15.967 -0.830 869 HD22 LEU 116 1HD2 LEU 116 -6.735 15.437 -2.453 870 HD23 LEU 116 2HD2 LEU 116 -6.119 14.575 -1.044 Start of MODEL 4 1 H GLU 1 H GLU 1 10.573 -15.495 -0.706 2 HA GLU 1 HA GLU 1 8.298 -14.549 -2.107 3 HB2 GLU 1 2HB GLU 1 7.991 -17.406 -1.159 4 HB3 GLU 1 1HB GLU 1 6.716 -16.394 -1.822 5 HG2 GLU 1 2HG GLU 1 7.928 -16.296 -3.956 6 HG3 GLU 1 1HG GLU 1 9.163 -17.360 -3.284 7 H VAL 2 H VAL 2 9.767 -13.780 0.115 8 HA VAL 2 HA VAL 2 9.534 -12.995 2.235 9 HB VAL 2 HB VAL 2 6.610 -13.515 1.929 10 HG11 VAL 2 1HG1 VAL 2 6.350 -11.662 3.474 11 HG12 VAL 2 2HG1 VAL 2 8.099 -11.446 3.527 12 HG13 VAL 2 3HG1 VAL 2 7.372 -12.915 4.181 13 HG21 VAL 2 3HG2 VAL 2 7.387 -12.307 -0.030 14 HG22 VAL 2 1HG2 VAL 2 8.183 -11.121 1.005 15 HG23 VAL 2 2HG2 VAL 2 6.424 -11.251 1.005 16 H GLU 3 H GLU 3 10.641 -14.740 3.196 17 HA GLU 3 HA GLU 3 9.134 -17.026 4.134 18 HB2 GLU 3 2HB GLU 3 12.014 -16.266 4.645 19 HB3 GLU 3 1HB GLU 3 11.273 -17.819 5.012 20 HG2 GLU 3 2HG GLU 3 11.667 -16.636 2.273 21 HG3 GLU 3 1HG GLU 3 12.597 -17.950 2.991 22 H LYS 4 H LYS 4 11.260 -14.677 5.778 23 HA LYS 4 HA LYS 4 9.366 -14.673 8.025 24 HB2 LYS 4 2HB LYS 4 12.376 -14.875 8.225 25 HB3 LYS 4 1HB LYS 4 11.299 -14.609 9.589 26 HG2 LYS 4 2HG LYS 4 10.215 -16.766 9.136 27 HG3 LYS 4 1HG LYS 4 11.340 -17.033 7.804 28 HD2 LYS 4 2HD LYS 4 12.185 -16.593 10.665 29 HD3 LYS 4 1HD LYS 4 11.961 -18.185 9.936 30 HE2 LYS 4 2HE LYS 4 13.646 -17.560 8.213 31 HE3 LYS 4 1HE LYS 4 13.929 -16.060 9.094 32 HZ1 LYS 4 3HZ LYS 4 14.600 -17.374 11.020 33 HZ2 LYS 4 1HZ LYS 4 15.566 -17.726 9.675 34 HZ3 LYS 4 2HZ LYS 4 14.354 -18.805 10.151 35 H SER 5 H SER 5 12.475 -13.060 7.337 36 HA SER 5 HA SER 5 11.156 -10.508 7.019 37 HB2 SER 5 2HB SER 5 12.994 -11.009 9.371 38 HB3 SER 5 1HB SER 5 12.407 -9.424 8.866 39 HG SER 5 HG SER 5 11.228 -10.713 10.589 40 H SER 6 H SER 6 13.082 -8.736 7.093 41 HA SER 6 HA SER 6 14.875 -9.592 4.983 42 HB2 SER 6 2HB SER 6 15.496 -7.191 4.869 43 HB3 SER 6 1HB SER 6 13.754 -7.442 4.737 44 HG SER 6 HG SER 6 13.764 -7.040 7.101 45 H ASP 7 H ASP 7 15.324 -7.792 8.031 46 HA ASP 7 HA ASP 7 17.062 -7.667 9.487 47 HB2 ASP 7 2HB ASP 7 16.455 -10.018 9.879 48 HB3 ASP 7 1HB ASP 7 17.539 -10.514 8.580 49 H GLY 8 H GLY 8 18.118 -6.086 8.165 50 HA2 GLY 8 2HA GLY 8 20.801 -6.387 7.801 51 HA3 GLY 8 1HA GLY 8 20.120 -6.905 6.265 52 HA PRO 9 HA PRO 9 21.107 -2.311 6.060 53 HB2 PRO 9 2HB PRO 9 21.291 -3.243 3.229 54 HB3 PRO 9 1HB PRO 9 22.322 -2.107 4.108 55 HG2 PRO 9 2HG PRO 9 23.152 -4.587 3.631 56 HG3 PRO 9 1HG PRO 9 23.492 -3.799 5.184 57 HD2 PRO 9 2HD PRO 9 21.494 -5.914 4.529 58 HD3 PRO 9 1HD PRO 9 22.440 -5.672 6.010 59 H GLY 10 H GLY 10 19.118 -4.370 3.951 60 HA2 GLY 10 2HA GLY 10 17.308 -2.096 3.497 61 HA3 GLY 10 1HA GLY 10 17.360 -3.567 2.539 62 H ALA 11 H ALA 11 14.943 -2.751 3.278 63 HA ALA 11 HA ALA 11 13.962 -4.922 4.838 64 HB1 ALA 11 1HB ALA 11 13.840 -2.173 6.074 65 HB2 ALA 11 2HB ALA 11 14.689 -3.581 6.711 66 HB3 ALA 11 3HB ALA 11 12.927 -3.571 6.639 67 H ALA 12 H ALA 12 13.018 -1.555 4.170 68 HA ALA 12 HA ALA 12 11.251 -0.640 3.085 69 HB1 ALA 12 1HB ALA 12 12.248 -2.012 1.233 70 HB2 ALA 12 2HB ALA 12 10.535 -1.631 1.058 71 HB3 ALA 12 3HB ALA 12 11.029 -3.238 1.586 72 H GLN 13 H GLN 13 9.626 -0.317 4.438 73 HA GLN 13 HA GLN 13 8.210 -2.124 5.948 74 HB2 GLN 13 2HB GLN 13 6.406 -0.378 5.995 75 HB3 GLN 13 1HB GLN 13 8.014 0.218 6.382 76 HG2 GLN 13 2HG GLN 13 8.218 0.983 4.018 77 HG3 GLN 13 1HG GLN 13 6.527 0.538 3.788 78 HE21 GLN 13 1HE2 GLN 13 4.925 1.758 4.772 79 HE22 GLN 13 2HE2 GLN 13 5.228 3.326 5.428 80 H GLU 14 H GLU 14 6.053 -2.978 5.768 81 HA GLU 14 HA GLU 14 5.148 -3.380 2.995 82 HB2 GLU 14 2HB GLU 14 4.688 -5.697 3.436 83 HB3 GLU 14 1HB GLU 14 6.355 -5.375 3.891 84 HG2 GLU 14 2HG GLU 14 5.645 -5.198 6.245 85 HG3 GLU 14 1HG GLU 14 4.005 -5.620 5.750 86 HA PRO 15 HA PRO 15 1.092 -2.271 4.310 87 HB2 PRO 15 2HB PRO 15 -0.489 -4.089 3.013 88 HB3 PRO 15 1HB PRO 15 0.262 -2.696 2.230 89 HG2 PRO 15 2HG PRO 15 1.128 -5.551 2.258 90 HG3 PRO 15 1HG PRO 15 1.155 -4.379 0.929 91 HD2 PRO 15 2HD PRO 15 3.367 -5.037 2.343 92 HD3 PRO 15 1HD PRO 15 3.124 -3.426 1.641 93 H THR 16 H THR 16 -0.388 -2.672 5.884 94 HA THR 16 HA THR 16 0.150 -4.660 7.797 95 HB THR 16 HB THR 16 -2.455 -3.155 7.507 96 HG1 THR 16 1HG THR 16 -0.167 -2.030 7.657 97 HG21 THR 16 3HG2 THR 16 -1.029 -4.281 9.921 98 HG22 THR 16 1HG2 THR 16 -2.463 -4.969 9.159 99 HG23 THR 16 2HG2 THR 16 -2.551 -3.390 9.941 100 H TRP 17 H TRP 17 -1.151 -6.413 8.504 101 HA TRP 17 HA TRP 17 -2.475 -7.792 6.286 102 HB2 TRP 17 2HB TRP 17 -1.411 -8.837 8.916 103 HB3 TRP 17 1HB TRP 17 -2.170 -9.828 7.672 104 HD1 TRP 17 HD TRP 17 1.033 -7.827 8.364 105 HE1 TRP 17 1HE TRP 17 2.861 -8.625 6.736 106 HE3 TRP 17 3HE TRP 17 -1.787 -10.922 5.424 107 HZ2 TRP 17 2HZ TRP 17 3.079 -10.338 4.505 108 HZ3 TRP 17 3HZ TRP 17 -0.690 -12.102 3.564 109 HH2 TRP 17 HH TRP 17 1.693 -11.815 3.115 110 H LEU 18 H LEU 18 -4.528 -6.997 6.296 111 HA LEU 18 HA LEU 18 -6.085 -7.005 8.768 112 HB2 LEU 18 2HB LEU 18 -6.906 -6.153 5.991 113 HB3 LEU 18 1HB LEU 18 -7.769 -5.831 7.483 114 HG LEU 18 HG LEU 18 -5.025 -4.754 6.839 115 HD11 LEU 18 1HD1 LEU 18 -7.721 -3.428 6.660 116 HD12 LEU 18 2HD1 LEU 18 -6.635 -3.796 5.322 117 HD13 LEU 18 3HD1 LEU 18 -6.170 -2.599 6.530 118 HD21 LEU 18 3HD2 LEU 18 -6.960 -4.157 9.071 119 HD22 LEU 18 1HD2 LEU 18 -5.480 -3.255 8.746 120 HD23 LEU 18 2HD2 LEU 18 -5.394 -4.953 9.214 121 H THR 19 H THR 19 -5.841 -9.414 8.787 122 HA THR 19 HA THR 19 -7.163 -11.006 6.831 123 HB THR 19 HB THR 19 -6.871 -12.862 8.408 124 HG1 THR 19 1HG THR 19 -7.168 -11.307 10.291 125 HG21 THR 19 3HG2 THR 19 -4.485 -11.038 8.127 126 HG22 THR 19 1HG2 THR 19 -4.988 -12.307 7.011 127 HG23 THR 19 2HG2 THR 19 -4.396 -12.729 8.618 128 H ASP 20 H ASP 20 -8.501 -8.924 8.991 129 HA ASP 20 HA ASP 20 -11.010 -10.426 8.963 130 HB2 ASP 20 2HB ASP 20 -9.711 -9.270 11.426 131 HB3 ASP 20 1HB ASP 20 -11.426 -9.669 11.349 132 H VAL 21 H VAL 21 -12.877 -9.186 8.988 133 HA VAL 21 HA VAL 21 -12.770 -6.713 7.712 134 HB VAL 21 HB VAL 21 -15.074 -7.694 9.400 135 HG11 VAL 21 1HG1 VAL 21 -15.258 -5.372 8.676 136 HG12 VAL 21 2HG1 VAL 21 -16.438 -6.388 7.848 137 HG13 VAL 21 3HG1 VAL 21 -14.981 -5.862 7.005 138 HG21 VAL 21 3HG2 VAL 21 -15.913 -8.725 7.318 139 HG22 VAL 21 1HG2 VAL 21 -14.416 -9.462 7.887 140 HG23 VAL 21 2HG2 VAL 21 -14.384 -8.333 6.533 141 HA PRO 22 HA PRO 22 -13.765 -4.703 12.072 142 HB2 PRO 22 2HB PRO 22 -12.569 -6.069 14.152 143 HB3 PRO 22 1HB PRO 22 -14.285 -6.167 13.741 144 HG2 PRO 22 2HG PRO 22 -12.055 -8.026 13.025 145 HG3 PRO 22 1HG PRO 22 -13.710 -8.406 13.537 146 HD2 PRO 22 2HD PRO 22 -12.991 -8.549 10.968 147 HD3 PRO 22 1HD PRO 22 -14.595 -7.949 11.437 148 H ALA 23 H ALA 23 -10.791 -6.644 11.778 149 HA ALA 23 HA ALA 23 -9.093 -4.673 12.893 150 HB1 ALA 23 1HB ALA 23 -7.259 -6.014 12.082 151 HB2 ALA 23 2HB ALA 23 -8.332 -6.886 10.988 152 HB3 ALA 23 3HB ALA 23 -8.506 -7.078 12.734 153 H ALA 24 H ALA 24 -10.212 -5.370 9.675 154 HA ALA 24 HA ALA 24 -8.446 -3.688 8.252 155 HB1 ALA 24 1HB ALA 24 -9.687 -5.356 7.055 156 HB2 ALA 24 2HB ALA 24 -10.203 -3.771 6.466 157 HB3 ALA 24 3HB ALA 24 -11.223 -4.672 7.591 158 H MET 25 H MET 25 -11.834 -3.190 9.224 159 HA MET 25 HA MET 25 -11.974 -0.483 8.494 160 HB2 MET 25 2HB MET 25 -13.597 -1.890 10.620 161 HB3 MET 25 1HB MET 25 -14.037 -0.415 9.771 162 HG2 MET 25 2HG MET 25 -14.044 -1.732 7.650 163 HG3 MET 25 1HG MET 25 -13.812 -3.182 8.620 164 HE1 MET 25 3HE MET 25 -15.505 -2.675 11.172 165 HE2 MET 25 1HE MET 25 -15.641 -4.186 10.272 166 HE3 MET 25 2HE MET 25 -17.095 -3.302 10.736 167 H GLU 26 H GLU 26 -10.784 -2.067 11.372 168 HA GLU 26 HA GLU 26 -10.828 0.229 13.050 169 HB2 GLU 26 2HB GLU 26 -9.525 -2.453 13.170 170 HB3 GLU 26 1HB GLU 26 -8.920 -1.183 14.229 171 HG2 GLU 26 2HG GLU 26 -11.451 -0.887 14.814 172 HG3 GLU 26 1HG GLU 26 -11.562 -2.542 14.212 173 H PHE 27 H PHE 27 -8.284 -1.306 11.102 174 HA PHE 27 HA PHE 27 -6.249 0.508 11.735 175 HB2 PHE 27 2HB PHE 27 -6.469 -1.740 10.127 176 HB3 PHE 27 1HB PHE 27 -6.118 -0.448 8.983 177 HD1 PHE 27 2HD PHE 27 -4.905 -2.134 12.037 178 HD2 PHE 27 1HD PHE 27 -3.965 0.492 8.824 179 HE1 PHE 27 2HE PHE 27 -2.527 -2.228 12.662 180 HE2 PHE 27 1HE PHE 27 -1.586 0.405 9.445 181 HZ PHE 27 HZ PHE 27 -0.864 -0.956 11.366 182 H ILE 28 H ILE 28 -8.699 0.513 9.195 183 HA ILE 28 HA ILE 28 -7.832 2.876 7.901 184 HB ILE 28 HB ILE 28 -10.504 1.487 8.003 185 HG12 ILE 28 2HG1 ILE 28 -8.724 1.939 5.616 186 HG13 ILE 28 1HG1 ILE 28 -8.461 0.587 6.717 187 HG21 ILE 28 1HG2 ILE 28 -11.019 3.818 7.744 188 HG22 ILE 28 2HG2 ILE 28 -11.225 3.017 6.189 189 HG23 ILE 28 3HG2 ILE 28 -9.791 3.993 6.493 190 HD11 ILE 28 3HD1 ILE 28 -9.836 0.179 4.607 191 HD12 ILE 28 1HD1 ILE 28 -11.123 1.058 5.431 192 HD13 ILE 28 2HD1 ILE 28 -10.476 -0.428 6.134 193 H ALA 29 H ALA 29 -10.074 2.252 10.547 194 HA ALA 29 HA ALA 29 -10.968 4.948 10.798 195 HB1 ALA 29 1HB ALA 29 -11.112 2.644 12.744 196 HB2 ALA 29 2HB ALA 29 -12.351 3.119 11.580 197 HB3 ALA 29 3HB ALA 29 -11.950 4.187 12.925 198 H ALA 30 H ALA 30 -8.133 3.315 11.691 199 HA ALA 30 HA ALA 30 -7.510 5.202 13.843 200 HB1 ALA 30 1HB ALA 30 -5.962 2.799 12.883 201 HB2 ALA 30 2HB ALA 30 -7.081 2.822 14.247 202 HB3 ALA 30 3HB ALA 30 -5.598 3.774 14.308 203 H THR 31 H THR 31 -7.623 5.896 10.934 204 HA THR 31 HA THR 31 -5.333 7.568 10.855 205 HB THR 31 HB THR 31 -4.166 5.521 10.248 206 HG1 THR 31 1HG THR 31 -3.093 6.736 8.897 207 HG21 THR 31 3HG2 THR 31 -6.351 4.533 9.251 208 HG22 THR 31 1HG2 THR 31 -4.797 4.083 8.553 209 HG23 THR 31 2HG2 THR 31 -5.803 5.293 7.757 210 H GLU 32 H GLU 32 -5.311 8.989 9.029 211 HA GLU 32 HA GLU 32 -7.886 9.721 8.111 212 HB2 GLU 32 2HB GLU 32 -5.714 11.133 8.398 213 HB3 GLU 32 1HB GLU 32 -5.357 10.610 6.759 214 HG2 GLU 32 2HG GLU 32 -7.401 11.605 5.956 215 HG3 GLU 32 1HG GLU 32 -7.857 12.050 7.600 216 H VAL 33 H VAL 33 -5.180 9.128 5.888 217 HA VAL 33 HA VAL 33 -7.059 7.918 4.011 218 HB VAL 33 HB VAL 33 -4.159 8.583 3.526 219 HG11 VAL 33 1HG1 VAL 33 -6.486 8.105 1.664 220 HG12 VAL 33 2HG1 VAL 33 -5.077 7.062 1.893 221 HG13 VAL 33 3HG1 VAL 33 -4.885 8.657 1.161 222 HG21 VAL 33 3HG2 VAL 33 -6.611 10.286 3.133 223 HG22 VAL 33 1HG2 VAL 33 -5.020 10.658 2.469 224 HG23 VAL 33 2HG2 VAL 33 -5.255 10.606 4.216 225 H ALA 34 H ALA 34 -7.014 5.809 3.412 226 HA ALA 34 HA ALA 34 -4.803 4.130 4.344 227 HB1 ALA 34 1HB ALA 34 -7.716 3.635 4.920 228 HB2 ALA 34 2HB ALA 34 -6.419 3.898 6.088 229 HB3 ALA 34 3HB ALA 34 -6.452 2.422 5.119 230 H VAL 35 H VAL 35 -4.088 2.849 2.802 231 HA VAL 35 HA VAL 35 -5.921 2.126 0.616 232 HB VAL 35 HB VAL 35 -2.943 2.596 0.564 233 HG11 VAL 35 1HG1 VAL 35 -3.038 1.922 -1.815 234 HG12 VAL 35 2HG1 VAL 35 -4.699 1.381 -1.576 235 HG13 VAL 35 3HG1 VAL 35 -3.379 0.579 -0.724 236 HG21 VAL 35 3HG2 VAL 35 -5.309 3.807 -0.853 237 HG22 VAL 35 1HG2 VAL 35 -3.623 4.199 -1.211 238 HG23 VAL 35 2HG2 VAL 35 -4.300 4.572 0.378 239 H ILE 36 H ILE 36 -6.339 0.069 0.312 240 HA ILE 36 HA ILE 36 -4.600 -1.926 1.588 241 HB ILE 36 HB ILE 36 -7.607 -1.829 1.781 242 HG12 ILE 36 2HG1 ILE 36 -5.725 -1.841 4.104 243 HG13 ILE 36 1HG1 ILE 36 -5.992 -0.336 3.234 244 HG21 ILE 36 1HG2 ILE 36 -6.967 -4.118 1.598 245 HG22 ILE 36 2HG2 ILE 36 -7.278 -3.797 3.306 246 HG23 ILE 36 3HG2 ILE 36 -5.618 -3.894 2.714 247 HD11 ILE 36 3HD1 ILE 36 -8.434 -0.660 3.637 248 HD12 ILE 36 1HD1 ILE 36 -7.456 -0.372 5.076 249 HD13 ILE 36 2HD1 ILE 36 -8.005 -2.005 4.694 250 H GLY 37 H GLY 37 -4.263 -3.760 0.494 251 HA2 GLY 37 2HA GLY 37 -5.485 -3.956 -2.163 252 HA3 GLY 37 1HA GLY 37 -3.985 -4.716 -1.671 253 H PHE 38 H PHE 38 -7.405 -5.034 -1.891 254 HA PHE 38 HA PHE 38 -7.535 -7.447 -0.284 255 HB2 PHE 38 2HB PHE 38 -9.635 -6.255 -2.114 256 HB3 PHE 38 1HB PHE 38 -9.889 -7.489 -0.881 257 HD1 PHE 38 2HD PHE 38 -8.592 -4.009 -1.208 258 HD2 PHE 38 1HD PHE 38 -10.691 -6.842 1.170 259 HE1 PHE 38 2HE PHE 38 -9.073 -2.259 0.447 260 HE2 PHE 38 1HE PHE 38 -11.177 -5.092 2.828 261 HZ PHE 38 HZ PHE 38 -10.366 -2.799 2.467 262 H PHE 39 H PHE 39 -6.139 -8.866 -1.293 263 HA PHE 39 HA PHE 39 -6.778 -9.596 -4.069 264 HB2 PHE 39 2HB PHE 39 -4.260 -10.256 -2.549 265 HB3 PHE 39 1HB PHE 39 -4.535 -10.401 -4.282 266 HD1 PHE 39 1HD PHE 39 -5.709 -7.873 -5.026 267 HD2 PHE 39 2HD PHE 39 -2.614 -8.684 -2.222 268 HE1 PHE 39 1HE PHE 39 -4.821 -5.606 -5.356 269 HE2 PHE 39 2HE PHE 39 -1.721 -6.415 -2.548 270 HZ PHE 39 HZ PHE 39 -2.825 -4.872 -4.115 271 H GLN 40 H GLN 40 -7.311 -11.636 -4.624 272 HA GLN 40 HA GLN 40 -7.929 -13.496 -2.484 273 HB2 GLN 40 2HB GLN 40 -8.345 -13.698 -5.478 274 HB3 GLN 40 1HB GLN 40 -8.927 -14.865 -4.298 275 HG2 GLN 40 2HG GLN 40 -10.339 -13.146 -3.293 276 HG3 GLN 40 1HG GLN 40 -9.755 -11.976 -4.476 277 HE21 GLN 40 1HE2 GLN 40 -11.738 -14.779 -3.944 278 HE22 GLN 40 2HE2 GLN 40 -12.591 -14.712 -5.446 279 H ASP 41 H ASP 41 -5.357 -12.722 -4.397 280 HA ASP 41 HA ASP 41 -3.926 -15.154 -3.711 281 HB2 ASP 41 2HB ASP 41 -4.901 -15.539 -5.996 282 HB3 ASP 41 1HB ASP 41 -3.994 -14.137 -6.565 283 H LEU 42 H LEU 42 -2.041 -14.508 -2.843 284 HA LEU 42 HA LEU 42 -1.141 -11.791 -3.349 285 HB2 LEU 42 2HB LEU 42 -0.132 -13.863 -1.406 286 HB3 LEU 42 1HB LEU 42 0.465 -12.217 -1.519 287 HG LEU 42 HG LEU 42 -2.357 -12.994 -0.788 288 HD11 LEU 42 1HD1 LEU 42 -1.746 -12.217 1.458 289 HD12 LEU 42 2HD1 LEU 42 -0.081 -11.992 0.919 290 HD13 LEU 42 3HD1 LEU 42 -0.786 -13.609 0.957 291 HD21 LEU 42 3HD2 LEU 42 -2.508 -10.587 -0.133 292 HD22 LEU 42 1HD2 LEU 42 -2.365 -10.863 -1.870 293 HD23 LEU 42 2HD2 LEU 42 -0.962 -10.327 -0.942 294 H GLU 43 H GLU 43 -0.879 -13.315 -5.583 295 HA GLU 43 HA GLU 43 2.039 -13.413 -5.870 296 HB2 GLU 43 2HB GLU 43 0.140 -15.462 -7.028 297 HB3 GLU 43 1HB GLU 43 1.875 -15.405 -7.288 298 HG2 GLU 43 2HG GLU 43 2.257 -15.825 -4.930 299 HG3 GLU 43 1HG GLU 43 0.517 -15.846 -4.645 300 H ILE 44 H ILE 44 -0.528 -11.788 -6.632 301 HA ILE 44 HA ILE 44 -0.174 -11.643 -9.529 302 HB ILE 44 HB ILE 44 -2.022 -9.856 -9.262 303 HG12 ILE 44 2HG1 ILE 44 -2.720 -11.315 -6.763 304 HG13 ILE 44 1HG1 ILE 44 -1.557 -10.000 -6.667 305 HG21 ILE 44 1HG2 ILE 44 -2.277 -12.158 -10.190 306 HG22 ILE 44 2HG2 ILE 44 -3.728 -11.530 -9.406 307 HG23 ILE 44 3HG2 ILE 44 -2.714 -12.707 -8.569 308 HD11 ILE 44 3HD1 ILE 44 -3.315 -8.615 -7.887 309 HD12 ILE 44 1HD1 ILE 44 -3.596 -9.013 -6.193 310 HD13 ILE 44 2HD1 ILE 44 -4.432 -9.912 -7.460 311 HA PRO 45 HA PRO 45 2.397 -8.065 -9.791 312 HB2 PRO 45 2HB PRO 45 0.167 -6.792 -11.319 313 HB3 PRO 45 1HB PRO 45 1.876 -6.920 -11.736 314 HG2 PRO 45 2HG PRO 45 0.104 -8.497 -12.914 315 HG3 PRO 45 1HG PRO 45 1.677 -9.144 -12.408 316 HD2 PRO 45 2HD PRO 45 -1.009 -9.486 -11.148 317 HD3 PRO 45 1HD PRO 45 0.331 -10.641 -11.278 318 H ALA 46 H ALA 46 -0.960 -7.621 -8.887 319 HA ALA 46 HA ALA 46 -0.840 -4.957 -8.028 320 HB1 ALA 46 1HB ALA 46 -2.920 -5.346 -6.965 321 HB2 ALA 46 2HB ALA 46 -2.606 -7.078 -6.844 322 HB3 ALA 46 3HB ALA 46 -2.899 -6.344 -8.421 323 H VAL 47 H VAL 47 -0.116 -7.969 -6.301 324 HA VAL 47 HA VAL 47 0.017 -6.853 -3.736 325 HB VAL 47 HB VAL 47 1.792 -9.144 -4.506 326 HG11 VAL 47 1HG1 VAL 47 0.161 -8.513 -2.047 327 HG12 VAL 47 2HG1 VAL 47 1.906 -8.327 -2.216 328 HG13 VAL 47 3HG1 VAL 47 1.182 -9.935 -2.267 329 HG21 VAL 47 3HG2 VAL 47 -0.080 -10.664 -4.315 330 HG22 VAL 47 1HG2 VAL 47 -0.383 -9.502 -5.605 331 HG23 VAL 47 2HG2 VAL 47 -1.182 -9.316 -4.044 332 HA PRO 48 HA PRO 48 4.843 -6.375 -4.373 333 HB2 PRO 48 2HB PRO 48 4.966 -6.135 -7.329 334 HB3 PRO 48 1HB PRO 48 6.080 -6.943 -6.218 335 HG2 PRO 48 2HG PRO 48 4.440 -8.350 -7.780 336 HG3 PRO 48 1HG PRO 48 4.797 -8.869 -6.122 337 HD2 PRO 48 2HD PRO 48 2.365 -7.509 -7.201 338 HD3 PRO 48 1HD PRO 48 2.490 -8.798 -5.995 339 H ILE 49 H ILE 49 2.712 -5.031 -6.845 340 HA ILE 49 HA ILE 49 3.862 -2.481 -7.001 341 HB ILE 49 HB ILE 49 1.221 -3.636 -7.742 342 HG12 ILE 49 2HG1 ILE 49 2.985 -1.995 -9.497 343 HG13 ILE 49 1HG1 ILE 49 3.510 -3.611 -9.044 344 HG21 ILE 49 1HG2 ILE 49 0.730 -1.306 -8.746 345 HG22 ILE 49 2HG2 ILE 49 1.799 -0.726 -7.467 346 HG23 ILE 49 3HG2 ILE 49 0.340 -1.625 -7.057 347 HD11 ILE 49 3HD1 ILE 49 1.731 -4.623 -10.144 348 HD12 ILE 49 1HD1 ILE 49 2.241 -3.331 -11.232 349 HD13 ILE 49 2HD1 ILE 49 0.806 -3.123 -10.226 350 H LEU 50 H LEU 50 1.435 -3.823 -4.828 351 HA LEU 50 HA LEU 50 0.774 -1.307 -3.638 352 HB2 LEU 50 2HB LEU 50 -0.839 -3.084 -3.534 353 HB3 LEU 50 1HB LEU 50 0.304 -4.144 -2.743 354 HG LEU 50 HG LEU 50 0.296 -2.538 -0.795 355 HD11 LEU 50 1HD1 LEU 50 -1.506 -0.964 -0.593 356 HD12 LEU 50 2HD1 LEU 50 -2.151 -1.440 -2.164 357 HD13 LEU 50 3HD1 LEU 50 -0.597 -0.611 -2.062 358 HD21 LEU 50 3HD2 LEU 50 -1.589 -3.514 0.195 359 HD22 LEU 50 1HD2 LEU 50 -1.047 -4.693 -1.001 360 HD23 LEU 50 2HD2 LEU 50 -2.439 -3.660 -1.347 361 H HIS 51 H HIS 51 2.703 -4.110 -2.542 362 HA HIS 51 HA HIS 51 3.665 -3.030 -0.175 363 HB2 HIS 51 2HB HIS 51 4.969 -4.934 -2.127 364 HB3 HIS 51 1HB HIS 51 5.700 -4.505 -0.584 365 HD1 HIS 51 1HD HIS 51 5.386 -6.391 0.961 366 HD2 HIS 51 2HD HIS 51 2.015 -5.757 -1.382 367 HE1 HIS 51 1HE HIS 51 3.696 -8.080 1.746 368 HE2 HIS 51 2HE HIS 51 1.636 -7.623 0.368 369 H SER 52 H SER 52 4.422 -2.274 -3.449 370 HA SER 52 HA SER 52 6.880 -0.883 -2.847 371 HB2 SER 52 2HB SER 52 5.222 -1.021 -5.376 372 HB3 SER 52 1HB SER 52 6.779 -0.203 -5.246 373 HG SER 52 HG SER 52 6.643 -2.853 -4.398 374 H MET 53 H MET 53 3.556 0.005 -3.765 375 HA MET 53 HA MET 53 3.936 2.779 -3.790 376 HB2 MET 53 2HB MET 53 1.634 2.984 -3.934 377 HB3 MET 53 1HB MET 53 1.885 1.351 -4.534 378 HG2 MET 53 2HG MET 53 0.076 1.129 -3.116 379 HG3 MET 53 1HG MET 53 1.432 0.612 -2.121 380 HE1 MET 53 3HE MET 53 -1.162 1.184 -0.636 381 HE2 MET 53 1HE MET 53 -0.661 2.284 0.646 382 HE3 MET 53 2HE MET 53 0.362 0.915 0.209 383 H VAL 54 H VAL 54 3.619 0.499 -1.231 384 HA VAL 54 HA VAL 54 2.792 2.029 0.911 385 HB VAL 54 HB VAL 54 4.831 -0.184 0.821 386 HG11 VAL 54 1HG1 VAL 54 3.485 1.019 3.230 387 HG12 VAL 54 2HG1 VAL 54 5.192 1.170 2.814 388 HG13 VAL 54 3HG1 VAL 54 4.520 -0.409 3.229 389 HG21 VAL 54 3HG2 VAL 54 2.829 -1.370 1.951 390 HG22 VAL 54 1HG2 VAL 54 2.812 -1.125 0.205 391 HG23 VAL 54 2HG2 VAL 54 1.879 -0.059 1.252 392 H GLN 55 H GLN 55 6.075 1.612 -0.356 393 HA GLN 55 HA GLN 55 7.226 3.417 1.544 394 HB2 GLN 55 2HB GLN 55 8.521 2.551 -1.015 395 HB3 GLN 55 1HB GLN 55 9.267 2.925 0.534 396 HG2 GLN 55 2HG GLN 55 8.564 0.889 1.479 397 HG3 GLN 55 1HG GLN 55 7.453 0.569 0.147 398 HE21 GLN 55 1HE2 GLN 55 8.349 -1.415 -0.324 399 HE22 GLN 55 2HE2 GLN 55 9.905 -1.587 -1.053 400 H LYS 56 H LYS 56 5.450 3.801 -1.265 401 HA LYS 56 HA LYS 56 6.730 6.304 -2.056 402 HB2 LYS 56 2HB LYS 56 4.375 4.839 -3.261 403 HB3 LYS 56 1HB LYS 56 5.142 6.269 -3.933 404 HG2 LYS 56 2HG LYS 56 7.214 5.017 -4.242 405 HG3 LYS 56 1HG LYS 56 6.443 3.577 -3.570 406 HD2 LYS 56 2HD LYS 56 6.312 3.312 -5.903 407 HD3 LYS 56 1HD LYS 56 4.704 3.858 -5.415 408 HE2 LYS 56 2HE LYS 56 5.327 5.085 -7.364 409 HE3 LYS 56 1HE LYS 56 5.411 6.183 -5.985 410 HZ1 LYS 56 3HZ LYS 56 7.794 5.906 -5.926 411 HZ2 LYS 56 1HZ LYS 56 7.320 6.414 -7.469 412 HZ3 LYS 56 2HZ LYS 56 7.738 4.797 -7.203 413 H PHE 57 H PHE 57 4.136 5.105 -0.195 414 HA PHE 57 HA PHE 57 3.165 7.839 0.237 415 HB2 PHE 57 2HB PHE 57 1.533 5.415 -0.455 416 HB3 PHE 57 1HB PHE 57 0.830 6.776 0.417 417 HD1 PHE 57 2HD PHE 57 2.228 5.645 -2.772 418 HD2 PHE 57 1HD PHE 57 0.455 8.890 -0.665 419 HE1 PHE 57 2HE PHE 57 1.840 6.812 -4.903 420 HE2 PHE 57 1HE PHE 57 0.065 10.063 -2.793 421 HZ PHE 57 HZ PHE 57 0.758 9.024 -4.915 422 HA PRO 58 HA PRO 58 4.275 5.412 4.181 423 HB2 PRO 58 2HB PRO 58 5.331 7.752 5.286 424 HB3 PRO 58 1HB PRO 58 6.268 6.445 4.557 425 HG2 PRO 58 2HG PRO 58 5.357 9.025 3.352 426 HG3 PRO 58 1HG PRO 58 6.907 8.180 3.157 427 HD2 PRO 58 2HD PRO 58 5.074 8.071 1.236 428 HD3 PRO 58 1HD PRO 58 5.996 6.617 1.672 429 H GLY 59 H GLY 59 3.093 8.735 3.682 430 HA2 GLY 59 2HA GLY 59 1.724 9.044 6.098 431 HA3 GLY 59 1HA GLY 59 1.310 9.859 4.593 432 H VAL 60 H VAL 60 0.712 7.593 3.055 433 HA VAL 60 HA VAL 60 -1.987 7.128 3.785 434 HB VAL 60 HB VAL 60 -0.169 6.018 1.661 435 HG11 VAL 60 1HG1 VAL 60 -3.014 5.139 2.171 436 HG12 VAL 60 2HG1 VAL 60 -1.572 4.138 2.337 437 HG13 VAL 60 3HG1 VAL 60 -2.053 4.735 0.748 438 HG21 VAL 60 3HG2 VAL 60 -1.859 7.090 0.189 439 HG22 VAL 60 1HG2 VAL 60 -1.044 8.219 1.273 440 HG23 VAL 60 2HG2 VAL 60 -2.685 7.679 1.632 441 H SER 61 H SER 61 -2.972 5.269 4.612 442 HA SER 61 HA SER 61 -1.253 3.659 6.284 443 HB2 SER 61 2HB SER 61 -3.414 4.483 7.137 444 HB3 SER 61 1HB SER 61 -4.249 3.528 5.915 445 HG SER 61 HG SER 61 -4.227 2.077 7.447 446 H PHE 62 H PHE 62 -0.099 2.241 5.122 447 HA PHE 62 HA PHE 62 -1.046 0.806 2.887 448 HB2 PHE 62 2HB PHE 62 0.964 -0.721 3.474 449 HB3 PHE 62 1HB PHE 62 1.281 0.952 3.023 450 HD1 PHE 62 1HD PHE 62 1.155 -1.419 5.838 451 HD2 PHE 62 2HD PHE 62 2.188 2.514 4.581 452 HE1 PHE 62 1HE PHE 62 2.367 -1.068 7.948 453 HE2 PHE 62 2HE PHE 62 3.406 2.871 6.690 454 HZ PHE 62 HZ PHE 62 3.496 1.078 8.377 455 H GLY 63 H GLY 63 -2.237 -0.964 2.728 456 HA2 GLY 63 2HA GLY 63 -2.382 -2.838 4.965 457 HA3 GLY 63 1HA GLY 63 -3.882 -2.077 4.457 458 H ILE 64 H ILE 64 -3.470 -4.842 4.410 459 HA ILE 64 HA ILE 64 -4.127 -5.375 1.673 460 HB ILE 64 HB ILE 64 -1.515 -5.433 1.965 461 HG12 ILE 64 2HG1 ILE 64 -3.041 -7.608 0.531 462 HG13 ILE 64 1HG1 ILE 64 -2.714 -5.995 -0.091 463 HG21 ILE 64 1HG2 ILE 64 -1.457 -6.937 3.866 464 HG22 ILE 64 2HG2 ILE 64 -0.656 -7.667 2.475 465 HG23 ILE 64 3HG2 ILE 64 -2.281 -8.181 2.926 466 HD11 ILE 64 3HD1 ILE 64 -0.646 -8.090 0.544 467 HD12 ILE 64 1HD1 ILE 64 -0.326 -6.474 -0.086 468 HD13 ILE 64 2HD1 ILE 64 -1.215 -7.642 -1.064 469 H SER 65 H SER 65 -5.319 -7.246 1.456 470 HA SER 65 HA SER 65 -5.490 -9.067 3.726 471 HB2 SER 65 2HB SER 65 -7.137 -7.362 4.291 472 HB3 SER 65 1HB SER 65 -7.876 -7.515 2.697 473 HG SER 65 HG SER 65 -7.712 -9.585 4.634 474 H THR 66 H THR 66 -6.618 -11.023 3.283 475 HA THR 66 HA THR 66 -7.197 -11.565 0.460 476 HB THR 66 HB THR 66 -6.003 -13.709 0.569 477 HG1 THR 66 1HG THR 66 -5.496 -14.408 2.496 478 HG21 THR 66 3HG2 THR 66 -4.150 -11.467 1.349 479 HG22 THR 66 1HG2 THR 66 -4.892 -11.613 -0.244 480 HG23 THR 66 2HG2 THR 66 -3.789 -12.862 0.334 481 H ASP 67 H ASP 67 -8.056 -11.745 3.667 482 HA ASP 67 HA ASP 67 -9.368 -14.211 3.887 483 HB2 ASP 67 2HB ASP 67 -8.867 -12.628 5.769 484 HB3 ASP 67 1HB ASP 67 -10.186 -11.610 5.196 485 H SER 68 H SER 68 -11.436 -14.880 3.435 486 HA SER 68 HA SER 68 -12.725 -13.711 1.218 487 HB2 SER 68 2HB SER 68 -13.776 -15.760 3.185 488 HB3 SER 68 1HB SER 68 -14.500 -15.382 1.622 489 HG SER 68 HG SER 68 -11.796 -16.090 1.706 490 H GLU 69 H GLU 69 -13.632 -13.813 4.663 491 HA GLU 69 HA GLU 69 -16.045 -12.495 4.554 492 HB2 GLU 69 2HB GLU 69 -13.953 -12.137 6.700 493 HB3 GLU 69 1HB GLU 69 -15.678 -11.831 6.858 494 HG2 GLU 69 2HG GLU 69 -16.120 -14.213 6.469 495 HG3 GLU 69 1HG GLU 69 -14.382 -14.504 6.374 496 H VAL 70 H VAL 70 -12.811 -11.040 4.708 497 HA VAL 70 HA VAL 70 -13.788 -8.373 4.779 498 HB VAL 70 HB VAL 70 -11.064 -9.450 4.046 499 HG11 VAL 70 1HG1 VAL 70 -11.968 -6.602 4.420 500 HG12 VAL 70 2HG1 VAL 70 -11.303 -7.329 2.955 501 HG13 VAL 70 3HG1 VAL 70 -10.281 -7.114 4.378 502 HG21 VAL 70 3HG2 VAL 70 -11.563 -9.856 6.345 503 HG22 VAL 70 1HG2 VAL 70 -12.181 -8.217 6.554 504 HG23 VAL 70 2HG2 VAL 70 -10.459 -8.480 6.273 505 H LEU 71 H LEU 71 -12.276 -10.287 2.182 506 HA LEU 71 HA LEU 71 -12.599 -8.414 0.139 507 HB2 LEU 71 2HB LEU 71 -12.241 -11.374 0.225 508 HB3 LEU 71 1HB LEU 71 -12.680 -10.625 -1.299 509 HG LEU 71 HG LEU 71 -10.679 -9.361 -1.380 510 HD11 LEU 71 1HD1 LEU 71 -9.028 -9.361 0.448 511 HD12 LEU 71 2HD1 LEU 71 -10.176 -10.245 1.455 512 HD13 LEU 71 3HD1 LEU 71 -10.559 -8.614 0.905 513 HD21 LEU 71 3HD2 LEU 71 -8.936 -11.079 -1.249 514 HD22 LEU 71 1HD2 LEU 71 -10.404 -11.690 -2.014 515 HD23 LEU 71 2HD2 LEU 71 -10.037 -12.118 -0.343 516 H THR 72 H THR 72 -14.902 -10.229 1.819 517 HA THR 72 HA THR 72 -16.906 -10.114 -0.292 518 HB THR 72 HB THR 72 -17.070 -11.135 2.553 519 HG1 THR 72 1HG THR 72 -16.176 -12.228 0.260 520 HG21 THR 72 3HG2 THR 72 -19.227 -12.164 1.716 521 HG22 THR 72 1HG2 THR 72 -19.108 -11.080 0.328 522 HG23 THR 72 2HG2 THR 72 -19.258 -10.419 1.955 523 H HIS 73 H HIS 73 -16.197 -8.698 2.857 524 HA HIS 73 HA HIS 73 -18.543 -7.187 3.152 525 HB2 HIS 73 2HB HIS 73 -16.946 -7.615 4.987 526 HB3 HIS 73 1HB HIS 73 -15.765 -6.580 4.193 527 HD1 HIS 73 1HD HIS 73 -18.958 -6.459 6.143 528 HD2 HIS 73 2HD HIS 73 -16.193 -3.837 4.486 529 HE1 HIS 73 1HE HIS 73 -19.520 -4.201 7.094 530 HE2 HIS 73 2HE HIS 73 -17.776 -2.647 6.149 531 H TYR 74 H TYR 74 -15.510 -6.549 1.489 532 HA TYR 74 HA TYR 74 -16.420 -3.877 0.735 533 HB2 TYR 74 2HB TYR 74 -13.802 -5.332 0.373 534 HB3 TYR 74 1HB TYR 74 -14.131 -3.773 -0.376 535 HD1 TYR 74 2HD TYR 74 -14.128 -5.448 2.959 536 HD2 TYR 74 1HD TYR 74 -13.623 -1.827 0.784 537 HE1 TYR 74 2HE TYR 74 -13.411 -4.316 5.023 538 HE2 TYR 74 1HE TYR 74 -12.904 -0.685 2.841 539 HH TYR 74 HH TYR 74 -13.145 -0.942 5.270 540 H ASN 75 H ASN 75 -17.263 -6.725 -0.281 541 HA ASN 75 HA ASN 75 -18.061 -7.626 -2.208 542 HB2 ASN 75 2HB ASN 75 -18.024 -4.718 -3.019 543 HB3 ASN 75 1HB ASN 75 -18.777 -5.996 -3.973 544 HD21 ASN 75 1HD2 ASN 75 -18.953 -4.087 -1.081 545 HD22 ASN 75 2HD2 ASN 75 -20.572 -4.513 -0.654 546 H ILE 76 H ILE 76 -15.106 -7.201 -1.848 547 HA ILE 76 HA ILE 76 -13.855 -6.620 -4.282 548 HB ILE 76 HB ILE 76 -12.901 -8.606 -2.216 549 HG12 ILE 76 2HG1 ILE 76 -13.503 -6.478 -1.163 550 HG13 ILE 76 1HG1 ILE 76 -11.765 -6.721 -1.146 551 HG21 ILE 76 1HG2 ILE 76 -11.487 -7.030 -4.346 552 HG22 ILE 76 2HG2 ILE 76 -11.570 -8.780 -4.162 553 HG23 ILE 76 3HG2 ILE 76 -10.650 -7.814 -3.010 554 HD11 ILE 76 3HD1 ILE 76 -11.491 -5.165 -2.970 555 HD12 ILE 76 1HD1 ILE 76 -12.407 -4.408 -1.667 556 HD13 ILE 76 2HD1 ILE 76 -13.240 -4.984 -3.112 557 H THR 77 H THR 77 -13.966 -7.629 -6.175 558 HA THR 77 HA THR 77 -14.174 -10.551 -6.238 559 HB THR 77 HB THR 77 -15.820 -10.411 -8.106 560 HG1 THR 77 1HG THR 77 -15.760 -7.670 -7.372 561 HG21 THR 77 3HG2 THR 77 -16.708 -9.237 -5.472 562 HG22 THR 77 1HG2 THR 77 -16.579 -10.950 -5.865 563 HG23 THR 77 2HG2 THR 77 -17.774 -9.946 -6.684 564 H GLY 78 H GLY 78 -11.806 -9.521 -6.629 565 HA2 GLY 78 2HA GLY 78 -10.793 -10.411 -8.947 566 HA3 GLY 78 1HA GLY 78 -11.374 -8.821 -9.416 567 H ASN 79 H ASN 79 -9.806 -9.919 -6.414 568 HA ASN 79 HA ASN 79 -8.029 -9.072 -5.265 569 HB2 ASN 79 2HB ASN 79 -6.887 -8.757 -8.045 570 HB3 ASN 79 1HB ASN 79 -5.968 -8.856 -6.548 571 HD21 ASN 79 1HD2 ASN 79 -7.887 -10.605 -8.858 572 HD22 ASN 79 2HD2 ASN 79 -7.427 -12.189 -8.344 573 H THR 80 H THR 80 -10.013 -7.235 -5.632 574 HA THR 80 HA THR 80 -9.175 -4.781 -6.776 575 HB THR 80 HB THR 80 -11.310 -5.368 -4.715 576 HG1 THR 80 1HG THR 80 -12.411 -6.008 -6.392 577 HG21 THR 80 3HG2 THR 80 -12.285 -3.214 -5.321 578 HG22 THR 80 1HG2 THR 80 -10.932 -2.894 -6.406 579 HG23 THR 80 2HG2 THR 80 -10.662 -2.998 -4.668 580 H ILE 81 H ILE 81 -8.584 -2.855 -5.777 581 HA ILE 81 HA ILE 81 -7.415 -3.072 -3.075 582 HB ILE 81 HB ILE 81 -6.501 -1.416 -5.439 583 HG12 ILE 81 2HG1 ILE 81 -5.136 -3.615 -3.873 584 HG13 ILE 81 1HG1 ILE 81 -5.781 -3.760 -5.502 585 HG21 ILE 81 1HG2 ILE 81 -5.423 -1.411 -2.621 586 HG22 ILE 81 2HG2 ILE 81 -6.355 -0.114 -3.372 587 HG23 ILE 81 3HG2 ILE 81 -4.757 -0.524 -3.994 588 HD11 ILE 81 3HD1 ILE 81 -4.162 -2.041 -6.238 589 HD12 ILE 81 1HD1 ILE 81 -3.410 -3.513 -5.619 590 HD13 ILE 81 2HD1 ILE 81 -3.466 -2.064 -4.617 591 H CYS 82 H CYS 82 -8.494 -1.856 -1.615 592 HA CYS 82 HA CYS 82 -10.112 0.349 -2.675 593 HB2 CYS 82 2HB CYS 82 -10.459 -1.227 -0.134 594 HB3 CYS 82 1HB CYS 82 -11.465 0.132 -0.612 595 HG CYS 82 HG CYS 82 -12.940 -2.155 -1.092 596 H LEU 83 H LEU 83 -9.840 2.368 -2.067 597 HA LEU 83 HA LEU 83 -7.861 2.952 0.029 598 HB2 LEU 83 2HB LEU 83 -7.028 3.918 -1.897 599 HB3 LEU 83 1HB LEU 83 -8.616 4.293 -2.528 600 HG LEU 83 HG LEU 83 -8.831 6.197 -1.077 601 HD11 LEU 83 1HD1 LEU 83 -6.116 5.658 0.086 602 HD12 LEU 83 2HD1 LEU 83 -7.598 5.093 0.855 603 HD13 LEU 83 3HD1 LEU 83 -7.334 6.821 0.615 604 HD21 LEU 83 3HD2 LEU 83 -7.662 6.665 -3.095 605 HD22 LEU 83 1HD2 LEU 83 -6.149 6.044 -2.432 606 HD23 LEU 83 2HD2 LEU 83 -6.844 7.532 -1.795 607 H PHE 84 H PHE 84 -9.001 3.221 1.886 608 HA PHE 84 HA PHE 84 -11.495 4.746 1.816 609 HB2 PHE 84 2HB PHE 84 -11.019 2.486 3.118 610 HB3 PHE 84 1HB PHE 84 -10.405 3.589 4.343 611 HD1 PHE 84 2HD PHE 84 -12.021 5.598 4.914 612 HD2 PHE 84 1HD PHE 84 -13.236 1.912 3.168 613 HE1 PHE 84 2HE PHE 84 -14.319 5.984 5.709 614 HE2 PHE 84 1HE PHE 84 -15.535 2.290 3.959 615 HZ PHE 84 HZ PHE 84 -16.078 4.326 5.233 616 H ARG 85 H ARG 85 -11.493 6.853 2.250 617 HA ARG 85 HA ARG 85 -9.177 7.987 3.666 618 HB2 ARG 85 2HB ARG 85 -11.097 9.813 2.353 619 HB3 ARG 85 1HB ARG 85 -9.339 9.848 2.384 620 HG2 ARG 85 2HG ARG 85 -9.277 8.053 0.721 621 HG3 ARG 85 1HG ARG 85 -11.047 8.066 0.664 622 HD2 ARG 85 2HD ARG 85 -9.144 10.242 -0.178 623 HD3 ARG 85 1HD ARG 85 -10.292 9.353 -1.181 624 HE ARG 85 HE ARG 85 -11.633 10.758 0.888 625 HH11 ARG 85 1HH1 ARG 85 -10.047 11.205 -2.183 626 HH12 ARG 85 2HH1 ARG 85 -10.935 12.637 -2.579 627 HH21 ARG 85 1HH2 ARG 85 -12.808 12.645 0.374 628 HH22 ARG 85 2HH2 ARG 85 -12.509 13.453 -1.129 629 H LEU 86 H LEU 86 -10.009 7.339 5.702 630 HA LEU 86 HA LEU 86 -12.220 7.529 7.054 631 HB2 LEU 86 2HB LEU 86 -10.405 7.091 8.382 632 HB3 LEU 86 1HB LEU 86 -9.498 8.466 7.789 633 HG LEU 86 HG LEU 86 -10.992 9.960 9.113 634 HD11 LEU 86 1HD1 LEU 86 -12.355 8.961 10.884 635 HD12 LEU 86 2HD1 LEU 86 -11.998 7.353 10.251 636 HD13 LEU 86 3HD1 LEU 86 -12.929 8.497 9.283 637 HD21 LEU 86 3HD2 LEU 86 -9.993 9.377 11.292 638 HD22 LEU 86 1HD2 LEU 86 -8.826 9.355 9.969 639 HD23 LEU 86 2HD2 LEU 86 -9.464 7.839 10.611 640 H VAL 87 H VAL 87 -10.330 10.528 6.642 641 HA VAL 87 HA VAL 87 -11.920 12.353 7.834 642 HB VAL 87 HB VAL 87 -11.275 13.819 5.662 643 HG11 VAL 87 1HG1 VAL 87 -9.184 14.359 6.851 644 HG12 VAL 87 2HG1 VAL 87 -9.425 12.948 7.881 645 HG13 VAL 87 3HG1 VAL 87 -10.573 14.285 7.933 646 HG21 VAL 87 3HG2 VAL 87 -9.343 11.504 5.724 647 HG22 VAL 87 1HG2 VAL 87 -9.102 13.006 4.829 648 HG23 VAL 87 2HG2 VAL 87 -10.434 11.933 4.401 649 H ASP 88 H ASP 88 -12.245 11.664 4.340 650 HA ASP 88 HA ASP 88 -14.927 12.797 4.444 651 HB2 ASP 88 2HB ASP 88 -13.079 12.105 2.168 652 HB3 ASP 88 1HB ASP 88 -14.766 12.546 1.906 653 H ASN 89 H ASN 89 -13.939 10.025 5.321 654 HA ASN 89 HA ASN 89 -14.616 7.852 5.264 655 HB2 ASN 89 2HB ASN 89 -16.962 7.570 5.609 656 HB3 ASN 89 1HB ASN 89 -16.505 9.112 6.324 657 HD21 ASN 89 1HD2 ASN 89 -18.223 7.542 3.747 658 HD22 ASN 89 2HD2 ASN 89 -19.101 8.932 3.216 659 H GLU 90 H GLU 90 -13.836 8.960 2.640 660 HA GLU 90 HA GLU 90 -15.608 7.833 0.688 661 HB2 GLU 90 2HB GLU 90 -12.734 8.722 0.394 662 HB3 GLU 90 1HB GLU 90 -13.843 8.371 -0.924 663 HG2 GLU 90 2HG GLU 90 -14.210 10.547 1.110 664 HG3 GLU 90 1HG GLU 90 -13.566 10.769 -0.512 665 H GLN 91 H GLN 91 -15.062 6.097 -0.765 666 HA GLN 91 HA GLN 91 -13.040 4.216 0.167 667 HB2 GLN 91 2HB GLN 91 -15.097 3.583 1.354 668 HB3 GLN 91 1HB GLN 91 -15.943 3.454 -0.182 669 HG2 GLN 91 2HG GLN 91 -13.484 1.848 0.103 670 HG3 GLN 91 1HG GLN 91 -14.864 1.366 1.091 671 HE21 GLN 91 1HE2 GLN 91 -16.815 2.293 -0.859 672 HE22 GLN 91 2HE2 GLN 91 -16.799 1.142 -2.146 673 H LEU 92 H LEU 92 -11.909 4.596 -1.716 674 HA LEU 92 HA LEU 92 -13.137 4.346 -4.303 675 HB2 LEU 92 2HB LEU 92 -10.218 4.431 -3.516 676 HB3 LEU 92 1HB LEU 92 -10.823 4.525 -5.157 677 HG LEU 92 HG LEU 92 -10.239 6.727 -4.513 678 HD11 LEU 92 1HD1 LEU 92 -13.224 6.423 -4.259 679 HD12 LEU 92 2HD1 LEU 92 -12.310 6.617 -5.755 680 HD13 LEU 92 3HD1 LEU 92 -12.370 7.933 -4.579 681 HD21 LEU 92 3HD2 LEU 92 -10.282 6.212 -2.045 682 HD22 LEU 92 1HD2 LEU 92 -12.012 6.547 -2.095 683 HD23 LEU 92 2HD2 LEU 92 -10.856 7.811 -2.515 684 H ASN 93 H ASN 93 -12.992 2.591 -5.717 685 HA ASN 93 HA ASN 93 -11.854 0.147 -4.532 686 HB2 ASN 93 2HB ASN 93 -13.723 -0.997 -5.968 687 HB3 ASN 93 1HB ASN 93 -14.103 -0.336 -4.384 688 HD21 ASN 93 1HD2 ASN 93 -15.299 1.568 -4.241 689 HD22 ASN 93 2HD2 ASN 93 -16.215 2.175 -5.574 690 H LEU 94 H LEU 94 -9.948 0.248 -5.671 691 HA LEU 94 HA LEU 94 -9.888 0.409 -8.541 692 HB2 LEU 94 2HB LEU 94 -8.057 1.089 -6.823 693 HB3 LEU 94 1HB LEU 94 -7.662 -0.617 -6.791 694 HG LEU 94 HG LEU 94 -7.759 0.705 -9.448 695 HD11 LEU 94 1HD1 LEU 94 -6.561 2.355 -8.132 696 HD12 LEU 94 2HD1 LEU 94 -5.436 1.480 -9.172 697 HD13 LEU 94 3HD1 LEU 94 -5.528 1.096 -7.453 698 HD21 LEU 94 3HD2 LEU 94 -5.917 -0.835 -9.863 699 HD22 LEU 94 1HD2 LEU 94 -7.311 -1.686 -9.203 700 HD23 LEU 94 2HD2 LEU 94 -5.930 -1.324 -8.169 701 H GLU 95 H GLU 95 -11.406 -1.287 -8.968 702 HA GLU 95 HA GLU 95 -10.864 -3.975 -8.110 703 HB2 GLU 95 2HB GLU 95 -12.888 -3.025 -10.131 704 HB3 GLU 95 1HB GLU 95 -12.873 -4.570 -9.288 705 HG2 GLU 95 2HG GLU 95 -13.318 -3.508 -7.197 706 HG3 GLU 95 1HG GLU 95 -13.139 -1.909 -7.916 707 H ASP 96 H ASP 96 -11.637 -5.472 -10.259 708 HA ASP 96 HA ASP 96 -9.274 -6.149 -11.482 709 HB2 ASP 96 2HB ASP 96 -11.180 -7.640 -11.431 710 HB3 ASP 96 1HB ASP 96 -12.091 -6.569 -12.491 711 H GLU 97 H GLU 97 -11.741 -3.908 -12.706 712 HA GLU 97 HA GLU 97 -10.771 -3.579 -15.293 713 HB2 GLU 97 2HB GLU 97 -12.900 -2.613 -14.373 714 HB3 GLU 97 1HB GLU 97 -11.934 -1.383 -13.573 715 HG2 GLU 97 2HG GLU 97 -11.067 -0.710 -15.812 716 HG3 GLU 97 1HG GLU 97 -12.222 -1.832 -16.532 717 H ASP 98 H ASP 98 -9.332 -2.792 -12.352 718 HA ASP 98 HA ASP 98 -7.275 -1.196 -13.715 719 HB2 ASP 98 2HB ASP 98 -8.347 -0.788 -10.908 720 HB3 ASP 98 1HB ASP 98 -6.983 0.081 -11.611 721 H ILE 99 H ILE 99 -8.005 -3.930 -11.837 722 HA ILE 99 HA ILE 99 -5.350 -4.166 -10.664 723 HB ILE 99 HB ILE 99 -7.787 -5.940 -10.493 724 HG12 ILE 99 2HG1 ILE 99 -7.779 -3.757 -9.268 725 HG13 ILE 99 1HG1 ILE 99 -7.956 -5.169 -8.236 726 HG21 ILE 99 1HG2 ILE 99 -5.919 -7.415 -10.367 727 HG22 ILE 99 2HG2 ILE 99 -6.495 -7.154 -8.719 728 HG23 ILE 99 3HG2 ILE 99 -5.051 -6.320 -9.292 729 HD11 ILE 99 3HD1 ILE 99 -5.460 -3.544 -8.653 730 HD12 ILE 99 1HD1 ILE 99 -5.562 -5.013 -7.682 731 HD13 ILE 99 2HD1 ILE 99 -6.479 -3.582 -7.213 732 H GLU 100 H GLU 100 -7.252 -5.553 -13.264 733 HA GLU 100 HA GLU 100 -5.839 -7.831 -13.882 734 HB2 GLU 100 2HB GLU 100 -7.926 -6.901 -15.010 735 HB3 GLU 100 1HB GLU 100 -6.847 -5.905 -15.974 736 HG2 GLU 100 2HG GLU 100 -6.626 -8.897 -15.859 737 HG3 GLU 100 1HG GLU 100 -7.648 -8.056 -17.021 738 H SER 101 H SER 101 -5.224 -4.554 -15.129 739 HA SER 101 HA SER 101 -2.473 -5.400 -15.759 740 HB2 SER 101 2HB SER 101 -4.119 -3.211 -17.053 741 HB3 SER 101 1HB SER 101 -2.456 -3.623 -17.471 742 HG SER 101 HG SER 101 -4.652 -5.413 -17.640 743 H ILE 102 H ILE 102 -3.231 -4.585 -13.172 744 HA ILE 102 HA ILE 102 -2.822 -1.867 -12.636 745 HB ILE 102 HB ILE 102 -3.771 -3.406 -10.984 746 HG12 ILE 102 2HG1 ILE 102 -2.336 -2.638 -9.016 747 HG13 ILE 102 1HG1 ILE 102 -1.264 -1.915 -10.208 748 HG21 ILE 102 1HG2 ILE 102 -0.971 -4.529 -10.875 749 HG22 ILE 102 2HG2 ILE 102 -2.441 -5.373 -11.367 750 HG23 ILE 102 3HG2 ILE 102 -2.232 -4.870 -9.690 751 HD11 ILE 102 3HD1 ILE 102 -2.717 -0.226 -9.376 752 HD12 ILE 102 1HD1 ILE 102 -4.136 -1.219 -9.698 753 HD13 ILE 102 2HD1 ILE 102 -3.185 -0.584 -11.039 754 H ASP 103 H ASP 103 -1.046 -0.675 -12.114 755 HA ASP 103 HA ASP 103 1.579 -1.963 -12.178 756 HB2 ASP 103 2HB ASP 103 0.850 0.498 -13.776 757 HB3 ASP 103 1HB ASP 103 2.475 -0.153 -13.594 758 H ALA 104 H ALA 104 3.202 -0.831 -10.991 759 HA ALA 104 HA ALA 104 2.414 0.330 -8.636 760 HB1 ALA 104 1HB ALA 104 4.995 0.799 -10.113 761 HB2 ALA 104 2HB ALA 104 4.656 -0.484 -8.950 762 HB3 ALA 104 3HB ALA 104 4.704 1.198 -8.418 763 H THR 105 H THR 105 3.004 1.863 -11.726 764 HA THR 105 HA THR 105 2.889 4.551 -10.899 765 HB THR 105 HB THR 105 2.083 3.331 -13.546 766 HG1 THR 105 1HG THR 105 4.514 4.467 -12.588 767 HG21 THR 105 3HG2 THR 105 1.081 5.489 -13.370 768 HG22 THR 105 1HG2 THR 105 2.496 5.634 -14.413 769 HG23 THR 105 2HG2 THR 105 2.574 6.189 -12.739 770 H LYS 106 H LYS 106 0.389 2.345 -12.106 771 HA LYS 106 HA LYS 106 -1.761 4.134 -12.031 772 HB2 LYS 106 2HB LYS 106 -1.780 1.131 -11.654 773 HB3 LYS 106 1HB LYS 106 -3.184 2.120 -12.033 774 HG2 LYS 106 2HG LYS 106 -2.266 2.708 -14.169 775 HG3 LYS 106 1HG LYS 106 -0.750 1.886 -13.788 776 HD2 LYS 106 2HD LYS 106 -2.014 0.431 -15.195 777 HD3 LYS 106 1HD LYS 106 -2.078 -0.237 -13.563 778 HE2 LYS 106 2HE LYS 106 -4.273 -0.357 -14.538 779 HE3 LYS 106 1HE LYS 106 -4.282 0.854 -13.256 780 HZ1 LYS 106 3HZ LYS 106 -4.064 1.424 -16.164 781 HZ2 LYS 106 1HZ LYS 106 -4.087 2.582 -14.929 782 HZ3 LYS 106 2HZ LYS 106 -5.454 1.630 -15.223 783 H LEU 107 H LEU 107 -0.998 1.561 -9.650 784 HA LEU 107 HA LEU 107 -2.870 2.201 -7.742 785 HB2 LEU 107 2HB LEU 107 -0.692 0.503 -7.870 786 HB3 LEU 107 1HB LEU 107 -0.265 1.582 -6.560 787 HG LEU 107 HG LEU 107 -2.494 -0.407 -6.720 788 HD11 LEU 107 1HD1 LEU 107 -1.688 -0.827 -4.376 789 HD12 LEU 107 2HD1 LEU 107 -0.379 0.312 -4.702 790 HD13 LEU 107 3HD1 LEU 107 -0.519 -1.169 -5.651 791 HD21 LEU 107 3HD2 LEU 107 -3.671 1.623 -6.145 792 HD22 LEU 107 1HD2 LEU 107 -2.467 2.012 -4.915 793 HD23 LEU 107 2HD2 LEU 107 -3.518 0.610 -4.711 794 H SER 108 H SER 108 0.489 3.391 -7.850 795 HA SER 108 HA SER 108 0.298 5.201 -5.735 796 HB2 SER 108 2HB SER 108 2.050 5.311 -8.200 797 HB3 SER 108 1HB SER 108 2.281 6.299 -6.757 798 HG SER 108 HG SER 108 2.062 3.592 -6.288 799 H ARG 109 H ARG 109 -0.678 5.482 -9.074 800 HA ARG 109 HA ARG 109 -0.990 8.299 -9.111 801 HB2 ARG 109 2HB ARG 109 -0.787 6.885 -11.152 802 HB3 ARG 109 1HB ARG 109 -2.371 6.216 -10.815 803 HG2 ARG 109 2HG ARG 109 -2.001 9.165 -11.148 804 HG3 ARG 109 1HG ARG 109 -2.157 8.103 -12.549 805 HD2 ARG 109 2HD ARG 109 -4.274 7.225 -11.484 806 HD3 ARG 109 1HD ARG 109 -4.141 8.555 -10.329 807 HE ARG 109 HE ARG 109 -4.093 9.943 -12.541 808 HH11 ARG 109 1HH1 ARG 109 -6.018 7.122 -11.856 809 HH12 ARG 109 2HH1 ARG 109 -7.319 7.595 -12.898 810 HH21 ARG 109 1HH2 ARG 109 -5.804 10.579 -13.913 811 HH22 ARG 109 2HH2 ARG 109 -7.197 9.560 -14.067 812 H PHE 110 H PHE 110 -3.487 5.766 -9.208 813 HA PHE 110 HA PHE 110 -5.714 7.218 -8.665 814 HB2 PHE 110 2HB PHE 110 -4.921 4.444 -7.828 815 HB3 PHE 110 1HB PHE 110 -6.462 5.121 -7.302 816 HD1 PHE 110 1HD PHE 110 -4.479 4.104 -10.229 817 HD2 PHE 110 2HD PHE 110 -8.284 5.357 -8.800 818 HE1 PHE 110 1HE PHE 110 -5.489 3.467 -12.379 819 HE2 PHE 110 2HE PHE 110 -9.305 4.721 -10.947 820 HZ PHE 110 HZ PHE 110 -7.906 3.775 -12.741 821 H ILE 111 H ILE 111 -3.389 5.992 -6.284 822 HA ILE 111 HA ILE 111 -4.711 6.972 -3.998 823 HB ILE 111 HB ILE 111 -1.764 6.487 -4.474 824 HG12 ILE 111 2HG1 ILE 111 -3.747 4.835 -2.907 825 HG13 ILE 111 1HG1 ILE 111 -3.387 4.548 -4.603 826 HG21 ILE 111 1HG2 ILE 111 -1.535 6.519 -2.035 827 HG22 ILE 111 2HG2 ILE 111 -3.226 6.997 -1.887 828 HG23 ILE 111 3HG2 ILE 111 -2.066 8.081 -2.661 829 HD11 ILE 111 3HD1 ILE 111 -1.074 4.092 -4.063 830 HD12 ILE 111 1HD1 ILE 111 -2.145 3.054 -3.124 831 HD13 ILE 111 2HD1 ILE 111 -1.384 4.453 -2.365 832 H GLU 112 H GLU 112 -1.987 8.321 -5.847 833 HA GLU 112 HA GLU 112 -1.750 10.745 -4.531 834 HB2 GLU 112 2HB GLU 112 -0.206 9.825 -6.297 835 HB3 GLU 112 1HB GLU 112 -1.390 10.325 -7.502 836 HG2 GLU 112 2HG GLU 112 -1.126 12.644 -6.815 837 HG3 GLU 112 1HG GLU 112 0.033 12.157 -5.581 838 H ILE 113 H ILE 113 -4.228 9.584 -6.539 839 HA ILE 113 HA ILE 113 -5.237 12.203 -7.268 840 HB ILE 113 HB ILE 113 -5.719 9.432 -8.118 841 HG12 ILE 113 2HG1 ILE 113 -5.967 10.508 -10.302 842 HG13 ILE 113 1HG1 ILE 113 -5.966 12.090 -9.533 843 HG21 ILE 113 1HG2 ILE 113 -7.920 9.774 -7.313 844 HG22 ILE 113 2HG2 ILE 113 -7.958 9.968 -9.065 845 HG23 ILE 113 3HG2 ILE 113 -7.995 11.388 -8.019 846 HD11 ILE 113 3HD1 ILE 113 -3.679 10.136 -9.509 847 HD12 ILE 113 1HD1 ILE 113 -3.677 11.751 -8.801 848 HD13 ILE 113 2HD1 ILE 113 -3.813 11.555 -10.549 849 H ASN 114 H ASN 114 -6.029 9.561 -5.054 850 HA ASN 114 HA ASN 114 -8.136 11.283 -3.919 851 HB2 ASN 114 2HB ASN 114 -8.187 8.278 -4.218 852 HB3 ASN 114 1HB ASN 114 -9.373 9.215 -3.307 853 HD21 ASN 114 1HD2 ASN 114 -9.600 7.507 -5.727 854 HD22 ASN 114 2HD2 ASN 114 -10.366 8.505 -6.909 855 H SER 115 H SER 115 -5.313 11.008 -3.112 856 HA SER 115 HA SER 115 -5.388 9.551 -0.619 857 HB2 SER 115 2HB SER 115 -3.092 10.367 -0.317 858 HB3 SER 115 1HB SER 115 -3.306 9.693 -1.933 859 HG SER 115 HG SER 115 -3.919 12.238 -2.107 860 H LEU 116 H LEU 116 -7.395 11.506 -0.805 861 HA LEU 116 HA LEU 116 -6.563 13.815 0.714 862 HB2 LEU 116 2HB LEU 116 -9.330 12.925 -0.088 863 HB3 LEU 116 1HB LEU 116 -8.898 14.494 0.567 864 HG LEU 116 HG LEU 116 -8.072 13.381 -2.114 865 HD11 LEU 116 1HD1 LEU 116 -9.423 15.216 -3.002 866 HD12 LEU 116 2HD1 LEU 116 -9.890 15.665 -1.362 867 HD13 LEU 116 3HD1 LEU 116 -10.390 14.111 -2.027 868 HD21 LEU 116 3HD2 LEU 116 -6.264 14.710 -1.210 869 HD22 LEU 116 1HD2 LEU 116 -7.386 16.009 -0.803 870 HD23 LEU 116 2HD2 LEU 116 -7.078 15.608 -2.492 Start of MODEL 5 1 H GLU 1 H GLU 1 11.316 2.440 27.841 2 HA GLU 1 HA GLU 1 9.002 1.038 28.684 3 HB2 GLU 1 2HB GLU 1 8.408 3.736 27.453 4 HB3 GLU 1 1HB GLU 1 7.224 2.457 27.691 5 HG2 GLU 1 2HG GLU 1 7.509 2.593 30.088 6 HG3 GLU 1 1HG GLU 1 8.770 3.810 29.890 7 H VAL 2 H VAL 2 10.525 2.853 26.071 8 HA VAL 2 HA VAL 2 10.137 0.546 24.320 9 HB VAL 2 HB VAL 2 8.297 2.001 23.721 10 HG11 VAL 2 1HG1 VAL 2 9.144 4.104 24.577 11 HG12 VAL 2 2HG1 VAL 2 8.686 4.281 22.883 12 HG13 VAL 2 3HG1 VAL 2 10.387 4.140 23.327 13 HG21 VAL 2 3HG2 VAL 2 10.506 2.185 21.670 14 HG22 VAL 2 1HG2 VAL 2 8.779 2.334 21.355 15 HG23 VAL 2 2HG2 VAL 2 9.441 0.801 21.916 16 H GLU 3 H GLU 3 11.871 0.087 23.102 17 HA GLU 3 HA GLU 3 14.154 1.920 23.255 18 HB2 GLU 3 2HB GLU 3 14.042 -1.001 22.472 19 HB3 GLU 3 1HB GLU 3 15.506 -0.035 22.592 20 HG2 GLU 3 2HG GLU 3 15.090 0.288 24.982 21 HG3 GLU 3 1HG GLU 3 13.641 -0.708 24.856 22 H LYS 4 H LYS 4 15.670 1.347 21.157 23 HA LYS 4 HA LYS 4 14.477 2.729 19.030 24 HB2 LYS 4 2HB LYS 4 16.900 0.920 18.947 25 HB3 LYS 4 1HB LYS 4 16.475 2.127 17.741 26 HG2 LYS 4 2HG LYS 4 17.161 2.697 20.618 27 HG3 LYS 4 1HG LYS 4 18.243 2.899 19.240 28 HD2 LYS 4 2HD LYS 4 16.723 4.560 18.286 29 HD3 LYS 4 1HD LYS 4 15.627 4.349 19.652 30 HE2 LYS 4 2HE LYS 4 17.422 5.099 21.168 31 HE3 LYS 4 1HE LYS 4 18.461 5.373 19.771 32 HZ1 LYS 4 3HZ LYS 4 15.883 6.748 20.309 33 HZ2 LYS 4 1HZ LYS 4 16.871 7.006 18.958 34 HZ3 LYS 4 2HZ LYS 4 17.423 7.421 20.502 35 H SER 5 H SER 5 15.792 -0.541 18.621 36 HA SER 5 HA SER 5 15.146 -2.236 17.234 37 HB2 SER 5 2HB SER 5 12.884 -3.106 17.715 38 HB3 SER 5 1HB SER 5 13.743 -2.667 19.191 39 HG SER 5 HG SER 5 11.382 -1.838 18.438 40 H SER 6 H SER 6 15.521 -0.438 15.509 41 HA SER 6 HA SER 6 13.206 -0.537 13.729 42 HB2 SER 6 2HB SER 6 13.481 1.836 13.107 43 HB3 SER 6 1HB SER 6 13.053 1.654 14.808 44 HG SER 6 HG SER 6 15.631 1.612 14.811 45 H ASP 7 H ASP 7 16.587 -0.518 14.273 46 HA ASP 7 HA ASP 7 17.234 -0.298 11.439 47 HB2 ASP 7 2HB ASP 7 18.998 -0.644 13.873 48 HB3 ASP 7 1HB ASP 7 19.595 -0.491 12.222 49 H GLY 8 H GLY 8 19.016 -1.950 10.719 50 HA2 GLY 8 2HA GLY 8 19.742 -4.297 11.087 51 HA3 GLY 8 1HA GLY 8 18.063 -4.644 11.474 52 HA PRO 9 HA PRO 9 19.183 -5.539 6.900 53 HB2 PRO 9 2HB PRO 9 17.778 -8.033 7.729 54 HB3 PRO 9 1HB PRO 9 19.184 -7.830 6.677 55 HG2 PRO 9 2HG PRO 9 19.477 -8.726 9.163 56 HG3 PRO 9 1HG PRO 9 20.650 -7.597 8.460 57 HD2 PRO 9 2HD PRO 9 18.482 -7.084 10.447 58 HD3 PRO 9 1HD PRO 9 20.105 -6.375 10.340 59 H GLY 10 H GLY 10 17.757 -4.497 5.665 60 HA2 GLY 10 2HA GLY 10 15.769 -4.148 4.530 61 HA3 GLY 10 1HA GLY 10 15.031 -5.411 5.501 62 H ALA 11 H ALA 11 14.072 -2.718 4.727 63 HA ALA 11 HA ALA 11 13.175 -1.904 7.373 64 HB1 ALA 11 1HB ALA 11 14.614 -0.021 5.511 65 HB2 ALA 11 2HB ALA 11 15.134 -0.524 7.121 66 HB3 ALA 11 3HB ALA 11 13.696 0.481 6.930 67 H ALA 12 H ALA 12 12.949 -1.973 3.951 68 HA ALA 12 HA ALA 12 10.903 -0.265 3.329 69 HB1 ALA 12 1HB ALA 12 12.148 -1.624 1.704 70 HB2 ALA 12 2HB ALA 12 10.403 -1.713 1.460 71 HB3 ALA 12 3HB ALA 12 11.256 -3.050 2.236 72 H GLN 13 H GLN 13 9.324 -0.043 4.846 73 HA GLN 13 HA GLN 13 7.960 -1.955 6.267 74 HB2 GLN 13 2HB GLN 13 6.079 -0.306 6.329 75 HB3 GLN 13 1HB GLN 13 7.649 0.371 6.743 76 HG2 GLN 13 2HG GLN 13 7.847 1.277 4.476 77 HG3 GLN 13 1HG GLN 13 6.261 0.613 4.085 78 HE21 GLN 13 1HE2 GLN 13 5.403 2.634 3.632 79 HE22 GLN 13 2HE2 GLN 13 5.047 3.786 4.869 80 H GLU 14 H GLU 14 5.923 -2.976 6.012 81 HA GLU 14 HA GLU 14 5.094 -3.358 3.210 82 HB2 GLU 14 2HB GLU 14 4.667 -5.683 3.659 83 HB3 GLU 14 1HB GLU 14 6.310 -5.318 4.163 84 HG2 GLU 14 2HG GLU 14 5.445 -5.078 6.499 85 HG3 GLU 14 1HG GLU 14 3.897 -5.687 5.913 86 HA PRO 15 HA PRO 15 0.980 -2.306 4.354 87 HB2 PRO 15 2HB PRO 15 -0.524 -4.182 3.044 88 HB3 PRO 15 1HB PRO 15 0.218 -2.783 2.263 89 HG2 PRO 15 2HG PRO 15 1.147 -5.616 2.358 90 HG3 PRO 15 1HG PRO 15 1.188 -4.461 1.014 91 HD2 PRO 15 2HD PRO 15 3.372 -5.048 2.499 92 HD3 PRO 15 1HD PRO 15 3.108 -3.449 1.776 93 H THR 16 H THR 16 -0.566 -2.713 5.864 94 HA THR 16 HA THR 16 -0.051 -4.597 7.878 95 HB THR 16 HB THR 16 -2.729 -3.288 7.409 96 HG1 THR 16 1HG THR 16 -0.382 -2.206 8.620 97 HG21 THR 16 3HG2 THR 16 -1.282 -4.051 9.948 98 HG22 THR 16 1HG2 THR 16 -2.582 -4.981 9.205 99 HG23 THR 16 2HG2 THR 16 -2.902 -3.363 9.829 100 H TRP 17 H TRP 17 -1.293 -6.385 8.597 101 HA TRP 17 HA TRP 17 -2.464 -7.912 6.389 102 HB2 TRP 17 2HB TRP 17 -1.481 -8.808 9.105 103 HB3 TRP 17 1HB TRP 17 -2.126 -9.875 7.860 104 HD1 TRP 17 HD TRP 17 0.997 -7.930 8.819 105 HE1 TRP 17 1HE TRP 17 2.927 -8.623 7.265 106 HE3 TRP 17 3HE TRP 17 -1.638 -10.729 5.447 107 HZ2 TRP 17 2HZ TRP 17 3.287 -10.155 4.923 108 HZ3 TRP 17 3HZ TRP 17 -0.424 -11.775 3.579 109 HH2 TRP 17 HH TRP 17 1.986 -11.492 3.323 110 H LEU 18 H LEU 18 -4.531 -7.012 6.357 111 HA LEU 18 HA LEU 18 -6.152 -7.038 8.773 112 HB2 LEU 18 2HB LEU 18 -6.995 -6.345 5.962 113 HB3 LEU 18 1HB LEU 18 -7.818 -5.924 7.452 114 HG LEU 18 HG LEU 18 -5.106 -4.885 6.632 115 HD11 LEU 18 1HD1 LEU 18 -6.241 -2.766 6.238 116 HD12 LEU 18 2HD1 LEU 18 -7.792 -3.529 6.585 117 HD13 LEU 18 3HD1 LEU 18 -6.857 -4.034 5.178 118 HD21 LEU 18 3HD2 LEU 18 -5.240 -3.434 8.509 119 HD22 LEU 18 1HD2 LEU 18 -5.554 -5.067 9.091 120 HD23 LEU 18 2HD2 LEU 18 -6.890 -3.940 8.864 121 H THR 19 H THR 19 -5.990 -9.385 9.015 122 HA THR 19 HA THR 19 -7.157 -11.131 7.074 123 HB THR 19 HB THR 19 -6.882 -12.890 8.718 124 HG1 THR 19 1HG THR 19 -6.975 -12.418 10.775 125 HG21 THR 19 3HG2 THR 19 -4.474 -12.675 9.164 126 HG22 THR 19 1HG2 THR 19 -4.558 -10.961 8.757 127 HG23 THR 19 2HG2 THR 19 -4.879 -12.178 7.522 128 H ASP 20 H ASP 20 -8.574 -8.968 9.172 129 HA ASP 20 HA ASP 20 -11.110 -10.414 8.991 130 HB2 ASP 20 2HB ASP 20 -10.038 -9.215 11.552 131 HB3 ASP 20 1HB ASP 20 -11.672 -9.837 11.336 132 H VAL 21 H VAL 21 -12.955 -9.141 8.968 133 HA VAL 21 HA VAL 21 -12.787 -6.683 7.698 134 HB VAL 21 HB VAL 21 -15.130 -7.516 9.407 135 HG11 VAL 21 1HG1 VAL 21 -14.959 -5.900 6.868 136 HG12 VAL 21 2HG1 VAL 21 -15.219 -5.254 8.487 137 HG13 VAL 21 3HG1 VAL 21 -16.434 -6.296 7.748 138 HG21 VAL 21 3HG2 VAL 21 -14.423 -9.404 8.007 139 HG22 VAL 21 1HG2 VAL 21 -14.515 -8.372 6.580 140 HG23 VAL 21 2HG2 VAL 21 -15.977 -8.751 7.491 141 HA PRO 22 HA PRO 22 -13.753 -4.588 12.039 142 HB2 PRO 22 2HB PRO 22 -12.553 -5.951 14.123 143 HB3 PRO 22 1HB PRO 22 -14.275 -6.016 13.736 144 HG2 PRO 22 2HG PRO 22 -12.095 -7.932 13.019 145 HG3 PRO 22 1HG PRO 22 -13.754 -8.267 13.549 146 HD2 PRO 22 2HD PRO 22 -13.064 -8.460 10.977 147 HD3 PRO 22 1HD PRO 22 -14.649 -7.813 11.451 148 H ALA 23 H ALA 23 -10.802 -6.577 11.808 149 HA ALA 23 HA ALA 23 -9.067 -4.638 12.893 150 HB1 ALA 23 1HB ALA 23 -8.418 -6.973 12.784 151 HB2 ALA 23 2HB ALA 23 -7.255 -5.982 11.901 152 HB3 ALA 23 3HB ALA 23 -8.459 -6.922 11.022 153 H ALA 24 H ALA 24 -10.165 -5.348 9.664 154 HA ALA 24 HA ALA 24 -8.418 -3.658 8.237 155 HB1 ALA 24 1HB ALA 24 -9.656 -5.286 7.018 156 HB2 ALA 24 2HB ALA 24 -10.237 -3.706 6.484 157 HB3 ALA 24 3HB ALA 24 -11.195 -4.663 7.616 158 H MET 25 H MET 25 -11.789 -3.143 9.257 159 HA MET 25 HA MET 25 -11.951 -0.440 8.532 160 HB2 MET 25 2HB MET 25 -13.498 -1.843 10.718 161 HB3 MET 25 1HB MET 25 -13.967 -0.369 9.882 162 HG2 MET 25 2HG MET 25 -14.056 -1.684 7.766 163 HG3 MET 25 1HG MET 25 -13.777 -3.135 8.723 164 HE1 MET 25 3HE MET 25 -15.464 -4.005 10.610 165 HE2 MET 25 1HE MET 25 -16.969 -3.181 11.019 166 HE3 MET 25 2HE MET 25 -15.422 -2.419 11.382 167 H GLU 26 H GLU 26 -10.605 -2.001 11.343 168 HA GLU 26 HA GLU 26 -10.632 0.303 13.023 169 HB2 GLU 26 2HB GLU 26 -9.307 -2.369 13.124 170 HB3 GLU 26 1HB GLU 26 -8.700 -1.089 14.168 171 HG2 GLU 26 2HG GLU 26 -11.126 -0.794 14.910 172 HG3 GLU 26 1HG GLU 26 -11.410 -2.358 14.146 173 H PHE 27 H PHE 27 -8.087 -1.260 11.083 174 HA PHE 27 HA PHE 27 -6.105 0.643 11.628 175 HB2 PHE 27 2HB PHE 27 -6.497 -1.451 9.553 176 HB3 PHE 27 1HB PHE 27 -5.309 -0.195 9.214 177 HD1 PHE 27 1HD PHE 27 -3.326 0.049 10.604 178 HD2 PHE 27 2HD PHE 27 -6.129 -3.079 11.282 179 HE1 PHE 27 1HE PHE 27 -1.678 -1.117 12.010 180 HE2 PHE 27 2HE PHE 27 -4.487 -4.252 12.690 181 HZ PHE 27 HZ PHE 27 -2.258 -3.269 13.056 182 H ILE 28 H ILE 28 -8.737 0.583 9.323 183 HA ILE 28 HA ILE 28 -7.842 2.876 7.850 184 HB ILE 28 HB ILE 28 -10.480 1.429 7.999 185 HG12 ILE 28 2HG1 ILE 28 -8.679 1.892 5.620 186 HG13 ILE 28 1HG1 ILE 28 -8.472 0.523 6.711 187 HG21 ILE 28 1HG2 ILE 28 -9.855 3.932 6.441 188 HG22 ILE 28 2HG2 ILE 28 -11.061 3.744 7.710 189 HG23 ILE 28 3HG2 ILE 28 -11.266 2.912 6.171 190 HD11 ILE 28 3HD1 ILE 28 -10.567 -0.387 6.109 191 HD12 ILE 28 1HD1 ILE 28 -9.770 0.079 4.608 192 HD13 ILE 28 2HD1 ILE 28 -11.047 1.093 5.277 193 H ALA 29 H ALA 29 -10.027 2.291 10.549 194 HA ALA 29 HA ALA 29 -10.990 4.973 10.714 195 HB1 ALA 29 1HB ALA 29 -11.920 4.249 12.890 196 HB2 ALA 29 2HB ALA 29 -11.080 2.708 12.709 197 HB3 ALA 29 3HB ALA 29 -12.342 3.168 11.564 198 H ALA 30 H ALA 30 -8.135 3.395 11.729 199 HA ALA 30 HA ALA 30 -7.565 5.384 13.796 200 HB1 ALA 30 1HB ALA 30 -5.609 4.015 14.303 201 HB2 ALA 30 2HB ALA 30 -5.979 2.970 12.932 202 HB3 ALA 30 3HB ALA 30 -7.083 3.047 14.303 203 H THR 31 H THR 31 -7.668 5.994 10.870 204 HA THR 31 HA THR 31 -5.379 7.680 10.768 205 HB THR 31 HB THR 31 -4.248 5.602 10.156 206 HG1 THR 31 1HG THR 31 -4.308 6.763 7.665 207 HG21 THR 31 3HG2 THR 31 -4.902 4.203 8.438 208 HG22 THR 31 1HG2 THR 31 -5.871 5.449 7.651 209 HG23 THR 31 2HG2 THR 31 -6.452 4.681 9.127 210 H GLU 32 H GLU 32 -5.386 9.106 8.960 211 HA GLU 32 HA GLU 32 -7.962 9.823 8.042 212 HB2 GLU 32 2HB GLU 32 -5.776 11.230 8.337 213 HB3 GLU 32 1HB GLU 32 -5.450 10.736 6.681 214 HG2 GLU 32 2HG GLU 32 -7.452 11.777 5.906 215 HG3 GLU 32 1HG GLU 32 -7.971 12.111 7.557 216 H VAL 33 H VAL 33 -5.185 9.059 5.929 217 HA VAL 33 HA VAL 33 -7.072 7.911 3.999 218 HB VAL 33 HB VAL 33 -4.164 8.549 3.528 219 HG11 VAL 33 1HG1 VAL 33 -4.867 8.606 1.162 220 HG12 VAL 33 2HG1 VAL 33 -6.486 8.091 1.656 221 HG13 VAL 33 3HG1 VAL 33 -5.100 7.023 1.908 222 HG21 VAL 33 3HG2 VAL 33 -4.986 10.627 2.457 223 HG22 VAL 33 1HG2 VAL 33 -5.249 10.589 4.201 224 HG23 VAL 33 2HG2 VAL 33 -6.592 10.277 3.101 225 H ALA 34 H ALA 34 -6.993 5.803 3.360 226 HA ALA 34 HA ALA 34 -4.803 4.120 4.325 227 HB1 ALA 34 1HB ALA 34 -6.468 2.416 5.101 228 HB2 ALA 34 2HB ALA 34 -7.716 3.650 4.925 229 HB3 ALA 34 3HB ALA 34 -6.400 3.885 6.075 230 H VAL 35 H VAL 35 -4.098 2.827 2.784 231 HA VAL 35 HA VAL 35 -5.947 2.098 0.614 232 HB VAL 35 HB VAL 35 -2.971 2.570 0.516 233 HG11 VAL 35 1HG1 VAL 35 -3.446 0.552 -0.764 234 HG12 VAL 35 2HG1 VAL 35 -3.096 1.893 -1.856 235 HG13 VAL 35 3HG1 VAL 35 -4.762 1.371 -1.602 236 HG21 VAL 35 3HG2 VAL 35 -3.681 4.170 -1.257 237 HG22 VAL 35 1HG2 VAL 35 -4.302 4.556 0.351 238 HG23 VAL 35 2HG2 VAL 35 -5.358 3.798 -0.842 239 H ILE 36 H ILE 36 -6.317 0.027 0.259 240 HA ILE 36 HA ILE 36 -4.571 -1.953 1.544 241 HB ILE 36 HB ILE 36 -7.576 -1.863 1.774 242 HG12 ILE 36 2HG1 ILE 36 -5.672 -1.878 4.078 243 HG13 ILE 36 1HG1 ILE 36 -5.927 -0.374 3.203 244 HG21 ILE 36 1HG2 ILE 36 -6.977 -4.149 1.599 245 HG22 ILE 36 2HG2 ILE 36 -7.193 -3.825 3.321 246 HG23 ILE 36 3HG2 ILE 36 -5.567 -3.936 2.640 247 HD11 ILE 36 3HD1 ILE 36 -7.361 -0.439 5.099 248 HD12 ILE 36 1HD1 ILE 36 -7.996 -2.014 4.623 249 HD13 ILE 36 2HD1 ILE 36 -8.342 -0.590 3.641 250 H GLY 37 H GLY 37 -4.226 -3.781 0.443 251 HA2 GLY 37 2HA GLY 37 -5.481 -3.994 -2.195 252 HA3 GLY 37 1HA GLY 37 -3.969 -4.744 -1.720 253 H PHE 38 H PHE 38 -7.372 -5.088 -1.941 254 HA PHE 38 HA PHE 38 -7.489 -7.497 -0.321 255 HB2 PHE 38 2HB PHE 38 -9.611 -6.313 -2.129 256 HB3 PHE 38 1HB PHE 38 -9.847 -7.526 -0.876 257 HD1 PHE 38 1HD PHE 38 -8.571 -4.052 -1.288 258 HD2 PHE 38 2HD PHE 38 -10.590 -6.855 1.192 259 HE1 PHE 38 1HE PHE 38 -9.012 -2.279 0.351 260 HE2 PHE 38 2HE PHE 38 -11.038 -5.080 2.836 261 HZ PHE 38 HZ PHE 38 -10.249 -2.788 2.417 262 H PHE 39 H PHE 39 -6.188 -8.996 -1.308 263 HA PHE 39 HA PHE 39 -6.853 -9.694 -4.088 264 HB2 PHE 39 2HB PHE 39 -4.302 -10.357 -2.628 265 HB3 PHE 39 1HB PHE 39 -4.619 -10.500 -4.356 266 HD1 PHE 39 1HD PHE 39 -5.794 -7.990 -5.096 267 HD2 PHE 39 2HD PHE 39 -2.673 -8.767 -2.310 268 HE1 PHE 39 1HE PHE 39 -4.920 -5.720 -5.450 269 HE2 PHE 39 2HE PHE 39 -1.793 -6.497 -2.660 270 HZ PHE 39 HZ PHE 39 -2.917 -4.970 -4.230 271 H GLN 40 H GLN 40 -7.257 -11.766 -4.665 272 HA GLN 40 HA GLN 40 -7.847 -13.642 -2.509 273 HB2 GLN 40 2HB GLN 40 -8.439 -13.757 -5.479 274 HB3 GLN 40 1HB GLN 40 -8.943 -14.968 -4.309 275 HG2 GLN 40 2HG GLN 40 -10.348 -13.370 -3.187 276 HG3 GLN 40 1HG GLN 40 -9.767 -12.076 -4.233 277 HE21 GLN 40 1HE2 GLN 40 -11.761 -14.916 -4.016 278 HE22 GLN 40 2HE2 GLN 40 -12.638 -14.660 -5.483 279 H ASP 41 H ASP 41 -5.308 -12.786 -4.304 280 HA ASP 41 HA ASP 41 -3.875 -15.242 -3.838 281 HB2 ASP 41 2HB ASP 41 -4.949 -15.577 -6.090 282 HB3 ASP 41 1HB ASP 41 -4.068 -14.160 -6.667 283 H LEU 42 H LEU 42 -2.072 -14.508 -2.895 284 HA LEU 42 HA LEU 42 -1.162 -11.816 -3.443 285 HB2 LEU 42 2HB LEU 42 -0.110 -13.892 -1.525 286 HB3 LEU 42 1HB LEU 42 0.461 -12.235 -1.630 287 HG LEU 42 HG LEU 42 -2.336 -13.074 -0.870 288 HD11 LEU 42 1HD1 LEU 42 -1.727 -12.292 1.364 289 HD12 LEU 42 2HD1 LEU 42 -0.083 -11.977 0.810 290 HD13 LEU 42 3HD1 LEU 42 -0.699 -13.629 0.849 291 HD21 LEU 42 3HD2 LEU 42 -2.402 -10.946 -1.970 292 HD22 LEU 42 1HD2 LEU 42 -1.016 -10.368 -1.043 293 HD23 LEU 42 2HD2 LEU 42 -2.554 -10.672 -0.236 294 H GLU 43 H GLU 43 -0.934 -13.357 -5.677 295 HA GLU 43 HA GLU 43 1.976 -13.442 -6.012 296 HB2 GLU 43 2HB GLU 43 -0.001 -15.550 -6.858 297 HB3 GLU 43 1HB GLU 43 1.591 -15.408 -7.593 298 HG2 GLU 43 2HG GLU 43 1.253 -15.640 -4.635 299 HG3 GLU 43 1HG GLU 43 1.271 -17.064 -5.676 300 H ILE 44 H ILE 44 -0.545 -11.769 -6.728 301 HA ILE 44 HA ILE 44 -0.243 -11.642 -9.635 302 HB ILE 44 HB ILE 44 -2.083 -9.845 -9.336 303 HG12 ILE 44 2HG1 ILE 44 -2.778 -11.342 -6.863 304 HG13 ILE 44 1HG1 ILE 44 -1.603 -10.043 -6.743 305 HG21 ILE 44 1HG2 ILE 44 -2.322 -12.164 -10.276 306 HG22 ILE 44 2HG2 ILE 44 -3.781 -11.496 -9.544 307 HG23 ILE 44 3HG2 ILE 44 -2.821 -12.689 -8.665 308 HD11 ILE 44 3HD1 ILE 44 -3.604 -9.013 -6.255 309 HD12 ILE 44 1HD1 ILE 44 -4.483 -9.919 -7.487 310 HD13 ILE 44 2HD1 ILE 44 -3.369 -8.637 -7.963 311 HA PRO 45 HA PRO 45 2.343 -8.074 -9.914 312 HB2 PRO 45 2HB PRO 45 0.090 -6.808 -11.423 313 HB3 PRO 45 1HB PRO 45 1.800 -6.916 -11.849 314 HG2 PRO 45 2HG PRO 45 0.048 -8.509 -13.024 315 HG3 PRO 45 1HG PRO 45 1.621 -9.148 -12.510 316 HD2 PRO 45 2HD PRO 45 -1.070 -9.493 -11.253 317 HD3 PRO 45 1HD PRO 45 0.272 -10.648 -11.384 318 H ALA 46 H ALA 46 -0.993 -7.644 -8.939 319 HA ALA 46 HA ALA 46 -0.848 -4.964 -8.096 320 HB1 ALA 46 1HB ALA 46 -2.934 -5.335 -7.027 321 HB2 ALA 46 2HB ALA 46 -2.648 -7.074 -6.939 322 HB3 ALA 46 3HB ALA 46 -2.926 -6.306 -8.502 323 H VAL 47 H VAL 47 -0.109 -7.981 -6.400 324 HA VAL 47 HA VAL 47 -0.003 -6.883 -3.818 325 HB VAL 47 HB VAL 47 1.756 -9.180 -4.618 326 HG11 VAL 47 1HG1 VAL 47 1.919 -8.348 -2.327 327 HG12 VAL 47 2HG1 VAL 47 1.218 -9.965 -2.366 328 HG13 VAL 47 3HG1 VAL 47 0.181 -8.559 -2.118 329 HG21 VAL 47 3HG2 VAL 47 -0.526 -9.431 -5.636 330 HG22 VAL 47 1HG2 VAL 47 -1.183 -9.408 -3.999 331 HG23 VAL 47 2HG2 VAL 47 -0.080 -10.692 -4.488 332 HA PRO 48 HA PRO 48 4.821 -6.393 -4.449 333 HB2 PRO 48 2HB PRO 48 4.946 -6.117 -7.398 334 HB3 PRO 48 1HB PRO 48 6.055 -6.948 -6.296 335 HG2 PRO 48 2HG PRO 48 4.410 -8.321 -7.885 336 HG3 PRO 48 1HG PRO 48 4.761 -8.868 -6.235 337 HD2 PRO 48 2HD PRO 48 2.340 -7.470 -7.294 338 HD3 PRO 48 1HD PRO 48 2.452 -8.787 -6.115 339 H ILE 49 H ILE 49 2.690 -5.018 -6.904 340 HA ILE 49 HA ILE 49 3.848 -2.473 -7.037 341 HB ILE 49 HB ILE 49 1.207 -3.614 -7.793 342 HG12 ILE 49 2HG1 ILE 49 2.988 -1.956 -9.518 343 HG13 ILE 49 1HG1 ILE 49 3.492 -3.587 -9.090 344 HG21 ILE 49 1HG2 ILE 49 0.318 -1.612 -7.097 345 HG22 ILE 49 2HG2 ILE 49 0.729 -1.265 -8.775 346 HG23 ILE 49 3HG2 ILE 49 1.784 -0.710 -7.477 347 HD11 ILE 49 3HD1 ILE 49 1.707 -4.560 -10.216 348 HD12 ILE 49 1HD1 ILE 49 2.237 -3.256 -11.278 349 HD13 ILE 49 2HD1 ILE 49 0.800 -3.046 -10.277 350 H LEU 50 H LEU 50 1.365 -3.807 -4.908 351 HA LEU 50 HA LEU 50 0.737 -1.305 -3.682 352 HB2 LEU 50 2HB LEU 50 -0.895 -3.055 -3.577 353 HB3 LEU 50 1HB LEU 50 0.248 -4.152 -2.831 354 HG LEU 50 HG LEU 50 0.296 -2.585 -0.848 355 HD11 LEU 50 1HD1 LEU 50 -2.152 -1.434 -2.172 356 HD12 LEU 50 2HD1 LEU 50 -0.597 -0.617 -2.023 357 HD13 LEU 50 3HD1 LEU 50 -1.523 -1.021 -0.577 358 HD21 LEU 50 3HD2 LEU 50 -1.062 -4.728 -1.067 359 HD22 LEU 50 1HD2 LEU 50 -2.454 -3.684 -1.373 360 HD23 LEU 50 2HD2 LEU 50 -1.581 -3.568 0.159 361 H HIS 51 H HIS 51 2.641 -4.127 -2.612 362 HA HIS 51 HA HIS 51 3.616 -3.055 -0.243 363 HB2 HIS 51 2HB HIS 51 4.859 -5.015 -2.178 364 HB3 HIS 51 1HB HIS 51 5.606 -4.592 -0.639 365 HD1 HIS 51 1HD HIS 51 5.238 -6.464 0.915 366 HD2 HIS 51 2HD HIS 51 1.871 -5.713 -1.402 367 HE1 HIS 51 1HE HIS 51 3.488 -8.073 1.732 368 HE2 HIS 51 2HE HIS 51 1.442 -7.562 0.354 369 H SER 52 H SER 52 4.316 -2.265 -3.496 370 HA SER 52 HA SER 52 6.836 -0.958 -2.922 371 HB2 SER 52 2HB SER 52 6.529 -2.051 -5.095 372 HB3 SER 52 1HB SER 52 5.156 -1.002 -5.444 373 HG SER 52 HG SER 52 7.540 0.249 -4.766 374 H MET 53 H MET 53 3.515 -0.018 -3.776 375 HA MET 53 HA MET 53 3.945 2.755 -3.810 376 HB2 MET 53 2HB MET 53 1.646 2.996 -3.945 377 HB3 MET 53 1HB MET 53 1.874 1.369 -4.563 378 HG2 MET 53 2HG MET 53 0.069 1.145 -3.148 379 HG3 MET 53 1HG MET 53 1.419 0.617 -2.150 380 HE1 MET 53 3HE MET 53 0.220 0.914 0.150 381 HE2 MET 53 1HE MET 53 -1.252 1.255 -0.759 382 HE3 MET 53 2HE MET 53 -0.765 2.318 0.562 383 H VAL 54 H VAL 54 3.585 0.466 -1.266 384 HA VAL 54 HA VAL 54 2.775 1.979 0.887 385 HB VAL 54 HB VAL 54 4.791 -0.253 0.769 386 HG11 VAL 54 1HG1 VAL 54 5.222 1.037 2.768 387 HG12 VAL 54 2HG1 VAL 54 4.460 -0.497 3.189 388 HG13 VAL 54 3HG1 VAL 54 3.512 0.989 3.192 389 HG21 VAL 54 3HG2 VAL 54 2.781 -1.409 1.924 390 HG22 VAL 54 1HG2 VAL 54 2.759 -1.170 0.177 391 HG23 VAL 54 2HG2 VAL 54 1.848 -0.086 1.225 392 H GLN 55 H GLN 55 6.096 1.521 -0.300 393 HA GLN 55 HA GLN 55 7.215 3.330 1.606 394 HB2 GLN 55 2HB GLN 55 8.531 2.498 -0.955 395 HB3 GLN 55 1HB GLN 55 9.270 2.885 0.593 396 HG2 GLN 55 2HG GLN 55 8.438 0.835 1.549 397 HG3 GLN 55 1HG GLN 55 7.565 0.465 0.062 398 HE21 GLN 55 1HE2 GLN 55 10.778 1.850 0.171 399 HE22 GLN 55 2HE2 GLN 55 11.601 0.475 -0.473 400 H LYS 56 H LYS 56 5.520 3.715 -1.279 401 HA LYS 56 HA LYS 56 6.779 6.243 -2.000 402 HB2 LYS 56 2HB LYS 56 4.436 4.795 -3.247 403 HB3 LYS 56 1HB LYS 56 5.221 6.225 -3.899 404 HG2 LYS 56 2HG LYS 56 7.278 4.979 -4.216 405 HG3 LYS 56 1HG LYS 56 6.533 3.544 -3.510 406 HD2 LYS 56 2HD LYS 56 6.412 3.248 -5.849 407 HD3 LYS 56 1HD LYS 56 4.789 3.725 -5.343 408 HE2 LYS 56 2HE LYS 56 5.272 4.983 -7.287 409 HE3 LYS 56 1HE LYS 56 5.438 6.092 -5.926 410 HZ1 LYS 56 3HZ LYS 56 7.676 4.715 -7.310 411 HZ2 LYS 56 1HZ LYS 56 7.830 5.792 -6.014 412 HZ3 LYS 56 2HZ LYS 56 7.251 6.340 -7.505 413 H PHE 57 H PHE 57 4.190 5.032 -0.155 414 HA PHE 57 HA PHE 57 3.193 7.759 0.266 415 HB2 PHE 57 2HB PHE 57 1.606 5.311 -0.422 416 HB3 PHE 57 1HB PHE 57 0.881 6.618 0.512 417 HD1 PHE 57 1HD PHE 57 0.641 8.864 -0.485 418 HD2 PHE 57 2HD PHE 57 1.990 5.524 -2.751 419 HE1 PHE 57 1HE PHE 57 0.156 10.086 -2.564 420 HE2 PHE 57 2HE PHE 57 1.510 6.740 -4.834 421 HZ PHE 57 HZ PHE 57 0.593 9.024 -4.745 422 HA PRO 58 HA PRO 58 4.359 5.376 4.221 423 HB2 PRO 58 2HB PRO 58 5.457 7.705 5.292 424 HB3 PRO 58 1HB PRO 58 6.372 6.391 4.547 425 HG2 PRO 58 2HG PRO 58 5.452 8.974 3.356 426 HG3 PRO 58 1HG PRO 58 6.995 8.124 3.138 427 HD2 PRO 58 2HD PRO 58 5.131 8.015 1.247 428 HD3 PRO 58 1HD PRO 58 6.059 6.561 1.669 429 H GLY 59 H GLY 59 3.088 8.617 3.566 430 HA2 GLY 59 2HA GLY 59 1.792 9.011 6.040 431 HA3 GLY 59 1HA GLY 59 1.379 9.812 4.528 432 H VAL 60 H VAL 60 0.733 7.543 3.018 433 HA VAL 60 HA VAL 60 -1.966 7.121 3.776 434 HB VAL 60 HB VAL 60 -0.179 5.972 1.647 435 HG11 VAL 60 1HG1 VAL 60 -3.035 5.132 2.170 436 HG12 VAL 60 2HG1 VAL 60 -1.605 4.114 2.353 437 HG13 VAL 60 3HG1 VAL 60 -2.073 4.697 0.757 438 HG21 VAL 60 3HG2 VAL 60 -1.882 7.047 0.184 439 HG22 VAL 60 1HG2 VAL 60 -1.027 8.173 1.238 440 HG23 VAL 60 2HG2 VAL 60 -2.670 7.668 1.635 441 H SER 61 H SER 61 -2.975 5.264 4.597 442 HA SER 61 HA SER 61 -1.267 3.642 6.275 443 HB2 SER 61 2HB SER 61 -3.398 4.489 7.157 444 HB3 SER 61 1HB SER 61 -4.269 3.572 5.930 445 HG SER 61 HG SER 61 -3.946 2.629 8.152 446 H PHE 62 H PHE 62 -0.129 2.260 5.042 447 HA PHE 62 HA PHE 62 -1.112 0.808 2.844 448 HB2 PHE 62 2HB PHE 62 0.927 -0.703 3.407 449 HB3 PHE 62 1HB PHE 62 1.209 0.966 2.912 450 HD1 PHE 62 2HD PHE 62 1.178 -1.344 5.778 451 HD2 PHE 62 1HD PHE 62 2.146 2.566 4.409 452 HE1 PHE 62 2HE PHE 62 2.452 -0.941 7.842 453 HE2 PHE 62 1HE PHE 62 3.420 2.978 6.473 454 HZ PHE 62 HZ PHE 62 3.575 1.222 8.194 455 H GLY 63 H GLY 63 -2.240 -1.013 2.689 456 HA2 GLY 63 2HA GLY 63 -2.308 -2.887 4.924 457 HA3 GLY 63 1HA GLY 63 -3.837 -2.152 4.464 458 H ILE 64 H ILE 64 -3.425 -4.897 4.386 459 HA ILE 64 HA ILE 64 -4.105 -5.430 1.651 460 HB ILE 64 HB ILE 64 -1.475 -5.517 1.961 461 HG12 ILE 64 2HG1 ILE 64 -3.019 -7.648 0.473 462 HG13 ILE 64 1HG1 ILE 64 -2.712 -6.018 -0.108 463 HG21 ILE 64 1HG2 ILE 64 -0.676 -7.785 2.423 464 HG22 ILE 64 2HG2 ILE 64 -2.314 -8.272 2.848 465 HG23 ILE 64 3HG2 ILE 64 -1.471 -7.074 3.825 466 HD11 ILE 64 3HD1 ILE 64 -0.638 -8.130 0.439 467 HD12 ILE 64 1HD1 ILE 64 -0.308 -6.484 -0.102 468 HD13 ILE 64 2HD1 ILE 64 -1.201 -7.594 -1.144 469 H SER 65 H SER 65 -5.183 -7.419 1.411 470 HA SER 65 HA SER 65 -5.359 -9.198 3.691 471 HB2 SER 65 2HB SER 65 -6.995 -7.529 4.332 472 HB3 SER 65 1HB SER 65 -7.758 -7.620 2.744 473 HG SER 65 HG SER 65 -8.979 -8.960 3.898 474 H THR 66 H THR 66 -6.547 -11.132 3.272 475 HA THR 66 HA THR 66 -7.176 -11.664 0.460 476 HB THR 66 HB THR 66 -6.020 -13.839 0.567 477 HG1 THR 66 1HG THR 66 -4.473 -14.071 2.343 478 HG21 THR 66 3HG2 THR 66 -4.140 -11.576 1.226 479 HG22 THR 66 1HG2 THR 66 -4.905 -11.804 -0.347 480 HG23 THR 66 2HG2 THR 66 -3.787 -13.019 0.273 481 H ASP 67 H ASP 67 -8.080 -11.720 3.618 482 HA ASP 67 HA ASP 67 -9.404 -14.189 3.901 483 HB2 ASP 67 2HB ASP 67 -8.912 -12.710 5.802 484 HB3 ASP 67 1HB ASP 67 -10.051 -11.521 5.175 485 H SER 68 H SER 68 -11.501 -14.813 3.517 486 HA SER 68 HA SER 68 -12.768 -13.702 1.251 487 HB2 SER 68 2HB SER 68 -14.566 -15.338 1.720 488 HB3 SER 68 1HB SER 68 -12.965 -16.073 1.790 489 HG SER 68 HG SER 68 -13.151 -16.331 3.905 490 H GLU 69 H GLU 69 -13.754 -13.745 4.684 491 HA GLU 69 HA GLU 69 -16.130 -12.372 4.489 492 HB2 GLU 69 2HB GLU 69 -14.100 -12.098 6.703 493 HB3 GLU 69 1HB GLU 69 -15.808 -11.693 6.806 494 HG2 GLU 69 2HG GLU 69 -16.408 -14.015 6.464 495 HG3 GLU 69 1HG GLU 69 -14.707 -14.443 6.290 496 H VAL 70 H VAL 70 -12.872 -10.990 4.723 497 HA VAL 70 HA VAL 70 -13.798 -8.305 4.770 498 HB VAL 70 HB VAL 70 -11.086 -9.457 4.108 499 HG11 VAL 70 1HG1 VAL 70 -11.931 -6.578 4.361 500 HG12 VAL 70 2HG1 VAL 70 -11.221 -7.368 2.953 501 HG13 VAL 70 3HG1 VAL 70 -10.254 -7.121 4.408 502 HG21 VAL 70 3HG2 VAL 70 -11.863 -7.851 6.522 503 HG22 VAL 70 1HG2 VAL 70 -10.448 -8.877 6.292 504 HG23 VAL 70 2HG2 VAL 70 -12.046 -9.605 6.470 505 H LEU 71 H LEU 71 -12.318 -10.290 2.217 506 HA LEU 71 HA LEU 71 -12.560 -8.422 0.148 507 HB2 LEU 71 2HB LEU 71 -12.213 -11.373 0.295 508 HB3 LEU 71 1HB LEU 71 -12.676 -10.679 -1.246 509 HG LEU 71 HG LEU 71 -10.682 -9.394 -1.381 510 HD11 LEU 71 1HD1 LEU 71 -10.513 -8.622 0.893 511 HD12 LEU 71 2HD1 LEU 71 -8.995 -9.381 0.413 512 HD13 LEU 71 3HD1 LEU 71 -10.123 -10.249 1.452 513 HD21 LEU 71 3HD2 LEU 71 -8.929 -11.131 -1.210 514 HD22 LEU 71 1HD2 LEU 71 -10.389 -11.689 -2.028 515 HD23 LEU 71 2HD2 LEU 71 -10.082 -12.162 -0.357 516 H THR 72 H THR 72 -14.929 -10.171 1.805 517 HA THR 72 HA THR 72 -16.877 -10.058 -0.362 518 HB THR 72 HB THR 72 -17.144 -11.045 2.488 519 HG1 THR 72 1HG THR 72 -17.508 -12.965 0.703 520 HG21 THR 72 3HG2 THR 72 -19.295 -10.296 1.745 521 HG22 THR 72 1HG2 THR 72 -19.277 -12.055 1.627 522 HG23 THR 72 2HG2 THR 72 -19.086 -11.071 0.175 523 H HIS 73 H HIS 73 -16.242 -8.653 2.811 524 HA HIS 73 HA HIS 73 -18.562 -7.110 3.056 525 HB2 HIS 73 2HB HIS 73 -16.975 -7.530 4.910 526 HB3 HIS 73 1HB HIS 73 -15.793 -6.493 4.118 527 HD1 HIS 73 1HD HIS 73 -18.914 -6.398 6.142 528 HD2 HIS 73 2HD HIS 73 -16.336 -3.729 4.271 529 HE1 HIS 73 1HE HIS 73 -19.531 -4.131 7.035 530 HE2 HIS 73 2HE HIS 73 -18.030 -2.521 5.809 531 H TYR 74 H TYR 74 -15.441 -6.411 1.545 532 HA TYR 74 HA TYR 74 -16.358 -3.774 0.730 533 HB2 TYR 74 2HB TYR 74 -13.738 -5.225 0.338 534 HB3 TYR 74 1HB TYR 74 -14.067 -3.623 -0.313 535 HD1 TYR 74 1HD TYR 74 -14.026 -5.510 2.904 536 HD2 TYR 74 2HD TYR 74 -13.603 -1.741 0.975 537 HE1 TYR 74 1HE TYR 74 -13.317 -4.507 5.033 538 HE2 TYR 74 2HE TYR 74 -12.890 -0.727 3.100 539 HH TYR 74 HH TYR 74 -13.125 -1.162 5.519 540 H ASN 75 H ASN 75 -17.241 -6.582 -0.294 541 HA ASN 75 HA ASN 75 -18.013 -7.486 -2.227 542 HB2 ASN 75 2HB ASN 75 -19.035 -5.117 -2.186 543 HB3 ASN 75 1HB ASN 75 -17.884 -4.756 -3.467 544 HD21 ASN 75 1HD2 ASN 75 -20.779 -4.792 -3.571 545 HD22 ASN 75 2HD2 ASN 75 -21.210 -5.941 -4.786 546 H ILE 76 H ILE 76 -15.101 -7.247 -1.850 547 HA ILE 76 HA ILE 76 -13.815 -6.613 -4.285 548 HB ILE 76 HB ILE 76 -12.872 -8.589 -2.205 549 HG12 ILE 76 2HG1 ILE 76 -13.467 -6.470 -1.143 550 HG13 ILE 76 1HG1 ILE 76 -11.726 -6.695 -1.149 551 HG21 ILE 76 1HG2 ILE 76 -10.619 -7.798 -2.994 552 HG22 ILE 76 2HG2 ILE 76 -11.454 -7.017 -4.335 553 HG23 ILE 76 3HG2 ILE 76 -11.536 -8.766 -4.147 554 HD11 ILE 76 3HD1 ILE 76 -11.498 -5.141 -2.985 555 HD12 ILE 76 1HD1 ILE 76 -12.389 -4.392 -1.660 556 HD13 ILE 76 2HD1 ILE 76 -13.250 -4.970 -3.087 557 H THR 77 H THR 77 -13.978 -7.630 -6.173 558 HA THR 77 HA THR 77 -14.158 -10.554 -6.214 559 HB THR 77 HB THR 77 -15.866 -10.477 -8.004 560 HG1 THR 77 1HG THR 77 -16.312 -8.606 -8.866 561 HG21 THR 77 3HG2 THR 77 -16.720 -9.115 -5.450 562 HG22 THR 77 1HG2 THR 77 -16.547 -10.855 -5.684 563 HG23 THR 77 2HG2 THR 77 -17.777 -9.965 -6.578 564 H GLY 78 H GLY 78 -11.821 -9.368 -6.669 565 HA2 GLY 78 2HA GLY 78 -10.886 -10.295 -9.046 566 HA3 GLY 78 1HA GLY 78 -11.446 -8.677 -9.444 567 H ASN 79 H ASN 79 -9.849 -9.886 -6.508 568 HA ASN 79 HA ASN 79 -8.034 -9.104 -5.369 569 HB2 ASN 79 2HB ASN 79 -6.905 -8.727 -8.146 570 HB3 ASN 79 1HB ASN 79 -5.992 -8.957 -6.658 571 HD21 ASN 79 1HD2 ASN 79 -5.954 -10.506 -9.119 572 HD22 ASN 79 2HD2 ASN 79 -6.364 -12.125 -8.679 573 H THR 80 H THR 80 -9.991 -7.236 -5.703 574 HA THR 80 HA THR 80 -9.145 -4.774 -6.810 575 HB THR 80 HB THR 80 -11.257 -5.374 -4.727 576 HG1 THR 80 1HG THR 80 -11.614 -6.366 -6.769 577 HG21 THR 80 3HG2 THR 80 -10.879 -2.899 -6.417 578 HG22 THR 80 1HG2 THR 80 -10.626 -3.009 -4.676 579 HG23 THR 80 2HG2 THR 80 -12.242 -3.219 -5.348 580 H ILE 81 H ILE 81 -8.605 -2.844 -5.768 581 HA ILE 81 HA ILE 81 -7.400 -3.086 -3.084 582 HB ILE 81 HB ILE 81 -6.484 -1.421 -5.439 583 HG12 ILE 81 2HG1 ILE 81 -5.116 -3.631 -3.890 584 HG13 ILE 81 1HG1 ILE 81 -5.777 -3.772 -5.515 585 HG21 ILE 81 1HG2 ILE 81 -6.339 -0.145 -3.349 586 HG22 ILE 81 2HG2 ILE 81 -4.746 -0.529 -3.999 587 HG23 ILE 81 3HG2 ILE 81 -5.385 -1.443 -2.632 588 HD11 ILE 81 3HD1 ILE 81 -3.456 -2.070 -4.649 589 HD12 ILE 81 1HD1 ILE 81 -4.160 -2.062 -6.267 590 HD13 ILE 81 2HD1 ILE 81 -3.400 -3.528 -5.641 591 H CYS 82 H CYS 82 -8.498 -1.889 -1.621 592 HA CYS 82 HA CYS 82 -10.100 0.336 -2.667 593 HB2 CYS 82 2HB CYS 82 -10.447 -1.251 -0.132 594 HB3 CYS 82 1HB CYS 82 -11.456 0.108 -0.610 595 HG CYS 82 HG CYS 82 -11.774 -1.578 -3.183 596 H LEU 83 H LEU 83 -9.802 2.346 -2.064 597 HA LEU 83 HA LEU 83 -7.862 2.916 0.065 598 HB2 LEU 83 2HB LEU 83 -6.971 3.871 -1.833 599 HB3 LEU 83 1HB LEU 83 -8.537 4.228 -2.525 600 HG LEU 83 HG LEU 83 -8.813 6.146 -1.098 601 HD11 LEU 83 1HD1 LEU 83 -7.374 6.808 0.617 602 HD12 LEU 83 2HD1 LEU 83 -6.107 5.688 0.110 603 HD13 LEU 83 3HD1 LEU 83 -7.579 5.073 0.864 604 HD21 LEU 83 3HD2 LEU 83 -6.906 7.522 -1.842 605 HD22 LEU 83 1HD2 LEU 83 -7.582 6.526 -3.130 606 HD23 LEU 83 2HD2 LEU 83 -6.076 6.051 -2.347 607 H PHE 84 H PHE 84 -9.016 3.252 1.902 608 HA PHE 84 HA PHE 84 -11.495 4.796 1.755 609 HB2 PHE 84 2HB PHE 84 -11.181 2.557 3.064 610 HB3 PHE 84 1HB PHE 84 -10.425 3.580 4.281 611 HD1 PHE 84 1HD PHE 84 -11.773 5.507 5.226 612 HD2 PHE 84 2HD PHE 84 -13.501 2.380 2.915 613 HE1 PHE 84 1HE PHE 84 -13.991 6.074 6.125 614 HE2 PHE 84 2HE PHE 84 -15.724 2.941 3.808 615 HZ PHE 84 HZ PHE 84 -15.971 4.791 5.416 616 H ARG 85 H ARG 85 -11.530 6.893 2.252 617 HA ARG 85 HA ARG 85 -9.198 8.018 3.662 618 HB2 ARG 85 2HB ARG 85 -11.082 9.869 2.341 619 HB3 ARG 85 1HB ARG 85 -9.324 9.869 2.371 620 HG2 ARG 85 2HG ARG 85 -9.281 8.102 0.695 621 HG3 ARG 85 1HG ARG 85 -11.052 8.100 0.658 622 HD2 ARG 85 2HD ARG 85 -9.185 10.304 -0.192 623 HD3 ARG 85 1HD ARG 85 -10.314 9.395 -1.196 624 HE ARG 85 HE ARG 85 -11.733 10.727 0.838 625 HH11 ARG 85 1HH1 ARG 85 -9.969 11.376 -2.100 626 HH12 ARG 85 2HH1 ARG 85 -10.856 12.819 -2.464 627 HH21 ARG 85 1HH2 ARG 85 -12.900 12.631 0.362 628 HH22 ARG 85 2HH2 ARG 85 -12.519 13.531 -1.068 629 H LEU 86 H LEU 86 -10.051 7.390 5.694 630 HA LEU 86 HA LEU 86 -12.262 7.589 7.035 631 HB2 LEU 86 2HB LEU 86 -10.445 7.179 8.370 632 HB3 LEU 86 1HB LEU 86 -9.550 8.558 7.764 633 HG LEU 86 HG LEU 86 -11.058 10.046 9.080 634 HD11 LEU 86 1HD1 LEU 86 -12.031 7.454 10.275 635 HD12 LEU 86 2HD1 LEU 86 -12.973 8.529 9.241 636 HD13 LEU 86 3HD1 LEU 86 -12.440 9.077 10.830 637 HD21 LEU 86 3HD2 LEU 86 -10.044 9.519 11.251 638 HD22 LEU 86 1HD2 LEU 86 -8.877 9.428 9.932 639 HD23 LEU 86 2HD2 LEU 86 -9.544 7.948 10.623 640 H VAL 87 H VAL 87 -10.390 10.607 6.648 641 HA VAL 87 HA VAL 87 -12.001 12.425 7.797 642 HB VAL 87 HB VAL 87 -11.378 13.880 5.616 643 HG11 VAL 87 1HG1 VAL 87 -9.513 13.034 7.830 644 HG12 VAL 87 2HG1 VAL 87 -10.666 14.367 7.877 645 HG13 VAL 87 3HG1 VAL 87 -9.281 14.438 6.789 646 HG21 VAL 87 3HG2 VAL 87 -9.463 11.552 5.663 647 HG22 VAL 87 1HG2 VAL 87 -9.173 13.070 4.808 648 HG23 VAL 87 2HG2 VAL 87 -10.521 12.037 4.334 649 H ASP 88 H ASP 88 -12.327 11.712 4.310 650 HA ASP 88 HA ASP 88 -15.024 12.809 4.397 651 HB2 ASP 88 2HB ASP 88 -13.194 12.040 2.128 652 HB3 ASP 88 1HB ASP 88 -14.874 12.513 1.877 653 H ASN 89 H ASN 89 -13.726 9.943 5.037 654 HA ASN 89 HA ASN 89 -14.423 7.785 5.064 655 HB2 ASN 89 2HB ASN 89 -17.163 9.001 4.702 656 HB3 ASN 89 1HB ASN 89 -16.793 7.419 5.386 657 HD21 ASN 89 1HD2 ASN 89 -16.779 10.845 5.910 658 HD22 ASN 89 2HD2 ASN 89 -16.493 10.791 7.614 659 H GLU 90 H GLU 90 -13.724 8.913 2.449 660 HA GLU 90 HA GLU 90 -15.557 7.789 0.536 661 HB2 GLU 90 2HB GLU 90 -12.716 8.731 0.117 662 HB3 GLU 90 1HB GLU 90 -13.906 8.418 -1.138 663 HG2 GLU 90 2HG GLU 90 -14.158 10.518 0.991 664 HG3 GLU 90 1HG GLU 90 -13.609 10.806 -0.658 665 H GLN 91 H GLN 91 -14.815 6.180 -1.089 666 HA GLN 91 HA GLN 91 -12.790 4.309 -0.181 667 HB2 GLN 91 2HB GLN 91 -14.956 3.680 0.953 668 HB3 GLN 91 1HB GLN 91 -15.614 3.351 -0.644 669 HG2 GLN 91 2HG GLN 91 -13.096 2.025 0.266 670 HG3 GLN 91 1HG GLN 91 -14.672 1.406 0.760 671 HE21 GLN 91 1HE2 GLN 91 -16.078 0.588 -0.818 672 HE22 GLN 91 2HE2 GLN 91 -15.503 0.079 -2.366 673 H LEU 92 H LEU 92 -11.629 4.517 -2.012 674 HA LEU 92 HA LEU 92 -12.892 4.355 -4.616 675 HB2 LEU 92 2HB LEU 92 -9.964 4.534 -3.893 676 HB3 LEU 92 1HB LEU 92 -10.633 4.696 -5.502 677 HG LEU 92 HG LEU 92 -10.099 6.881 -4.753 678 HD11 LEU 92 1HD1 LEU 92 -12.291 8.000 -4.666 679 HD12 LEU 92 2HD1 LEU 92 -13.059 6.425 -4.469 680 HD13 LEU 92 3HD1 LEU 92 -12.178 6.796 -5.950 681 HD21 LEU 92 3HD2 LEU 92 -11.801 6.514 -2.307 682 HD22 LEU 92 1HD2 LEU 92 -10.689 7.830 -2.683 683 HD23 LEU 92 2HD2 LEU 92 -10.062 6.223 -2.313 684 H ASN 93 H ASN 93 -13.347 2.415 -5.472 685 HA ASN 93 HA ASN 93 -11.833 0.103 -4.525 686 HB2 ASN 93 2HB ASN 93 -13.683 -1.119 -5.918 687 HB3 ASN 93 1HB ASN 93 -14.071 -0.437 -4.344 688 HD21 ASN 93 1HD2 ASN 93 -16.235 -0.223 -4.832 689 HD22 ASN 93 2HD2 ASN 93 -16.828 0.968 -5.933 690 H LEU 94 H LEU 94 -9.956 0.187 -5.663 691 HA LEU 94 HA LEU 94 -9.894 0.379 -8.533 692 HB2 LEU 94 2HB LEU 94 -8.073 1.051 -6.794 693 HB3 LEU 94 1HB LEU 94 -7.661 -0.651 -6.796 694 HG LEU 94 HG LEU 94 -7.772 0.708 -9.429 695 HD11 LEU 94 1HD1 LEU 94 -5.440 1.501 -9.112 696 HD12 LEU 94 2HD1 LEU 94 -5.595 1.151 -7.391 697 HD13 LEU 94 3HD1 LEU 94 -6.617 2.380 -8.135 698 HD21 LEU 94 3HD2 LEU 94 -5.895 -1.287 -8.168 699 HD22 LEU 94 1HD2 LEU 94 -5.893 -0.781 -9.857 700 HD23 LEU 94 2HD2 LEU 94 -7.265 -1.678 -9.209 701 H GLU 95 H GLU 95 -11.404 -1.335 -8.960 702 HA GLU 95 HA GLU 95 -10.795 -4.028 -8.155 703 HB2 GLU 95 2HB GLU 95 -12.876 -3.082 -10.121 704 HB3 GLU 95 1HB GLU 95 -12.821 -4.637 -9.300 705 HG2 GLU 95 2HG GLU 95 -13.233 -3.603 -7.182 706 HG3 GLU 95 1HG GLU 95 -13.118 -1.995 -7.896 707 H ASP 96 H ASP 96 -11.581 -5.491 -10.313 708 HA ASP 96 HA ASP 96 -9.291 -6.181 -11.602 709 HB2 ASP 96 2HB ASP 96 -11.002 -6.931 -13.490 710 HB3 ASP 96 1HB ASP 96 -10.929 -7.741 -11.927 711 H GLU 97 H GLU 97 -11.771 -4.011 -12.946 712 HA GLU 97 HA GLU 97 -10.706 -3.482 -15.408 713 HB2 GLU 97 2HB GLU 97 -11.964 -1.438 -13.570 714 HB3 GLU 97 1HB GLU 97 -11.827 -1.309 -15.318 715 HG2 GLU 97 2HG GLU 97 -13.415 -3.380 -13.819 716 HG3 GLU 97 1HG GLU 97 -14.069 -1.967 -14.646 717 H ASP 98 H ASP 98 -9.321 -2.747 -12.404 718 HA ASP 98 HA ASP 98 -7.259 -1.112 -13.707 719 HB2 ASP 98 2HB ASP 98 -8.368 -0.769 -10.907 720 HB3 ASP 98 1HB ASP 98 -7.008 0.130 -11.580 721 H ILE 99 H ILE 99 -7.983 -3.891 -11.903 722 HA ILE 99 HA ILE 99 -5.338 -4.129 -10.706 723 HB ILE 99 HB ILE 99 -7.780 -5.897 -10.566 724 HG12 ILE 99 2HG1 ILE 99 -7.772 -3.746 -9.303 725 HG13 ILE 99 1HG1 ILE 99 -7.934 -5.174 -8.291 726 HG21 ILE 99 1HG2 ILE 99 -5.050 -6.320 -9.366 727 HG22 ILE 99 2HG2 ILE 99 -5.924 -7.388 -10.465 728 HG23 ILE 99 3HG2 ILE 99 -6.503 -7.152 -8.815 729 HD11 ILE 99 3HD1 ILE 99 -6.458 -3.610 -7.242 730 HD12 ILE 99 1HD1 ILE 99 -5.460 -3.513 -8.694 731 HD13 ILE 99 2HD1 ILE 99 -5.525 -5.013 -7.766 732 H GLU 100 H GLU 100 -7.300 -5.705 -13.197 733 HA GLU 100 HA GLU 100 -5.729 -7.874 -13.817 734 HB2 GLU 100 2HB GLU 100 -7.950 -7.297 -14.833 735 HB3 GLU 100 1HB GLU 100 -7.121 -6.129 -15.853 736 HG2 GLU 100 2HG GLU 100 -7.516 -8.165 -17.077 737 HG3 GLU 100 1HG GLU 100 -5.785 -7.942 -16.823 738 H SER 101 H SER 101 -5.278 -4.513 -14.754 739 HA SER 101 HA SER 101 -2.616 -5.232 -15.787 740 HB2 SER 101 2HB SER 101 -2.835 -3.420 -17.453 741 HB3 SER 101 1HB SER 101 -4.074 -4.655 -17.672 742 HG SER 101 HG SER 101 -5.128 -2.735 -17.761 743 H ILE 102 H ILE 102 -3.200 -4.506 -13.138 744 HA ILE 102 HA ILE 102 -2.823 -1.757 -12.622 745 HB ILE 102 HB ILE 102 -3.756 -3.288 -10.952 746 HG12 ILE 102 2HG1 ILE 102 -2.297 -2.522 -9.008 747 HG13 ILE 102 1HG1 ILE 102 -1.226 -1.816 -10.211 748 HG21 ILE 102 1HG2 ILE 102 -2.214 -4.764 -9.684 749 HG22 ILE 102 2HG2 ILE 102 -0.959 -4.422 -10.875 750 HG23 ILE 102 3HG2 ILE 102 -2.433 -5.258 -11.362 751 HD11 ILE 102 3HD1 ILE 102 -2.672 -0.119 -9.347 752 HD12 ILE 102 1HD1 ILE 102 -4.096 -1.091 -9.712 753 HD13 ILE 102 2HD1 ILE 102 -3.112 -0.444 -11.023 754 H ASP 103 H ASP 103 -1.032 -0.586 -12.114 755 HA ASP 103 HA ASP 103 1.585 -1.890 -12.228 756 HB2 ASP 103 2HB ASP 103 0.873 0.615 -13.767 757 HB3 ASP 103 1HB ASP 103 2.476 -0.099 -13.648 758 H ALA 104 H ALA 104 3.208 -0.797 -11.009 759 HA ALA 104 HA ALA 104 2.438 0.344 -8.645 760 HB1 ALA 104 1HB ALA 104 4.676 -0.471 -8.990 761 HB2 ALA 104 2HB ALA 104 4.728 1.199 -8.427 762 HB3 ALA 104 3HB ALA 104 5.010 0.835 -10.129 763 H THR 105 H THR 105 3.036 1.929 -11.714 764 HA THR 105 HA THR 105 2.912 4.601 -10.845 765 HB THR 105 HB THR 105 2.086 3.440 -13.514 766 HG1 THR 105 1HG THR 105 4.326 4.621 -13.837 767 HG21 THR 105 3HG2 THR 105 1.128 5.614 -13.291 768 HG22 THR 105 1HG2 THR 105 2.548 5.757 -14.331 769 HG23 THR 105 2HG2 THR 105 2.634 6.272 -12.644 770 H LYS 106 H LYS 106 0.406 2.440 -12.134 771 HA LYS 106 HA LYS 106 -1.739 4.219 -12.029 772 HB2 LYS 106 2HB LYS 106 -1.762 1.210 -11.685 773 HB3 LYS 106 1HB LYS 106 -3.168 2.204 -12.044 774 HG2 LYS 106 2HG LYS 106 -2.246 2.829 -14.176 775 HG3 LYS 106 1HG LYS 106 -0.743 1.977 -13.813 776 HD2 LYS 106 2HD LYS 106 -2.028 0.559 -15.236 777 HD3 LYS 106 1HD LYS 106 -2.106 -0.127 -13.613 778 HE2 LYS 106 2HE LYS 106 -4.297 0.916 -13.283 779 HE3 LYS 106 1HE LYS 106 -4.220 1.591 -14.909 780 HZ1 LYS 106 3HZ LYS 106 -4.154 -0.663 -15.793 781 HZ2 LYS 106 1HZ LYS 106 -5.548 -0.415 -14.865 782 HZ3 LYS 106 2HZ LYS 106 -4.253 -1.300 -14.229 783 H LEU 107 H LEU 107 -0.957 1.650 -9.647 784 HA LEU 107 HA LEU 107 -2.862 2.280 -7.753 785 HB2 LEU 107 2HB LEU 107 -0.694 0.565 -7.879 786 HB3 LEU 107 1HB LEU 107 -0.269 1.634 -6.559 787 HG LEU 107 HG LEU 107 -2.528 -0.323 -6.749 788 HD11 LEU 107 1HD1 LEU 107 -0.594 -1.176 -5.703 789 HD12 LEU 107 2HD1 LEU 107 -1.708 -0.776 -4.397 790 HD13 LEU 107 3HD1 LEU 107 -0.356 0.298 -4.763 791 HD21 LEU 107 3HD2 LEU 107 -3.639 1.743 -6.124 792 HD22 LEU 107 1HD2 LEU 107 -2.435 2.038 -4.869 793 HD23 LEU 107 2HD2 LEU 107 -3.536 0.667 -4.732 794 H SER 108 H SER 108 0.506 3.452 -7.842 795 HA SER 108 HA SER 108 0.313 5.251 -5.715 796 HB2 SER 108 2HB SER 108 2.070 5.392 -8.175 797 HB3 SER 108 1HB SER 108 2.307 6.340 -6.707 798 HG SER 108 HG SER 108 2.306 4.126 -5.671 799 H ARG 109 H ARG 109 -0.703 5.522 -9.028 800 HA ARG 109 HA ARG 109 -1.001 8.347 -9.060 801 HB2 ARG 109 2HB ARG 109 -0.768 6.923 -11.102 802 HB3 ARG 109 1HB ARG 109 -2.369 6.282 -10.794 803 HG2 ARG 109 2HG ARG 109 -1.938 9.224 -11.117 804 HG3 ARG 109 1HG ARG 109 -2.095 8.164 -12.520 805 HD2 ARG 109 2HD ARG 109 -4.239 7.323 -11.465 806 HD3 ARG 109 1HD ARG 109 -4.103 8.677 -10.338 807 HE ARG 109 HE ARG 109 -3.889 9.758 -12.870 808 HH11 ARG 109 1HH1 ARG 109 -6.259 7.951 -11.066 809 HH12 ARG 109 2HH1 ARG 109 -7.610 8.633 -11.908 810 HH21 ARG 109 1HH2 ARG 109 -5.663 10.659 -13.987 811 HH22 ARG 109 2HH2 ARG 109 -7.271 10.169 -13.572 812 H PHE 110 H PHE 110 -3.504 5.820 -9.227 813 HA PHE 110 HA PHE 110 -5.727 7.271 -8.662 814 HB2 PHE 110 2HB PHE 110 -4.958 4.473 -7.874 815 HB3 PHE 110 1HB PHE 110 -6.507 5.148 -7.371 816 HD1 PHE 110 1HD PHE 110 -8.214 5.706 -9.025 817 HD2 PHE 110 2HD PHE 110 -4.541 3.880 -10.156 818 HE1 PHE 110 1HE PHE 110 -9.187 5.108 -11.204 819 HE2 PHE 110 2HE PHE 110 -5.506 3.280 -12.338 820 HZ PHE 110 HZ PHE 110 -7.833 3.893 -12.864 821 H ILE 111 H ILE 111 -3.354 6.069 -6.331 822 HA ILE 111 HA ILE 111 -4.721 6.967 -4.017 823 HB ILE 111 HB ILE 111 -1.774 6.459 -4.477 824 HG12 ILE 111 2HG1 ILE 111 -3.831 4.824 -2.980 825 HG13 ILE 111 1HG1 ILE 111 -3.364 4.527 -4.647 826 HG21 ILE 111 1HG2 ILE 111 -2.053 8.034 -2.649 827 HG22 ILE 111 2HG2 ILE 111 -1.565 6.454 -2.033 828 HG23 ILE 111 3HG2 ILE 111 -3.244 6.972 -1.896 829 HD11 ILE 111 3HD1 ILE 111 -1.592 4.348 -2.229 830 HD12 ILE 111 1HD1 ILE 111 -1.048 4.152 -3.896 831 HD13 ILE 111 2HD1 ILE 111 -2.200 3.010 -3.205 832 H GLU 112 H GLU 112 -1.973 8.341 -5.816 833 HA GLU 112 HA GLU 112 -1.727 10.739 -4.455 834 HB2 GLU 112 2HB GLU 112 -0.191 9.858 -6.243 835 HB3 GLU 112 1HB GLU 112 -1.382 10.369 -7.436 836 HG2 GLU 112 2HG GLU 112 -1.137 12.692 -6.630 837 HG3 GLU 112 1HG GLU 112 0.125 12.147 -5.526 838 H ILE 113 H ILE 113 -4.211 9.631 -6.484 839 HA ILE 113 HA ILE 113 -5.212 12.268 -7.149 840 HB ILE 113 HB ILE 113 -5.738 9.504 -8.043 841 HG12 ILE 113 2HG1 ILE 113 -5.849 10.603 -10.231 842 HG13 ILE 113 1HG1 ILE 113 -5.788 12.179 -9.449 843 HG21 ILE 113 1HG2 ILE 113 -7.908 11.582 -8.184 844 HG22 ILE 113 2HG2 ILE 113 -7.949 10.086 -7.249 845 HG23 ILE 113 3HG2 ILE 113 -7.905 10.022 -9.009 846 HD11 ILE 113 3HD1 ILE 113 -3.634 11.520 -10.400 847 HD12 ILE 113 1HD1 ILE 113 -3.614 10.101 -9.351 848 HD13 ILE 113 2HD1 ILE 113 -3.548 11.718 -8.648 849 H ASN 114 H ASN 114 -6.103 9.519 -5.078 850 HA ASN 114 HA ASN 114 -8.209 11.227 -3.918 851 HB2 ASN 114 2HB ASN 114 -8.150 8.213 -4.110 852 HB3 ASN 114 1HB ASN 114 -9.359 9.140 -3.224 853 HD21 ASN 114 1HD2 ASN 114 -10.712 10.588 -4.435 854 HD22 ASN 114 2HD2 ASN 114 -11.082 10.238 -6.086 855 H SER 115 H SER 115 -5.342 11.008 -3.148 856 HA SER 115 HA SER 115 -5.380 9.664 -0.596 857 HB2 SER 115 2HB SER 115 -3.097 10.553 -0.339 858 HB3 SER 115 1HB SER 115 -3.304 9.775 -1.910 859 HG SER 115 HG SER 115 -2.356 11.668 -2.389 860 H LEU 116 H LEU 116 -7.458 11.362 -0.611 861 HA LEU 116 HA LEU 116 -6.632 13.755 0.864 862 HB2 LEU 116 2HB LEU 116 -9.355 13.050 -0.217 863 HB3 LEU 116 1HB LEU 116 -8.854 14.598 0.441 864 HG LEU 116 HG LEU 116 -7.900 13.345 -2.134 865 HD11 LEU 116 1HD1 LEU 116 -9.012 15.241 -3.186 866 HD12 LEU 116 2HD1 LEU 116 -9.550 15.813 -1.607 867 HD13 LEU 116 3HD1 LEU 116 -10.153 14.283 -2.242 868 HD21 LEU 116 3HD2 LEU 116 -7.093 15.939 -0.821 869 HD22 LEU 116 1HD2 LEU 116 -6.681 15.466 -2.470 870 HD23 LEU 116 2HD2 LEU 116 -6.063 14.535 -1.106 Start of MODEL 6 1 H GLU 1 H GLU 1 1.618 16.257 9.897 2 HA GLU 1 HA GLU 1 0.134 18.252 8.536 3 HB2 GLU 1 2HB GLU 1 0.877 18.991 11.375 4 HB3 GLU 1 1HB GLU 1 0.433 20.158 10.137 5 HG2 GLU 1 2HG GLU 1 -1.487 19.790 11.462 6 HG3 GLU 1 1HG GLU 1 -1.759 18.967 9.927 7 H VAL 2 H VAL 2 1.828 17.972 7.097 8 HA VAL 2 HA VAL 2 4.400 19.142 7.942 9 HB VAL 2 HB VAL 2 5.491 17.714 6.226 10 HG11 VAL 2 1HG1 VAL 2 5.388 15.629 7.521 11 HG12 VAL 2 2HG1 VAL 2 3.964 16.237 8.366 12 HG13 VAL 2 3HG1 VAL 2 5.517 17.048 8.561 13 HG21 VAL 2 3HG2 VAL 2 3.577 17.301 4.788 14 HG22 VAL 2 1HG2 VAL 2 2.782 16.395 6.076 15 HG23 VAL 2 2HG2 VAL 2 4.263 15.774 5.347 16 H GLU 3 H GLU 3 5.497 20.448 6.441 17 HA GLU 3 HA GLU 3 4.018 21.174 4.012 18 HB2 GLU 3 2HB GLU 3 3.464 22.806 5.791 19 HB3 GLU 3 1HB GLU 3 5.175 23.173 5.965 20 HG2 GLU 3 2HG GLU 3 5.249 24.016 3.690 21 HG3 GLU 3 1HG GLU 3 3.552 23.598 3.464 22 H LYS 4 H LYS 4 6.936 22.412 5.644 23 HA LYS 4 HA LYS 4 8.400 22.615 3.231 24 HB2 LYS 4 2HB LYS 4 8.850 23.970 5.263 25 HB3 LYS 4 1HB LYS 4 9.465 22.528 6.058 26 HG2 LYS 4 2HG LYS 4 11.257 22.360 4.441 27 HG3 LYS 4 1HG LYS 4 10.614 23.746 3.556 28 HD2 LYS 4 2HD LYS 4 10.978 25.158 5.539 29 HD3 LYS 4 1HD LYS 4 11.659 23.766 6.388 30 HE2 LYS 4 2HE LYS 4 13.418 25.202 5.492 31 HE3 LYS 4 1HE LYS 4 13.438 23.616 4.724 32 HZ1 LYS 4 3HZ LYS 4 12.240 26.076 3.566 33 HZ2 LYS 4 1HZ LYS 4 12.284 24.555 2.825 34 HZ3 LYS 4 2HZ LYS 4 13.721 25.398 3.112 35 H SER 5 H SER 5 8.627 20.753 2.104 36 HA SER 5 HA SER 5 9.279 18.247 3.311 37 HB2 SER 5 2HB SER 5 9.505 17.445 0.986 38 HB3 SER 5 1HB SER 5 8.016 18.363 1.209 39 HG SER 5 HG SER 5 10.152 18.877 -0.402 40 H SER 6 H SER 6 11.208 17.520 3.903 41 HA SER 6 HA SER 6 13.572 19.079 3.469 42 HB2 SER 6 2HB SER 6 13.250 16.331 4.702 43 HB3 SER 6 1HB SER 6 14.702 17.327 4.784 44 HG SER 6 HG SER 6 13.763 18.611 6.209 45 H ASP 7 H ASP 7 12.500 15.847 2.431 46 HA ASP 7 HA ASP 7 14.126 16.114 0.029 47 HB2 ASP 7 2HB ASP 7 14.417 13.807 1.964 48 HB3 ASP 7 1HB ASP 7 15.077 13.825 0.331 49 H GLY 8 H GLY 8 12.222 13.636 1.770 50 HA2 GLY 8 2HA GLY 8 9.919 13.274 0.853 51 HA3 GLY 8 1HA GLY 8 10.688 13.246 -0.726 52 HA PRO 9 HA PRO 9 11.363 8.900 -0.665 53 HB2 PRO 9 2HB PRO 9 14.307 9.304 -0.796 54 HB3 PRO 9 1HB PRO 9 13.247 8.386 -1.871 55 HG2 PRO 9 2HG PRO 9 14.238 10.739 -2.625 56 HG3 PRO 9 1HG PRO 9 12.579 10.274 -3.041 57 HD2 PRO 9 2HD PRO 9 13.549 12.157 -0.935 58 HD3 PRO 9 1HD PRO 9 12.120 12.274 -1.982 59 H GLY 10 H GLY 10 11.245 7.564 1.021 60 HA2 GLY 10 2HA GLY 10 13.058 6.688 2.757 61 HA3 GLY 10 1HA GLY 10 12.652 8.234 3.485 62 H ALA 11 H ALA 11 11.859 4.972 3.282 63 HA ALA 11 HA ALA 11 9.799 5.197 5.223 64 HB1 ALA 11 1HB ALA 11 8.928 4.390 2.449 65 HB2 ALA 11 2HB ALA 11 8.462 5.865 3.298 66 HB3 ALA 11 3HB ALA 11 7.939 4.294 3.907 67 H ALA 12 H ALA 12 10.080 2.876 2.557 68 HA ALA 12 HA ALA 12 10.547 0.653 2.499 69 HB1 ALA 12 1HB ALA 12 12.481 -0.097 3.662 70 HB2 ALA 12 2HB ALA 12 12.327 1.183 4.866 71 HB3 ALA 12 3HB ALA 12 12.762 1.584 3.205 72 H GLN 13 H GLN 13 8.625 -0.291 3.019 73 HA GLN 13 HA GLN 13 8.467 -1.758 5.431 74 HB2 GLN 13 2HB GLN 13 6.257 -0.653 6.167 75 HB3 GLN 13 1HB GLN 13 7.766 0.147 6.587 76 HG2 GLN 13 2HG GLN 13 7.413 1.503 4.440 77 HG3 GLN 13 1HG GLN 13 5.755 0.901 4.504 78 HE21 GLN 13 1HE2 GLN 13 6.722 3.622 4.733 79 HE22 GLN 13 2HE2 GLN 13 6.188 4.205 6.270 80 H GLU 14 H GLU 14 6.081 -2.677 5.648 81 HA GLU 14 HA GLU 14 5.099 -3.251 2.930 82 HB2 GLU 14 2HB GLU 14 4.815 -5.568 3.486 83 HB3 GLU 14 1HB GLU 14 6.468 -5.115 3.878 84 HG2 GLU 14 2HG GLU 14 5.750 -4.834 6.247 85 HG3 GLU 14 1HG GLU 14 4.183 -5.498 5.789 86 HA PRO 15 HA PRO 15 1.035 -2.339 4.366 87 HB2 PRO 15 2HB PRO 15 -0.491 -4.158 3.044 88 HB3 PRO 15 1HB PRO 15 0.258 -2.765 2.255 89 HG2 PRO 15 2HG PRO 15 1.166 -5.613 2.338 90 HG3 PRO 15 1HG PRO 15 1.154 -4.479 0.974 91 HD2 PRO 15 2HD PRO 15 3.392 -5.040 2.393 92 HD3 PRO 15 1HD PRO 15 3.103 -3.457 1.644 93 H THR 16 H THR 16 -0.549 -2.917 5.836 94 HA THR 16 HA THR 16 0.145 -4.984 7.683 95 HB THR 16 HB THR 16 -2.454 -3.452 7.640 96 HG1 THR 16 1HG THR 16 -0.286 -2.557 9.165 97 HG21 THR 16 3HG2 THR 16 -2.222 -5.363 9.217 98 HG22 THR 16 1HG2 THR 16 -2.429 -3.809 10.023 99 HG23 THR 16 2HG2 THR 16 -0.832 -4.550 9.936 100 H TRP 17 H TRP 17 -1.167 -6.757 8.338 101 HA TRP 17 HA TRP 17 -2.620 -7.965 6.104 102 HB2 TRP 17 2HB TRP 17 -1.497 -9.147 8.648 103 HB3 TRP 17 1HB TRP 17 -2.406 -10.065 7.453 104 HD1 TRP 17 HD TRP 17 -1.216 -9.938 4.852 105 HE1 TRP 17 1HE TRP 17 1.284 -10.206 4.293 106 HE3 TRP 17 3HE TRP 17 0.765 -8.876 9.445 107 HZ2 TRP 17 2HZ TRP 17 3.765 -9.995 5.624 108 HZ3 TRP 17 3HZ TRP 17 3.209 -8.932 9.718 109 HH2 TRP 17 HH TRP 17 4.677 -9.480 7.845 110 H LEU 18 H LEU 18 -4.613 -6.952 6.257 111 HA LEU 18 HA LEU 18 -6.111 -7.004 8.741 112 HB2 LEU 18 2HB LEU 18 -7.043 -6.192 5.990 113 HB3 LEU 18 1HB LEU 18 -7.792 -5.789 7.524 114 HG LEU 18 HG LEU 18 -5.047 -4.858 6.702 115 HD11 LEU 18 1HD1 LEU 18 -7.692 -3.438 6.549 116 HD12 LEU 18 2HD1 LEU 18 -6.655 -3.898 5.200 117 HD13 LEU 18 3HD1 LEU 18 -6.119 -2.670 6.346 118 HD21 LEU 18 3HD2 LEU 18 -5.341 -4.939 9.097 119 HD22 LEU 18 1HD2 LEU 18 -6.867 -4.064 8.968 120 HD23 LEU 18 2HD2 LEU 18 -5.353 -3.262 8.552 121 H THR 19 H THR 19 -5.952 -9.394 8.832 122 HA THR 19 HA THR 19 -7.264 -11.042 6.936 123 HB THR 19 HB THR 19 -7.025 -12.831 8.547 124 HG1 THR 19 1HG THR 19 -5.959 -11.082 10.474 125 HG21 THR 19 3HG2 THR 19 -4.636 -10.986 8.643 126 HG22 THR 19 1HG2 THR 19 -5.014 -12.103 7.331 127 HG23 THR 19 2HG2 THR 19 -4.617 -12.726 8.933 128 H ASP 20 H ASP 20 -8.585 -8.892 9.140 129 HA ASP 20 HA ASP 20 -11.155 -10.286 8.959 130 HB2 ASP 20 2HB ASP 20 -10.054 -9.074 11.499 131 HB3 ASP 20 1HB ASP 20 -11.682 -9.715 11.301 132 H VAL 21 H VAL 21 -12.977 -9.002 8.923 133 HA VAL 21 HA VAL 21 -12.813 -6.548 7.656 134 HB VAL 21 HB VAL 21 -15.118 -7.462 9.380 135 HG11 VAL 21 1HG1 VAL 21 -16.475 -6.115 7.856 136 HG12 VAL 21 2HG1 VAL 21 -15.018 -5.611 7.002 137 HG13 VAL 21 3HG1 VAL 21 -15.266 -5.132 8.681 138 HG21 VAL 21 3HG2 VAL 21 -16.007 -8.528 7.382 139 HG22 VAL 21 1HG2 VAL 21 -14.436 -9.210 7.800 140 HG23 VAL 21 2HG2 VAL 21 -14.572 -8.057 6.474 141 HA PRO 22 HA PRO 22 -13.708 -4.440 12.001 142 HB2 PRO 22 2HB PRO 22 -12.497 -5.805 14.076 143 HB3 PRO 22 1HB PRO 22 -14.222 -5.864 13.706 144 HG2 PRO 22 2HG PRO 22 -12.057 -7.789 12.962 145 HG3 PRO 22 1HG PRO 22 -13.709 -8.120 13.519 146 HD2 PRO 22 2HD PRO 22 -13.061 -8.318 10.939 147 HD3 PRO 22 1HD PRO 22 -14.634 -7.657 11.434 148 H ALA 23 H ALA 23 -10.768 -6.459 11.809 149 HA ALA 23 HA ALA 23 -9.026 -4.500 12.841 150 HB1 ALA 23 1HB ALA 23 -8.347 -6.770 10.971 151 HB2 ALA 23 2HB ALA 23 -8.465 -6.902 12.727 152 HB3 ALA 23 3HB ALA 23 -7.221 -5.884 12.001 153 H ALA 24 H ALA 24 -10.173 -5.235 9.645 154 HA ALA 24 HA ALA 24 -8.390 -3.620 8.174 155 HB1 ALA 24 1HB ALA 24 -11.197 -4.557 7.576 156 HB2 ALA 24 2HB ALA 24 -9.681 -5.256 7.006 157 HB3 ALA 24 3HB ALA 24 -10.198 -3.672 6.424 158 H MET 25 H MET 25 -11.778 -3.012 9.092 159 HA MET 25 HA MET 25 -11.832 -0.308 8.361 160 HB2 MET 25 2HB MET 25 -13.510 -1.650 10.486 161 HB3 MET 25 1HB MET 25 -13.904 -0.175 9.612 162 HG2 MET 25 2HG MET 25 -13.890 -1.542 7.507 163 HG3 MET 25 1HG MET 25 -13.762 -2.972 8.525 164 HE1 MET 25 3HE MET 25 -17.109 -2.827 10.556 165 HE2 MET 25 1HE MET 25 -15.524 -2.208 11.021 166 HE3 MET 25 2HE MET 25 -15.660 -3.773 10.217 167 H GLU 26 H GLU 26 -10.597 -1.892 11.193 168 HA GLU 26 HA GLU 26 -10.639 0.398 12.896 169 HB2 GLU 26 2HB GLU 26 -9.337 -2.286 12.992 170 HB3 GLU 26 1HB GLU 26 -8.732 -1.023 14.056 171 HG2 GLU 26 2HG GLU 26 -11.147 -0.716 14.793 172 HG3 GLU 26 1HG GLU 26 -11.463 -2.250 13.980 173 H PHE 27 H PHE 27 -8.081 -1.180 10.987 174 HA PHE 27 HA PHE 27 -6.079 0.690 11.549 175 HB2 PHE 27 2HB PHE 27 -6.507 -1.406 9.503 176 HB3 PHE 27 1HB PHE 27 -5.368 -0.134 9.071 177 HD1 PHE 27 1HD PHE 27 -6.088 -2.818 11.489 178 HD2 PHE 27 2HD PHE 27 -3.235 0.018 10.101 179 HE1 PHE 27 1HE PHE 27 -4.344 -3.923 12.827 180 HE2 PHE 27 2HE PHE 27 -1.486 -1.082 11.436 181 HZ PHE 27 HZ PHE 27 -2.040 -3.055 12.802 182 H ILE 28 H ILE 28 -8.696 0.661 9.234 183 HA ILE 28 HA ILE 28 -7.832 2.949 7.757 184 HB ILE 28 HB ILE 28 -10.479 1.534 8.004 185 HG12 ILE 28 2HG1 ILE 28 -8.777 1.968 5.551 186 HG13 ILE 28 1HG1 ILE 28 -8.512 0.614 6.650 187 HG21 ILE 28 1HG2 ILE 28 -11.047 3.855 7.724 188 HG22 ILE 28 2HG2 ILE 28 -11.316 3.015 6.200 189 HG23 ILE 28 3HG2 ILE 28 -9.885 4.020 6.409 190 HD11 ILE 28 3HD1 ILE 28 -9.904 0.147 4.607 191 HD12 ILE 28 1HD1 ILE 28 -11.157 1.150 5.336 192 HD13 ILE 28 2HD1 ILE 28 -10.619 -0.321 6.151 193 H ALA 29 H ALA 29 -9.937 2.397 10.521 194 HA ALA 29 HA ALA 29 -10.851 5.096 10.720 195 HB1 ALA 29 1HB ALA 29 -10.927 2.833 12.714 196 HB2 ALA 29 2HB ALA 29 -12.205 3.292 11.588 197 HB3 ALA 29 3HB ALA 29 -11.755 4.379 12.902 198 H ALA 30 H ALA 30 -8.005 3.457 11.657 199 HA ALA 30 HA ALA 30 -7.349 5.435 13.714 200 HB1 ALA 30 1HB ALA 30 -5.835 2.982 12.829 201 HB2 ALA 30 2HB ALA 30 -6.920 3.084 14.216 202 HB3 ALA 30 3HB ALA 30 -5.423 4.018 14.196 203 H THR 31 H THR 31 -7.505 6.091 10.830 204 HA THR 31 HA THR 31 -5.167 7.694 10.659 205 HB THR 31 HB THR 31 -4.146 5.557 10.002 206 HG1 THR 31 1HG THR 31 -3.078 6.460 8.328 207 HG21 THR 31 3HG2 THR 31 -4.948 4.187 8.371 208 HG22 THR 31 1HG2 THR 31 -5.669 5.513 7.459 209 HG23 THR 31 2HG2 THR 31 -6.474 4.893 8.900 210 H GLU 32 H GLU 32 -5.247 9.190 8.936 211 HA GLU 32 HA GLU 32 -7.832 9.933 8.094 212 HB2 GLU 32 2HB GLU 32 -5.688 11.360 8.347 213 HB3 GLU 32 1HB GLU 32 -5.319 10.833 6.709 214 HG2 GLU 32 2HG GLU 32 -7.390 11.807 5.907 215 HG3 GLU 32 1HG GLU 32 -7.815 12.287 7.549 216 H VAL 33 H VAL 33 -5.093 8.908 6.032 217 HA VAL 33 HA VAL 33 -7.064 7.908 4.088 218 HB VAL 33 HB VAL 33 -4.165 8.552 3.563 219 HG11 VAL 33 1HG1 VAL 33 -5.095 6.974 1.982 220 HG12 VAL 33 2HG1 VAL 33 -4.882 8.542 1.202 221 HG13 VAL 33 3HG1 VAL 33 -6.493 8.024 1.714 222 HG21 VAL 33 3HG2 VAL 33 -5.269 10.587 4.199 223 HG22 VAL 33 1HG2 VAL 33 -6.631 10.228 3.135 224 HG23 VAL 33 2HG2 VAL 33 -5.046 10.591 2.450 225 H ALA 34 H ALA 34 -7.001 5.812 3.401 226 HA ALA 34 HA ALA 34 -4.823 4.101 4.350 227 HB1 ALA 34 1HB ALA 34 -6.534 2.393 5.056 228 HB2 ALA 34 2HB ALA 34 -7.743 3.672 4.927 229 HB3 ALA 34 3HB ALA 34 -6.419 3.827 6.081 230 H VAL 35 H VAL 35 -4.113 2.823 2.804 231 HA VAL 35 HA VAL 35 -5.946 2.157 0.599 232 HB VAL 35 HB VAL 35 -2.961 2.579 0.557 233 HG11 VAL 35 1HG1 VAL 35 -3.422 0.577 -0.741 234 HG12 VAL 35 2HG1 VAL 35 -3.062 1.919 -1.827 235 HG13 VAL 35 3HG1 VAL 35 -4.730 1.400 -1.589 236 HG21 VAL 35 3HG2 VAL 35 -4.303 4.574 0.381 237 HG22 VAL 35 1HG2 VAL 35 -5.291 3.834 -0.881 238 HG23 VAL 35 2HG2 VAL 35 -3.592 4.211 -1.194 239 H ILE 36 H ILE 36 -6.336 0.089 0.217 240 HA ILE 36 HA ILE 36 -4.647 -1.912 1.543 241 HB ILE 36 HB ILE 36 -7.660 -1.862 1.674 242 HG12 ILE 36 2HG1 ILE 36 -5.719 -1.525 3.958 243 HG13 ILE 36 1HG1 ILE 36 -6.323 -0.149 3.045 244 HG21 ILE 36 1HG2 ILE 36 -5.603 -3.761 2.799 245 HG22 ILE 36 2HG2 ILE 36 -6.904 -4.124 1.663 246 HG23 ILE 36 3HG2 ILE 36 -7.282 -3.710 3.335 247 HD11 ILE 36 3HD1 ILE 36 -7.618 -0.365 5.013 248 HD12 ILE 36 1HD1 ILE 36 -7.909 -2.077 4.701 249 HD13 ILE 36 2HD1 ILE 36 -8.624 -0.858 3.648 250 H GLY 37 H GLY 37 -4.343 -3.772 0.480 251 HA2 GLY 37 2HA GLY 37 -5.547 -3.974 -2.184 252 HA3 GLY 37 1HA GLY 37 -4.047 -4.731 -1.688 253 H PHE 38 H PHE 38 -7.486 -5.018 -1.844 254 HA PHE 38 HA PHE 38 -7.589 -7.443 -0.258 255 HB2 PHE 38 2HB PHE 38 -9.697 -6.127 -1.993 256 HB3 PHE 38 1HB PHE 38 -9.970 -7.482 -0.903 257 HD1 PHE 38 1HD PHE 38 -8.790 -6.890 1.546 258 HD2 PHE 38 2HD PHE 38 -10.583 -4.168 -1.184 259 HE1 PHE 38 1HE PHE 38 -9.240 -5.337 3.398 260 HE2 PHE 38 2HE PHE 38 -11.037 -2.611 0.665 261 HZ PHE 38 HZ PHE 38 -10.363 -3.191 2.957 262 H PHE 39 H PHE 39 -6.224 -8.867 -1.292 263 HA PHE 39 HA PHE 39 -6.887 -9.569 -4.068 264 HB2 PHE 39 2HB PHE 39 -4.372 -10.245 -2.550 265 HB3 PHE 39 1HB PHE 39 -4.654 -10.435 -4.278 266 HD1 PHE 39 1HD PHE 39 -5.871 -7.884 -5.004 267 HD2 PHE 39 2HD PHE 39 -2.650 -8.718 -2.354 268 HE1 PHE 39 1HE PHE 39 -4.964 -5.638 -5.409 269 HE2 PHE 39 2HE PHE 39 -1.738 -6.468 -2.752 270 HZ PHE 39 HZ PHE 39 -2.895 -4.924 -4.281 271 H GLN 40 H GLN 40 -7.348 -11.616 -4.671 272 HA GLN 40 HA GLN 40 -8.043 -13.494 -2.563 273 HB2 GLN 40 2HB GLN 40 -8.388 -13.685 -5.567 274 HB3 GLN 40 1HB GLN 40 -9.047 -14.813 -4.390 275 HG2 GLN 40 2HG GLN 40 -10.433 -13.044 -3.454 276 HG3 GLN 40 1HG GLN 40 -9.760 -11.897 -4.610 277 HE21 GLN 40 1HE2 GLN 40 -9.702 -13.877 -6.761 278 HE22 GLN 40 2HE2 GLN 40 -11.339 -14.058 -7.284 279 H ASP 41 H ASP 41 -5.404 -12.694 -4.330 280 HA ASP 41 HA ASP 41 -4.000 -15.134 -3.675 281 HB2 ASP 41 2HB ASP 41 -4.952 -15.572 -5.946 282 HB3 ASP 41 1HB ASP 41 -4.091 -14.152 -6.544 283 H LEU 42 H LEU 42 -2.077 -14.514 -2.857 284 HA LEU 42 HA LEU 42 -1.175 -11.797 -3.382 285 HB2 LEU 42 2HB LEU 42 -0.176 -13.849 -1.410 286 HB3 LEU 42 1HB LEU 42 0.437 -12.212 -1.552 287 HG LEU 42 HG LEU 42 -2.374 -12.976 -0.767 288 HD11 LEU 42 1HD1 LEU 42 -0.794 -13.470 0.993 289 HD12 LEU 42 2HD1 LEU 42 -1.733 -12.039 1.421 290 HD13 LEU 42 3HD1 LEU 42 -0.078 -11.867 0.839 291 HD21 LEU 42 3HD2 LEU 42 -2.458 -10.904 -1.947 292 HD22 LEU 42 1HD2 LEU 42 -1.042 -10.293 -1.090 293 HD23 LEU 42 2HD2 LEU 42 -2.558 -10.541 -0.224 294 H GLU 43 H GLU 43 -0.923 -13.303 -5.603 295 HA GLU 43 HA GLU 43 1.991 -13.441 -5.904 296 HB2 GLU 43 2HB GLU 43 0.072 -15.497 -7.020 297 HB3 GLU 43 1HB GLU 43 1.807 -15.453 -7.288 298 HG2 GLU 43 2HG GLU 43 2.249 -15.944 -5.009 299 HG3 GLU 43 1HG GLU 43 0.549 -15.751 -4.579 300 H ILE 44 H ILE 44 -0.552 -11.801 -6.656 301 HA ILE 44 HA ILE 44 -0.238 -11.692 -9.559 302 HB ILE 44 HB ILE 44 -2.089 -9.900 -9.272 303 HG12 ILE 44 2HG1 ILE 44 -2.785 -11.382 -6.791 304 HG13 ILE 44 1HG1 ILE 44 -1.587 -10.104 -6.672 305 HG21 ILE 44 1HG2 ILE 44 -3.777 -11.564 -9.459 306 HG22 ILE 44 2HG2 ILE 44 -2.812 -12.741 -8.568 307 HG23 ILE 44 3HG2 ILE 44 -2.316 -12.234 -10.187 308 HD11 ILE 44 3HD1 ILE 44 -4.438 -9.888 -7.544 309 HD12 ILE 44 1HD1 ILE 44 -3.259 -8.600 -7.784 310 HD13 ILE 44 2HD1 ILE 44 -3.656 -9.136 -6.152 311 HA PRO 45 HA PRO 45 2.331 -8.116 -9.891 312 HB2 PRO 45 2HB PRO 45 0.062 -6.860 -11.378 313 HB3 PRO 45 1HB PRO 45 1.766 -6.974 -11.825 314 HG2 PRO 45 2HG PRO 45 -0.019 -8.570 -12.963 315 HG3 PRO 45 1HG PRO 45 1.574 -9.197 -12.494 316 HD2 PRO 45 2HD PRO 45 -1.079 -9.587 -11.184 317 HD3 PRO 45 1HD PRO 45 0.288 -10.710 -11.323 318 H ALA 46 H ALA 46 -1.004 -7.665 -8.914 319 HA ALA 46 HA ALA 46 -0.849 -4.993 -8.075 320 HB1 ALA 46 1HB ALA 46 -2.924 -6.367 -8.450 321 HB2 ALA 46 2HB ALA 46 -2.926 -5.350 -7.008 322 HB3 ALA 46 3HB ALA 46 -2.632 -7.084 -6.865 323 H VAL 47 H VAL 47 -0.094 -7.999 -6.373 324 HA VAL 47 HA VAL 47 0.050 -6.900 -3.794 325 HB VAL 47 HB VAL 47 1.794 -9.198 -4.617 326 HG11 VAL 47 1HG1 VAL 47 0.258 -8.536 -2.105 327 HG12 VAL 47 2HG1 VAL 47 2.005 -8.434 -2.332 328 HG13 VAL 47 3HG1 VAL 47 1.203 -10.003 -2.363 329 HG21 VAL 47 3HG2 VAL 47 -0.081 -10.704 -4.399 330 HG22 VAL 47 1HG2 VAL 47 -0.426 -9.510 -5.649 331 HG23 VAL 47 2HG2 VAL 47 -1.163 -9.357 -4.056 332 HA PRO 48 HA PRO 48 4.878 -6.438 -4.488 333 HB2 PRO 48 2HB PRO 48 4.958 -6.197 -7.445 334 HB3 PRO 48 1HB PRO 48 6.082 -7.017 -6.353 335 HG2 PRO 48 2HG PRO 48 4.413 -8.410 -7.887 336 HG3 PRO 48 1HG PRO 48 4.770 -8.925 -6.228 337 HD2 PRO 48 2HD PRO 48 2.360 -7.513 -7.298 338 HD3 PRO 48 1HD PRO 48 2.459 -8.821 -6.109 339 H ILE 49 H ILE 49 2.660 -5.073 -6.853 340 HA ILE 49 HA ILE 49 3.856 -2.529 -7.046 341 HB ILE 49 HB ILE 49 1.224 -3.689 -7.797 342 HG12 ILE 49 2HG1 ILE 49 3.009 -2.035 -9.525 343 HG13 ILE 49 1HG1 ILE 49 3.501 -3.668 -9.093 344 HG21 ILE 49 1HG2 ILE 49 0.714 -1.361 -8.795 345 HG22 ILE 49 2HG2 ILE 49 1.778 -0.777 -7.515 346 HG23 ILE 49 3HG2 ILE 49 0.325 -1.687 -7.108 347 HD11 ILE 49 3HD1 ILE 49 2.264 -3.339 -11.287 348 HD12 ILE 49 1HD1 ILE 49 0.822 -3.101 -10.301 349 HD13 ILE 49 2HD1 ILE 49 1.704 -4.628 -10.221 350 H LEU 50 H LEU 50 1.416 -3.864 -4.880 351 HA LEU 50 HA LEU 50 0.755 -1.348 -3.686 352 HB2 LEU 50 2HB LEU 50 -0.857 -3.138 -3.585 353 HB3 LEU 50 1HB LEU 50 0.291 -4.186 -2.786 354 HG LEU 50 HG LEU 50 0.268 -2.588 -0.841 355 HD11 LEU 50 1HD1 LEU 50 -2.130 -1.455 -2.271 356 HD12 LEU 50 2HD1 LEU 50 -0.583 -0.636 -2.055 357 HD13 LEU 50 3HD1 LEU 50 -1.576 -1.027 -0.652 358 HD21 LEU 50 3HD2 LEU 50 -1.113 -4.735 -1.099 359 HD22 LEU 50 1HD2 LEU 50 -2.485 -3.657 -1.383 360 HD23 LEU 50 2HD2 LEU 50 -1.596 -3.578 0.143 361 H HIS 51 H HIS 51 2.726 -4.133 -2.668 362 HA HIS 51 HA HIS 51 3.690 -3.096 -0.279 363 HB2 HIS 51 2HB HIS 51 4.937 -4.971 -2.290 364 HB3 HIS 51 1HB HIS 51 5.755 -4.535 -0.793 365 HD1 HIS 51 1HD HIS 51 2.196 -5.690 -1.547 366 HD2 HIS 51 2HD HIS 51 5.404 -6.542 0.952 367 HE1 HIS 51 1HE HIS 51 1.419 -7.572 -0.069 368 HE2 HIS 51 2HE HIS 51 3.406 -8.129 1.371 369 H SER 52 H SER 52 4.445 -2.310 -3.558 370 HA SER 52 HA SER 52 6.895 -0.910 -2.945 371 HB2 SER 52 2HB SER 52 6.656 -1.960 -5.132 372 HB3 SER 52 1HB SER 52 5.221 -0.992 -5.469 373 HG SER 52 HG SER 52 6.467 0.585 -6.058 374 H MET 53 H MET 53 3.576 -0.007 -3.863 375 HA MET 53 HA MET 53 3.948 2.764 -3.830 376 HB2 MET 53 2HB MET 53 1.649 2.958 -3.987 377 HB3 MET 53 1HB MET 53 1.900 1.329 -4.592 378 HG2 MET 53 2HG MET 53 0.094 1.093 -3.181 379 HG3 MET 53 1HG MET 53 1.448 0.594 -2.174 380 HE1 MET 53 3HE MET 53 -1.190 1.168 -0.773 381 HE2 MET 53 1HE MET 53 -0.759 2.290 0.517 382 HE3 MET 53 2HE MET 53 0.291 0.921 0.151 383 H VAL 54 H VAL 54 3.621 0.438 -1.308 384 HA VAL 54 HA VAL 54 2.773 1.921 0.853 385 HB VAL 54 HB VAL 54 4.791 -0.304 0.707 386 HG11 VAL 54 1HG1 VAL 54 4.512 -0.556 3.136 387 HG12 VAL 54 2HG1 VAL 54 3.583 0.942 3.165 388 HG13 VAL 54 3HG1 VAL 54 5.284 0.971 2.702 389 HG21 VAL 54 3HG2 VAL 54 2.772 -1.413 1.940 390 HG22 VAL 54 1HG2 VAL 54 2.766 -1.243 0.185 391 HG23 VAL 54 2HG2 VAL 54 1.862 -0.106 1.183 392 H GLN 55 H GLN 55 6.095 1.560 -0.360 393 HA GLN 55 HA GLN 55 7.164 3.378 1.579 394 HB2 GLN 55 2HB GLN 55 8.518 2.527 -0.958 395 HB3 GLN 55 1HB GLN 55 9.244 2.996 0.575 396 HG2 GLN 55 2HG GLN 55 8.359 0.954 1.603 397 HG3 GLN 55 1HG GLN 55 7.683 0.478 0.043 398 HE21 GLN 55 1HE2 GLN 55 10.755 2.098 0.343 399 HE22 GLN 55 2HE2 GLN 55 11.735 0.748 -0.110 400 H LYS 56 H LYS 56 5.475 3.741 -1.294 401 HA LYS 56 HA LYS 56 6.718 6.277 -2.019 402 HB2 LYS 56 2HB LYS 56 4.402 4.798 -3.279 403 HB3 LYS 56 1HB LYS 56 5.174 6.237 -3.928 404 HG2 LYS 56 2HG LYS 56 7.240 5.027 -4.256 405 HG3 LYS 56 1HG LYS 56 6.542 3.587 -3.510 406 HD2 LYS 56 2HD LYS 56 6.420 3.257 -5.855 407 HD3 LYS 56 1HD LYS 56 4.784 3.652 -5.321 408 HE2 LYS 56 2HE LYS 56 5.101 4.934 -7.259 409 HE3 LYS 56 1HE LYS 56 5.353 6.062 -5.926 410 HZ1 LYS 56 3HZ LYS 56 7.047 6.328 -7.612 411 HZ2 LYS 56 1HZ LYS 56 7.493 4.702 -7.472 412 HZ3 LYS 56 2HZ LYS 56 7.743 5.762 -6.178 413 H PHE 57 H PHE 57 4.134 5.037 -0.187 414 HA PHE 57 HA PHE 57 3.109 7.752 0.238 415 HB2 PHE 57 2HB PHE 57 1.537 5.295 -0.464 416 HB3 PHE 57 1HB PHE 57 0.798 6.612 0.444 417 HD1 PHE 57 2HD PHE 57 0.437 8.783 -0.584 418 HD2 PHE 57 1HD PHE 57 2.106 5.548 -2.787 419 HE1 PHE 57 2HE PHE 57 -0.010 9.988 -2.682 420 HE2 PHE 57 1HE PHE 57 1.662 6.747 -4.890 421 HZ PHE 57 HZ PHE 57 0.602 8.968 -4.838 422 HA PRO 58 HA PRO 58 4.289 5.355 4.180 423 HB2 PRO 58 2HB PRO 58 5.316 7.712 5.276 424 HB3 PRO 58 1HB PRO 58 6.268 6.420 4.537 425 HG2 PRO 58 2HG PRO 58 5.303 8.986 3.345 426 HG3 PRO 58 1HG PRO 58 6.863 8.166 3.133 427 HD2 PRO 58 2HD PRO 58 5.010 8.031 1.233 428 HD3 PRO 58 1HD PRO 58 5.964 6.593 1.651 429 H GLY 59 H GLY 59 3.061 8.663 3.709 430 HA2 GLY 59 2HA GLY 59 1.710 8.939 6.138 431 HA3 GLY 59 1HA GLY 59 1.277 9.765 4.645 432 H VAL 60 H VAL 60 0.676 7.512 3.092 433 HA VAL 60 HA VAL 60 -2.013 7.033 3.831 434 HB VAL 60 HB VAL 60 -0.201 5.932 1.698 435 HG11 VAL 60 1HG1 VAL 60 -3.057 5.073 2.178 436 HG12 VAL 60 2HG1 VAL 60 -1.627 4.060 2.382 437 HG13 VAL 60 3HG1 VAL 60 -2.069 4.651 0.781 438 HG21 VAL 60 3HG2 VAL 60 -1.879 7.023 0.233 439 HG22 VAL 60 1HG2 VAL 60 -1.071 8.143 1.331 440 HG23 VAL 60 2HG2 VAL 60 -2.714 7.600 1.677 441 H SER 61 H SER 61 -3.001 5.154 4.618 442 HA SER 61 HA SER 61 -1.287 3.526 6.285 443 HB2 SER 61 2HB SER 61 -3.468 4.377 7.108 444 HB3 SER 61 1HB SER 61 -4.281 3.367 5.916 445 HG SER 61 HG SER 61 -3.964 2.526 8.164 446 H PHE 62 H PHE 62 -0.135 2.144 5.077 447 HA PHE 62 HA PHE 62 -1.089 0.728 2.836 448 HB2 PHE 62 2HB PHE 62 0.949 -0.793 3.432 449 HB3 PHE 62 1HB PHE 62 1.228 0.871 2.918 450 HD1 PHE 62 1HD PHE 62 1.176 -1.395 5.823 451 HD2 PHE 62 2HD PHE 62 2.150 2.493 4.395 452 HE1 PHE 62 1HE PHE 62 2.416 -0.948 7.898 453 HE2 PHE 62 2HE PHE 62 3.393 2.946 6.470 454 HZ PHE 62 HZ PHE 62 3.526 1.225 8.225 455 H GLY 63 H GLY 63 -2.351 -0.991 2.695 456 HA2 GLY 63 2HA GLY 63 -2.438 -2.906 4.913 457 HA3 GLY 63 1HA GLY 63 -3.946 -2.159 4.402 458 H ILE 64 H ILE 64 -3.560 -4.902 4.356 459 HA ILE 64 HA ILE 64 -4.207 -5.458 1.630 460 HB ILE 64 HB ILE 64 -1.581 -5.487 1.914 461 HG12 ILE 64 2HG1 ILE 64 -3.101 -7.646 0.450 462 HG13 ILE 64 1HG1 ILE 64 -2.811 -6.015 -0.139 463 HG21 ILE 64 1HG2 ILE 64 -0.712 -7.729 2.373 464 HG22 ILE 64 2HG2 ILE 64 -2.331 -8.260 2.817 465 HG23 ILE 64 3HG2 ILE 64 -1.512 -7.037 3.784 466 HD11 ILE 64 3HD1 ILE 64 -0.379 -6.483 -0.076 467 HD12 ILE 64 1HD1 ILE 64 -1.275 -7.505 -1.200 468 HD13 ILE 64 2HD1 ILE 64 -0.755 -8.152 0.354 469 H SER 65 H SER 65 -5.348 -7.368 1.426 470 HA SER 65 HA SER 65 -5.444 -9.197 3.685 471 HB2 SER 65 2HB SER 65 -7.090 -7.527 4.347 472 HB3 SER 65 1HB SER 65 -7.881 -7.653 2.776 473 HG SER 65 HG SER 65 -8.840 -9.427 3.396 474 H THR 66 H THR 66 -6.579 -11.150 3.262 475 HA THR 66 HA THR 66 -7.244 -11.663 0.453 476 HB THR 66 HB THR 66 -6.069 -13.821 0.520 477 HG1 THR 66 1HG THR 66 -4.897 -14.426 2.267 478 HG21 THR 66 3HG2 THR 66 -4.215 -11.555 1.229 479 HG22 THR 66 1HG2 THR 66 -4.963 -11.776 -0.354 480 HG23 THR 66 2HG2 THR 66 -3.835 -12.983 0.266 481 H ASP 67 H ASP 67 -8.170 -11.706 3.582 482 HA ASP 67 HA ASP 67 -9.470 -14.210 3.838 483 HB2 ASP 67 2HB ASP 67 -8.886 -12.682 5.735 484 HB3 ASP 67 1HB ASP 67 -10.184 -11.614 5.213 485 H SER 68 H SER 68 -11.523 -14.839 3.386 486 HA SER 68 HA SER 68 -12.853 -13.640 1.226 487 HB2 SER 68 2HB SER 68 -14.650 -15.275 1.682 488 HB3 SER 68 1HB SER 68 -13.055 -16.025 1.709 489 HG SER 68 HG SER 68 -13.367 -15.367 4.140 490 H GLU 69 H GLU 69 -13.677 -13.692 4.692 491 HA GLU 69 HA GLU 69 -16.084 -12.367 4.637 492 HB2 GLU 69 2HB GLU 69 -13.926 -11.969 6.707 493 HB3 GLU 69 1HB GLU 69 -15.645 -11.661 6.912 494 HG2 GLU 69 2HG GLU 69 -16.115 -14.035 6.631 495 HG3 GLU 69 1HG GLU 69 -14.396 -14.352 6.402 496 H VAL 70 H VAL 70 -12.853 -10.889 4.762 497 HA VAL 70 HA VAL 70 -13.838 -8.230 4.772 498 HB VAL 70 HB VAL 70 -11.118 -9.310 4.024 499 HG11 VAL 70 1HG1 VAL 70 -11.388 -7.195 2.920 500 HG12 VAL 70 2HG1 VAL 70 -10.338 -6.971 4.321 501 HG13 VAL 70 3HG1 VAL 70 -12.025 -6.460 4.394 502 HG21 VAL 70 3HG2 VAL 70 -11.662 -9.684 6.345 503 HG22 VAL 70 1HG2 VAL 70 -12.165 -8.005 6.530 504 HG23 VAL 70 2HG2 VAL 70 -10.471 -8.387 6.229 505 H LEU 71 H LEU 71 -12.342 -10.181 2.185 506 HA LEU 71 HA LEU 71 -12.683 -8.327 0.126 507 HB2 LEU 71 2HB LEU 71 -12.339 -11.291 0.226 508 HB3 LEU 71 1HB LEU 71 -12.783 -10.545 -1.297 509 HG LEU 71 HG LEU 71 -10.772 -9.285 -1.384 510 HD11 LEU 71 1HD1 LEU 71 -10.276 -10.200 1.441 511 HD12 LEU 71 2HD1 LEU 71 -10.602 -8.554 0.893 512 HD13 LEU 71 3HD1 LEU 71 -9.098 -9.355 0.435 513 HD21 LEU 71 3HD2 LEU 71 -10.493 -11.573 -2.081 514 HD22 LEU 71 1HD2 LEU 71 -10.197 -12.081 -0.417 515 HD23 LEU 71 2HD2 LEU 71 -9.036 -11.039 -1.241 516 H THR 72 H THR 72 -14.974 -10.121 1.847 517 HA THR 72 HA THR 72 -17.000 -10.039 -0.242 518 HB THR 72 HB THR 72 -17.121 -10.993 2.629 519 HG1 THR 72 1HG THR 72 -17.250 -13.050 1.592 520 HG21 THR 72 3HG2 THR 72 -19.312 -10.232 2.062 521 HG22 THR 72 1HG2 THR 72 -19.322 -11.989 1.896 522 HG23 THR 72 2HG2 THR 72 -19.223 -10.965 0.461 523 H HIS 73 H HIS 73 -16.271 -8.557 2.878 524 HA HIS 73 HA HIS 73 -18.604 -7.029 3.147 525 HB2 HIS 73 2HB HIS 73 -16.997 -7.402 4.982 526 HB3 HIS 73 1HB HIS 73 -15.814 -6.399 4.146 527 HD1 HIS 73 1HD HIS 73 -18.875 -6.216 6.248 528 HD2 HIS 73 2HD HIS 73 -16.351 -3.621 4.208 529 HE1 HIS 73 1HE HIS 73 -19.453 -3.915 7.087 530 HE2 HIS 73 2HE HIS 73 -17.880 -2.366 5.874 531 H TYR 74 H TYR 74 -15.564 -6.409 1.474 532 HA TYR 74 HA TYR 74 -16.504 -3.772 0.642 533 HB2 TYR 74 2HB TYR 74 -13.876 -5.211 0.288 534 HB3 TYR 74 1HB TYR 74 -14.228 -3.667 -0.480 535 HD1 TYR 74 1HD TYR 74 -13.943 -5.344 2.820 536 HD2 TYR 74 2HD TYR 74 -13.956 -1.653 0.703 537 HE1 TYR 74 1HE TYR 74 -13.207 -4.180 4.857 538 HE2 TYR 74 2HE TYR 74 -13.220 -0.479 2.733 539 HH TYR 74 HH TYR 74 -13.285 -0.810 5.179 540 H ASN 75 H ASN 75 -17.319 -6.660 -0.300 541 HA ASN 75 HA ASN 75 -18.107 -7.621 -2.202 542 HB2 ASN 75 2HB ASN 75 -18.144 -4.729 -3.072 543 HB3 ASN 75 1HB ASN 75 -18.893 -6.043 -3.978 544 HD21 ASN 75 1HD2 ASN 75 -20.089 -3.682 -2.752 545 HD22 ASN 75 2HD2 ASN 75 -21.287 -4.270 -1.654 546 H ILE 76 H ILE 76 -15.180 -7.187 -1.874 547 HA ILE 76 HA ILE 76 -13.939 -6.584 -4.316 548 HB ILE 76 HB ILE 76 -12.955 -8.532 -2.229 549 HG12 ILE 76 2HG1 ILE 76 -13.564 -6.427 -1.178 550 HG13 ILE 76 1HG1 ILE 76 -11.818 -6.587 -1.226 551 HG21 ILE 76 1HG2 ILE 76 -11.605 -8.727 -4.152 552 HG22 ILE 76 2HG2 ILE 76 -10.714 -7.686 -3.041 553 HG23 ILE 76 3HG2 ILE 76 -11.583 -6.984 -4.405 554 HD11 ILE 76 3HD1 ILE 76 -12.613 -4.315 -1.752 555 HD12 ILE 76 1HD1 ILE 76 -13.433 -4.962 -3.174 556 HD13 ILE 76 2HD1 ILE 76 -11.674 -5.040 -3.054 557 H THR 77 H THR 77 -13.908 -7.625 -6.193 558 HA THR 77 HA THR 77 -14.102 -10.540 -6.254 559 HB THR 77 HB THR 77 -15.737 -10.429 -8.145 560 HG1 THR 77 1HG THR 77 -15.473 -8.225 -8.693 561 HG21 THR 77 3HG2 THR 77 -16.498 -11.026 -5.919 562 HG22 THR 77 1HG2 THR 77 -17.713 -10.040 -6.731 563 HG23 THR 77 2HG2 THR 77 -16.676 -9.322 -5.499 564 H GLY 78 H GLY 78 -11.750 -9.598 -6.646 565 HA2 GLY 78 2HA GLY 78 -10.732 -10.423 -8.965 566 HA3 GLY 78 1HA GLY 78 -11.321 -8.833 -9.424 567 H ASN 79 H ASN 79 -9.781 -9.902 -6.404 568 HA ASN 79 HA ASN 79 -8.006 -9.056 -5.252 569 HB2 ASN 79 2HB ASN 79 -6.864 -8.804 -8.040 570 HB3 ASN 79 1HB ASN 79 -5.937 -8.830 -6.544 571 HD21 ASN 79 1HD2 ASN 79 -7.868 -10.702 -8.755 572 HD22 ASN 79 2HD2 ASN 79 -7.371 -12.256 -8.186 573 H THR 80 H THR 80 -9.971 -7.218 -5.627 574 HA THR 80 HA THR 80 -9.142 -4.775 -6.797 575 HB THR 80 HB THR 80 -11.251 -5.332 -4.698 576 HG1 THR 80 1HG THR 80 -11.144 -5.981 -7.253 577 HG21 THR 80 3HG2 THR 80 -12.254 -3.213 -5.343 578 HG22 THR 80 1HG2 THR 80 -10.940 -2.917 -6.481 579 HG23 THR 80 2HG2 THR 80 -10.613 -2.955 -4.751 580 H ILE 81 H ILE 81 -8.533 -2.840 -5.819 581 HA ILE 81 HA ILE 81 -7.369 -3.037 -3.115 582 HB ILE 81 HB ILE 81 -6.434 -1.420 -5.493 583 HG12 ILE 81 2HG1 ILE 81 -5.098 -3.591 -3.867 584 HG13 ILE 81 1HG1 ILE 81 -5.738 -3.772 -5.495 585 HG21 ILE 81 1HG2 ILE 81 -6.279 -0.051 -3.494 586 HG22 ILE 81 2HG2 ILE 81 -4.671 -0.548 -4.021 587 HG23 ILE 81 3HG2 ILE 81 -5.436 -1.351 -2.648 588 HD11 ILE 81 3HD1 ILE 81 -3.356 -3.550 -5.586 589 HD12 ILE 81 1HD1 ILE 81 -3.420 -2.058 -4.648 590 HD13 ILE 81 2HD1 ILE 81 -4.098 -2.106 -6.277 591 H CYS 82 H CYS 82 -8.513 -1.873 -1.683 592 HA CYS 82 HA CYS 82 -10.114 0.352 -2.719 593 HB2 CYS 82 2HB CYS 82 -10.401 -1.234 -0.179 594 HB3 CYS 82 1HB CYS 82 -11.424 0.126 -0.628 595 HG CYS 82 HG CYS 82 -11.444 -1.942 -3.138 596 H LEU 83 H LEU 83 -9.833 2.373 -2.127 597 HA LEU 83 HA LEU 83 -7.845 2.966 -0.046 598 HB2 LEU 83 2HB LEU 83 -7.041 3.948 -1.974 599 HB3 LEU 83 1HB LEU 83 -8.639 4.307 -2.590 600 HG LEU 83 HG LEU 83 -8.865 6.190 -1.104 601 HD11 LEU 83 1HD1 LEU 83 -7.328 6.836 0.541 602 HD12 LEU 83 2HD1 LEU 83 -6.103 5.704 -0.039 603 HD13 LEU 83 3HD1 LEU 83 -7.547 5.102 0.778 604 HD21 LEU 83 3HD2 LEU 83 -6.919 7.570 -1.875 605 HD22 LEU 83 1HD2 LEU 83 -7.786 6.712 -3.151 606 HD23 LEU 83 2HD2 LEU 83 -6.241 6.098 -2.566 607 H PHE 84 H PHE 84 -9.007 3.163 1.812 608 HA PHE 84 HA PHE 84 -11.492 4.698 1.783 609 HB2 PHE 84 2HB PHE 84 -10.985 2.414 3.045 610 HB3 PHE 84 1HB PHE 84 -10.389 3.511 4.286 611 HD1 PHE 84 1HD PHE 84 -12.019 5.457 4.928 612 HD2 PHE 84 2HD PHE 84 -13.208 1.836 3.034 613 HE1 PHE 84 1HE PHE 84 -14.318 5.796 5.734 614 HE2 PHE 84 2HE PHE 84 -15.512 2.169 3.835 615 HZ PHE 84 HZ PHE 84 -16.067 4.151 5.186 616 H ARG 85 H ARG 85 -11.492 6.801 2.263 617 HA ARG 85 HA ARG 85 -9.165 7.903 3.688 618 HB2 ARG 85 2HB ARG 85 -11.068 9.776 2.430 619 HB3 ARG 85 1HB ARG 85 -9.309 9.780 2.437 620 HG2 ARG 85 2HG ARG 85 -9.284 8.051 0.720 621 HG3 ARG 85 1HG ARG 85 -11.057 8.043 0.709 622 HD2 ARG 85 2HD ARG 85 -9.206 10.267 -0.130 623 HD3 ARG 85 1HD ARG 85 -10.364 9.383 -1.125 624 HE ARG 85 HE ARG 85 -11.638 10.742 1.031 625 HH11 ARG 85 1HH1 ARG 85 -10.274 11.185 -2.147 626 HH12 ARG 85 2HH1 ARG 85 -11.230 12.586 -2.501 627 HH21 ARG 85 1HH2 ARG 85 -12.898 12.589 0.570 628 HH22 ARG 85 2HH2 ARG 85 -12.719 13.383 -0.960 629 H LEU 86 H LEU 86 -9.919 7.318 5.741 630 HA LEU 86 HA LEU 86 -12.127 7.444 7.119 631 HB2 LEU 86 2HB LEU 86 -10.313 7.073 8.449 632 HB3 LEU 86 1HB LEU 86 -9.411 8.420 7.790 633 HG LEU 86 HG LEU 86 -10.936 9.953 9.090 634 HD11 LEU 86 1HD1 LEU 86 -11.746 7.362 10.403 635 HD12 LEU 86 2HD1 LEU 86 -12.785 8.411 9.438 636 HD13 LEU 86 3HD1 LEU 86 -12.147 8.978 10.981 637 HD21 LEU 86 3HD2 LEU 86 -9.798 9.498 11.247 638 HD22 LEU 86 1HD2 LEU 86 -8.709 9.523 9.860 639 HD23 LEU 86 2HD2 LEU 86 -9.201 7.983 10.568 640 H VAL 87 H VAL 87 -10.327 10.502 6.689 641 HA VAL 87 HA VAL 87 -11.902 12.304 7.885 642 HB VAL 87 HB VAL 87 -11.472 13.701 5.593 643 HG11 VAL 87 1HG1 VAL 87 -9.391 14.453 6.659 644 HG12 VAL 87 2HG1 VAL 87 -9.474 13.082 7.765 645 HG13 VAL 87 3HG1 VAL 87 -10.719 14.330 7.812 646 HG21 VAL 87 3HG2 VAL 87 -9.419 11.496 5.696 647 HG22 VAL 87 1HG2 VAL 87 -9.267 12.969 4.737 648 HG23 VAL 87 2HG2 VAL 87 -10.562 11.823 4.390 649 H ASP 88 H ASP 88 -12.388 11.840 4.393 650 HA ASP 88 HA ASP 88 -15.125 12.721 4.673 651 HB2 ASP 88 2HB ASP 88 -13.358 12.083 2.323 652 HB3 ASP 88 1HB ASP 88 -15.088 12.367 2.121 653 H ASN 89 H ASN 89 -13.687 9.920 5.244 654 HA ASN 89 HA ASN 89 -14.262 7.731 5.302 655 HB2 ASN 89 2HB ASN 89 -16.104 8.794 6.607 656 HB3 ASN 89 1HB ASN 89 -17.088 8.777 5.151 657 HD21 ASN 89 1HD2 ASN 89 -18.041 6.899 4.503 658 HD22 ASN 89 2HD2 ASN 89 -17.982 5.432 5.416 659 H GLU 90 H GLU 90 -13.783 8.871 2.677 660 HA GLU 90 HA GLU 90 -15.670 7.745 0.841 661 HB2 GLU 90 2HB GLU 90 -12.826 8.634 0.339 662 HB3 GLU 90 1HB GLU 90 -14.050 8.337 -0.887 663 HG2 GLU 90 2HG GLU 90 -14.195 10.455 1.234 664 HG3 GLU 90 1HG GLU 90 -13.706 10.716 -0.437 665 H GLN 91 H GLN 91 -15.158 6.047 -0.707 666 HA GLN 91 HA GLN 91 -13.107 4.156 0.163 667 HB2 GLN 91 2HB GLN 91 -15.213 3.477 1.262 668 HB3 GLN 91 1HB GLN 91 -15.985 3.366 -0.314 669 HG2 GLN 91 2HG GLN 91 -13.501 1.809 0.085 670 HG3 GLN 91 1HG GLN 91 -14.947 1.263 0.937 671 HE21 GLN 91 1HE2 GLN 91 -16.750 2.214 -1.136 672 HE22 GLN 91 2HE2 GLN 91 -16.596 1.113 -2.457 673 H LEU 92 H LEU 92 -11.937 4.628 -1.681 674 HA LEU 92 HA LEU 92 -13.111 4.449 -4.296 675 HB2 LEU 92 2HB LEU 92 -10.216 4.561 -3.432 676 HB3 LEU 92 1HB LEU 92 -10.761 4.639 -5.094 677 HG LEU 92 HG LEU 92 -10.251 6.856 -4.444 678 HD11 LEU 92 1HD1 LEU 92 -12.404 8.012 -4.589 679 HD12 LEU 92 2HD1 LEU 92 -13.237 6.489 -4.274 680 HD13 LEU 92 3HD1 LEU 92 -12.284 6.685 -5.747 681 HD21 LEU 92 3HD2 LEU 92 -10.317 6.397 -1.992 682 HD22 LEU 92 1HD2 LEU 92 -12.069 6.580 -2.063 683 HD23 LEU 92 2HD2 LEU 92 -11.023 7.939 -2.472 684 H ASN 93 H ASN 93 -12.902 2.751 -5.774 685 HA ASN 93 HA ASN 93 -11.784 0.268 -4.649 686 HB2 ASN 93 2HB ASN 93 -13.632 -0.818 -6.174 687 HB3 ASN 93 1HB ASN 93 -14.026 -0.251 -4.558 688 HD21 ASN 93 1HD2 ASN 93 -16.174 0.083 -5.029 689 HD22 ASN 93 2HD2 ASN 93 -16.721 1.360 -6.056 690 H LEU 94 H LEU 94 -10.014 -0.149 -5.726 691 HA LEU 94 HA LEU 94 -9.871 0.287 -8.617 692 HB2 LEU 94 2HB LEU 94 -8.053 0.969 -6.870 693 HB3 LEU 94 1HB LEU 94 -7.639 -0.733 -6.873 694 HG LEU 94 HG LEU 94 -7.755 0.631 -9.504 695 HD11 LEU 94 1HD1 LEU 94 -5.521 1.029 -7.515 696 HD12 LEU 94 2HD1 LEU 94 -6.593 2.281 -8.146 697 HD13 LEU 94 3HD1 LEU 94 -5.462 1.462 -9.224 698 HD21 LEU 94 3HD2 LEU 94 -5.948 -1.418 -8.230 699 HD22 LEU 94 1HD2 LEU 94 -5.826 -0.850 -9.896 700 HD23 LEU 94 2HD2 LEU 94 -7.259 -1.729 -9.368 701 H GLU 95 H GLU 95 -11.397 -1.422 -9.008 702 HA GLU 95 HA GLU 95 -10.821 -4.104 -8.158 703 HB2 GLU 95 2HB GLU 95 -12.861 -3.189 -10.177 704 HB3 GLU 95 1HB GLU 95 -12.833 -4.718 -9.310 705 HG2 GLU 95 2HG GLU 95 -13.292 -3.637 -7.240 706 HG3 GLU 95 1HG GLU 95 -13.108 -2.042 -7.970 707 H ASP 96 H ASP 96 -11.594 -5.599 -10.313 708 HA ASP 96 HA ASP 96 -9.225 -6.218 -11.566 709 HB2 ASP 96 2HB ASP 96 -11.096 -7.758 -11.499 710 HB3 ASP 96 1HB ASP 96 -12.040 -6.704 -12.548 711 H GLU 97 H GLU 97 -11.718 -3.967 -12.652 712 HA GLU 97 HA GLU 97 -10.868 -3.575 -15.275 713 HB2 GLU 97 2HB GLU 97 -12.055 -1.555 -13.362 714 HB3 GLU 97 1HB GLU 97 -11.937 -1.347 -15.104 715 HG2 GLU 97 2HG GLU 97 -13.387 -3.293 -15.428 716 HG3 GLU 97 1HG GLU 97 -13.516 -3.477 -13.680 717 H ASP 98 H ASP 98 -9.303 -2.869 -12.382 718 HA ASP 98 HA ASP 98 -7.286 -1.267 -13.790 719 HB2 ASP 98 2HB ASP 98 -8.375 -0.809 -11.000 720 HB3 ASP 98 1HB ASP 98 -6.940 -0.012 -11.647 721 H ILE 99 H ILE 99 -7.984 -3.972 -11.855 722 HA ILE 99 HA ILE 99 -5.316 -4.206 -10.723 723 HB ILE 99 HB ILE 99 -7.756 -5.977 -10.525 724 HG12 ILE 99 2HG1 ILE 99 -7.739 -3.792 -9.308 725 HG13 ILE 99 1HG1 ILE 99 -7.915 -5.200 -8.274 726 HG21 ILE 99 1HG2 ILE 99 -6.469 -7.190 -8.758 727 HG22 ILE 99 2HG2 ILE 99 -5.019 -6.359 -9.324 728 HG23 ILE 99 3HG2 ILE 99 -5.888 -7.453 -10.402 729 HD11 ILE 99 3HD1 ILE 99 -6.434 -3.626 -7.246 730 HD12 ILE 99 1HD1 ILE 99 -5.428 -3.564 -8.693 731 HD13 ILE 99 2HD1 ILE 99 -5.509 -5.045 -7.738 732 H GLU 100 H GLU 100 -7.204 -5.482 -13.362 733 HA GLU 100 HA GLU 100 -5.783 -7.791 -13.978 734 HB2 GLU 100 2HB GLU 100 -7.927 -7.001 -15.040 735 HB3 GLU 100 1HB GLU 100 -6.970 -5.875 -15.992 736 HG2 GLU 100 2HG GLU 100 -6.425 -8.821 -16.034 737 HG3 GLU 100 1HG GLU 100 -7.653 -8.089 -17.064 738 H SER 101 H SER 101 -5.230 -4.459 -15.073 739 HA SER 101 HA SER 101 -2.513 -5.264 -15.885 740 HB2 SER 101 2HB SER 101 -3.924 -4.595 -17.803 741 HB3 SER 101 1HB SER 101 -4.205 -3.031 -17.039 742 HG SER 101 HG SER 101 -2.077 -3.891 -18.487 743 H ILE 102 H ILE 102 -3.252 -4.494 -13.243 744 HA ILE 102 HA ILE 102 -2.792 -1.786 -12.679 745 HB ILE 102 HB ILE 102 -3.770 -3.314 -11.037 746 HG12 ILE 102 2HG1 ILE 102 -2.294 -2.614 -9.069 747 HG13 ILE 102 1HG1 ILE 102 -1.221 -1.898 -10.264 748 HG21 ILE 102 1HG2 ILE 102 -2.280 -4.843 -9.771 749 HG22 ILE 102 2HG2 ILE 102 -1.000 -4.513 -10.939 750 HG23 ILE 102 3HG2 ILE 102 -2.487 -5.310 -11.457 751 HD11 ILE 102 3HD1 ILE 102 -2.561 -0.146 -9.493 752 HD12 ILE 102 1HD1 ILE 102 -4.029 -1.117 -9.583 753 HD13 ILE 102 2HD1 ILE 102 -3.233 -0.583 -11.063 754 H ASP 103 H ASP 103 -1.002 -0.638 -12.146 755 HA ASP 103 HA ASP 103 1.604 -1.963 -12.244 756 HB2 ASP 103 2HB ASP 103 0.924 0.547 -13.787 757 HB3 ASP 103 1HB ASP 103 2.523 -0.180 -13.659 758 H ALA 104 H ALA 104 3.240 -0.877 -11.034 759 HA ALA 104 HA ALA 104 2.481 0.250 -8.659 760 HB1 ALA 104 1HB ALA 104 5.050 0.715 -10.153 761 HB2 ALA 104 2HB ALA 104 4.706 -0.575 -8.998 762 HB3 ALA 104 3HB ALA 104 4.782 1.100 -8.452 763 H THR 105 H THR 105 3.104 1.861 -11.710 764 HA THR 105 HA THR 105 2.987 4.524 -10.809 765 HB THR 105 HB THR 105 2.207 3.390 -13.502 766 HG1 THR 105 1HG THR 105 4.638 4.429 -12.451 767 HG21 THR 105 3HG2 THR 105 1.223 5.548 -13.280 768 HG22 THR 105 1HG2 THR 105 2.660 5.720 -14.288 769 HG23 THR 105 2HG2 THR 105 2.704 6.215 -12.594 770 H LYS 106 H LYS 106 0.494 2.374 -12.131 771 HA LYS 106 HA LYS 106 -1.647 4.168 -12.044 772 HB2 LYS 106 2HB LYS 106 -1.699 1.157 -11.725 773 HB3 LYS 106 1HB LYS 106 -3.085 2.169 -12.110 774 HG2 LYS 106 2HG LYS 106 -2.140 2.775 -14.223 775 HG3 LYS 106 1HG LYS 106 -0.627 1.956 -13.832 776 HD2 LYS 106 2HD LYS 106 -1.858 0.514 -15.275 777 HD3 LYS 106 1HD LYS 106 -1.950 -0.176 -13.653 778 HE2 LYS 106 2HE LYS 106 -4.125 -0.281 -14.688 779 HE3 LYS 106 1HE LYS 106 -4.161 0.886 -13.367 780 HZ1 LYS 106 3HZ LYS 106 -3.918 1.535 -16.254 781 HZ2 LYS 106 1HZ LYS 106 -3.912 2.666 -14.994 782 HZ3 LYS 106 2HZ LYS 106 -5.298 1.747 -15.301 783 H LEU 107 H LEU 107 -0.866 1.586 -9.674 784 HA LEU 107 HA LEU 107 -2.800 2.181 -7.798 785 HB2 LEU 107 2HB LEU 107 -0.633 0.480 -7.910 786 HB3 LEU 107 1HB LEU 107 -0.204 1.551 -6.593 787 HG LEU 107 HG LEU 107 -2.469 -0.400 -6.775 788 HD11 LEU 107 1HD1 LEU 107 -1.654 -0.844 -4.422 789 HD12 LEU 107 2HD1 LEU 107 -0.293 0.214 -4.796 790 HD13 LEU 107 3HD1 LEU 107 -0.546 -1.262 -5.726 791 HD21 LEU 107 3HD2 LEU 107 -3.441 0.609 -4.733 792 HD22 LEU 107 1HD2 LEU 107 -3.595 1.638 -6.156 793 HD23 LEU 107 2HD2 LEU 107 -2.367 1.991 -4.941 794 H SER 108 H SER 108 0.554 3.376 -7.828 795 HA SER 108 HA SER 108 0.326 5.156 -5.690 796 HB2 SER 108 2HB SER 108 2.105 5.341 -8.133 797 HB3 SER 108 1HB SER 108 2.333 6.246 -6.634 798 HG SER 108 HG SER 108 2.461 4.138 -5.588 799 H ARG 109 H ARG 109 -0.623 5.458 -9.025 800 HA ARG 109 HA ARG 109 -0.935 8.278 -9.042 801 HB2 ARG 109 2HB ARG 109 -0.669 6.841 -11.077 802 HB3 ARG 109 1HB ARG 109 -2.296 6.242 -10.807 803 HG2 ARG 109 2HG ARG 109 -1.793 9.173 -11.084 804 HG3 ARG 109 1HG ARG 109 -1.908 8.139 -12.511 805 HD2 ARG 109 2HD ARG 109 -4.108 7.319 -11.582 806 HD3 ARG 109 1HD ARG 109 -3.996 8.624 -10.394 807 HE ARG 109 HE ARG 109 -3.651 9.785 -12.885 808 HH11 ARG 109 1HH1 ARG 109 -6.139 8.020 -11.200 809 HH12 ARG 109 2HH1 ARG 109 -7.437 8.787 -12.050 810 HH21 ARG 109 1HH2 ARG 109 -5.353 10.797 -14.008 811 HH22 ARG 109 2HH2 ARG 109 -6.991 10.367 -13.645 812 H PHE 110 H PHE 110 -3.410 5.724 -9.198 813 HA PHE 110 HA PHE 110 -5.659 7.156 -8.710 814 HB2 PHE 110 2HB PHE 110 -4.839 4.390 -7.919 815 HB3 PHE 110 1HB PHE 110 -6.354 5.036 -7.290 816 HD1 PHE 110 1HD PHE 110 -4.511 4.417 -10.456 817 HD2 PHE 110 2HD PHE 110 -8.287 4.962 -8.570 818 HE1 PHE 110 1HE PHE 110 -5.643 3.802 -12.552 819 HE2 PHE 110 2HE PHE 110 -9.424 4.347 -10.662 820 HZ PHE 110 HZ PHE 110 -8.102 3.766 -12.657 821 H ILE 111 H ILE 111 -3.409 5.911 -6.267 822 HA ILE 111 HA ILE 111 -4.755 6.901 -4.009 823 HB ILE 111 HB ILE 111 -1.798 6.433 -4.445 824 HG12 ILE 111 2HG1 ILE 111 -3.816 4.758 -2.946 825 HG13 ILE 111 1HG1 ILE 111 -3.377 4.480 -4.623 826 HG21 ILE 111 1HG2 ILE 111 -1.626 6.425 -1.991 827 HG22 ILE 111 2HG2 ILE 111 -3.309 6.941 -1.887 828 HG23 ILE 111 3HG2 ILE 111 -2.104 7.999 -2.626 829 HD11 ILE 111 3HD1 ILE 111 -1.075 4.063 -3.967 830 HD12 ILE 111 1HD1 ILE 111 -2.185 2.986 -3.121 831 HD13 ILE 111 2HD1 ILE 111 -1.495 4.377 -2.284 832 H GLU 112 H GLU 112 -1.986 8.260 -5.788 833 HA GLU 112 HA GLU 112 -1.793 10.686 -4.467 834 HB2 GLU 112 2HB GLU 112 -0.224 9.730 -6.216 835 HB3 GLU 112 1HB GLU 112 -1.356 10.314 -7.432 836 HG2 GLU 112 2HG GLU 112 0.407 11.905 -7.211 837 HG3 GLU 112 1HG GLU 112 -1.060 12.602 -6.525 838 H ILE 113 H ILE 113 -4.229 9.528 -6.528 839 HA ILE 113 HA ILE 113 -5.207 12.143 -7.302 840 HB ILE 113 HB ILE 113 -5.634 9.382 -8.162 841 HG12 ILE 113 2HG1 ILE 113 -5.944 10.462 -10.330 842 HG13 ILE 113 1HG1 ILE 113 -6.028 12.038 -9.550 843 HG21 ILE 113 1HG2 ILE 113 -7.898 9.780 -9.064 844 HG22 ILE 113 2HG2 ILE 113 -8.003 11.231 -8.066 845 HG23 ILE 113 3HG2 ILE 113 -7.843 9.646 -7.309 846 HD11 ILE 113 3HD1 ILE 113 -3.850 11.546 -10.615 847 HD12 ILE 113 1HD1 ILE 113 -3.626 10.230 -9.463 848 HD13 ILE 113 2HD1 ILE 113 -3.732 11.896 -8.891 849 H ASN 114 H ASN 114 -6.121 9.511 -5.103 850 HA ASN 114 HA ASN 114 -8.187 11.312 -4.012 851 HB2 ASN 114 2HB ASN 114 -8.333 8.309 -4.315 852 HB3 ASN 114 1HB ASN 114 -9.481 9.269 -3.383 853 HD21 ASN 114 1HD2 ASN 114 -9.798 7.600 -5.811 854 HD22 ASN 114 2HD2 ASN 114 -10.540 8.636 -6.978 855 H SER 115 H SER 115 -5.387 10.950 -3.171 856 HA SER 115 HA SER 115 -5.536 9.533 -0.658 857 HB2 SER 115 2HB SER 115 -3.218 10.289 -0.340 858 HB3 SER 115 1HB SER 115 -3.434 9.587 -1.946 859 HG SER 115 HG SER 115 -2.375 11.453 -2.316 860 H LEU 116 H LEU 116 -7.536 11.302 -0.630 861 HA LEU 116 HA LEU 116 -6.638 13.662 0.850 862 HB2 LEU 116 2HB LEU 116 -9.393 12.987 -0.168 863 HB3 LEU 116 1HB LEU 116 -8.873 14.523 0.504 864 HG LEU 116 HG LEU 116 -7.845 13.318 -2.065 865 HD11 LEU 116 1HD1 LEU 116 -9.820 15.542 -1.575 866 HD12 LEU 116 2HD1 LEU 116 -10.151 13.978 -2.320 867 HD13 LEU 116 3HD1 LEU 116 -9.113 15.145 -3.140 868 HD21 LEU 116 3HD2 LEU 116 -6.202 14.739 -0.941 869 HD22 LEU 116 1HD2 LEU 116 -7.391 16.038 -0.839 870 HD23 LEU 116 2HD2 LEU 116 -6.805 15.499 -2.413 Start of MODEL 7 1 H GLU 1 H GLU 1 36.447 2.157 6.052 2 HA GLU 1 HA GLU 1 37.558 4.171 4.397 3 HB2 GLU 1 2HB GLU 1 39.322 2.917 3.220 4 HB3 GLU 1 1HB GLU 1 39.726 3.189 4.910 5 HG2 GLU 1 2HG GLU 1 38.963 0.884 5.410 6 HG3 GLU 1 1HG GLU 1 38.716 0.635 3.683 7 H VAL 2 H VAL 2 36.053 1.154 4.910 8 HA VAL 2 HA VAL 2 35.271 0.917 2.093 9 HB VAL 2 HB VAL 2 34.376 -1.285 2.686 10 HG11 VAL 2 1HG1 VAL 2 37.198 -0.868 3.670 11 HG12 VAL 2 2HG1 VAL 2 36.711 -1.089 1.989 12 HG13 VAL 2 3HG1 VAL 2 36.497 -2.400 3.149 13 HG21 VAL 2 3HG2 VAL 2 34.814 -2.220 4.932 14 HG22 VAL 2 1HG2 VAL 2 33.680 -0.870 4.962 15 HG23 VAL 2 2HG2 VAL 2 35.353 -0.627 5.463 16 H GLU 3 H GLU 3 32.946 0.290 1.705 17 HA GLU 3 HA GLU 3 31.113 1.557 3.616 18 HB2 GLU 3 2HB GLU 3 31.137 2.085 0.639 19 HB3 GLU 3 1HB GLU 3 29.942 2.692 1.776 20 HG2 GLU 3 2HG GLU 3 31.598 4.029 2.887 21 HG3 GLU 3 1HG GLU 3 32.879 3.330 1.896 22 H LYS 4 H LYS 4 29.411 0.326 4.046 23 HA LYS 4 HA LYS 4 29.013 -2.195 2.855 24 HB2 LYS 4 2HB LYS 4 28.304 -1.761 5.134 25 HB3 LYS 4 1HB LYS 4 27.177 -0.527 4.587 26 HG2 LYS 4 2HG LYS 4 25.938 -2.293 3.352 27 HG3 LYS 4 1HG LYS 4 27.011 -3.490 4.077 28 HD2 LYS 4 2HD LYS 4 25.357 -1.555 5.689 29 HD3 LYS 4 1HD LYS 4 24.794 -3.164 5.234 30 HE2 LYS 4 2HE LYS 4 27.289 -2.578 6.827 31 HE3 LYS 4 1HE LYS 4 25.747 -3.097 7.507 32 HZ1 LYS 4 3HZ LYS 4 27.431 -4.647 5.613 33 HZ2 LYS 4 1HZ LYS 4 25.926 -5.143 6.210 34 HZ3 LYS 4 2HZ LYS 4 27.237 -4.964 7.264 35 H SER 5 H SER 5 27.304 0.888 2.496 36 HA SER 5 HA SER 5 25.693 1.588 1.039 37 HB2 SER 5 2HB SER 5 26.277 1.251 -1.331 38 HB3 SER 5 1HB SER 5 27.693 1.681 -0.373 39 HG SER 5 HG SER 5 28.121 -0.062 -1.782 40 H SER 6 H SER 6 24.386 -0.155 2.348 41 HA SER 6 HA SER 6 23.323 -2.165 0.487 42 HB2 SER 6 2HB SER 6 24.109 -3.057 2.635 43 HB3 SER 6 1HB SER 6 23.024 -1.966 3.495 44 HG SER 6 HG SER 6 22.113 -4.042 3.274 45 H ASP 7 H ASP 7 22.091 -0.586 -0.676 46 HA ASP 7 HA ASP 7 19.590 0.109 0.702 47 HB2 ASP 7 2HB ASP 7 20.918 2.150 0.566 48 HB3 ASP 7 1HB ASP 7 21.151 1.910 -1.163 49 H GLY 8 H GLY 8 18.059 -1.060 -0.246 50 HA2 GLY 8 2HA GLY 8 16.852 -0.830 -2.556 51 HA3 GLY 8 1HA GLY 8 18.283 -1.692 -3.100 52 HA PRO 9 HA PRO 9 16.144 -5.499 -2.394 53 HB2 PRO 9 2HB PRO 9 18.744 -6.617 -1.508 54 HB3 PRO 9 1HB PRO 9 17.677 -7.143 -2.815 55 HG2 PRO 9 2HG PRO 9 19.970 -5.883 -3.339 56 HG3 PRO 9 1HG PRO 9 18.515 -5.583 -4.309 57 HD2 PRO 9 2HD PRO 9 19.730 -3.912 -2.143 58 HD3 PRO 9 1HD PRO 9 18.991 -3.407 -3.677 59 H GLY 10 H GLY 10 14.859 -5.222 -0.617 60 HA2 GLY 10 2HA GLY 10 15.727 -6.421 1.835 61 HA3 GLY 10 1HA GLY 10 15.558 -4.677 1.984 62 H ALA 11 H ALA 11 13.654 -3.974 2.652 63 HA ALA 11 HA ALA 11 11.173 -4.931 1.687 64 HB1 ALA 11 1HB ALA 11 11.821 -5.739 4.522 65 HB2 ALA 11 2HB ALA 11 11.723 -6.842 3.149 66 HB3 ALA 11 3HB ALA 11 10.285 -5.972 3.687 67 H ALA 12 H ALA 12 12.784 -3.486 4.489 68 HA ALA 12 HA ALA 12 12.464 -1.550 5.622 69 HB1 ALA 12 1HB ALA 12 10.910 -0.561 3.248 70 HB2 ALA 12 2HB ALA 12 12.667 -0.689 3.256 71 HB3 ALA 12 3HB ALA 12 11.856 0.375 4.407 72 H GLN 13 H GLN 13 9.429 -1.253 3.835 73 HA GLN 13 HA GLN 13 7.958 -1.944 6.282 74 HB2 GLN 13 2HB GLN 13 6.423 -0.049 5.867 75 HB3 GLN 13 1HB GLN 13 8.063 0.472 6.225 76 HG2 GLN 13 2HG GLN 13 8.461 0.801 3.822 77 HG3 GLN 13 1HG GLN 13 6.791 0.333 3.499 78 HE21 GLN 13 1HE2 GLN 13 5.777 1.664 5.883 79 HE22 GLN 13 2HE2 GLN 13 5.806 3.358 5.540 80 H GLU 14 H GLU 14 5.975 -2.922 5.987 81 HA GLU 14 HA GLU 14 5.166 -3.450 3.208 82 HB2 GLU 14 2HB GLU 14 4.759 -5.759 3.703 83 HB3 GLU 14 1HB GLU 14 6.396 -5.383 4.221 84 HG2 GLU 14 2HG GLU 14 5.540 -5.125 6.537 85 HG3 GLU 14 1HG GLU 14 3.965 -5.674 5.965 86 HA PRO 15 HA PRO 15 1.074 -2.364 4.430 87 HB2 PRO 15 2HB PRO 15 -0.458 -4.151 3.044 88 HB3 PRO 15 1HB PRO 15 0.335 -2.756 2.306 89 HG2 PRO 15 2HG PRO 15 1.170 -5.619 2.331 90 HG3 PRO 15 1HG PRO 15 1.266 -4.430 1.023 91 HD2 PRO 15 2HD PRO 15 3.402 -5.142 2.539 92 HD3 PRO 15 1HD PRO 15 3.223 -3.532 1.811 93 H THR 16 H THR 16 -0.429 -2.790 5.972 94 HA THR 16 HA THR 16 0.059 -4.803 7.865 95 HB THR 16 HB THR 16 -2.555 -3.329 7.516 96 HG1 THR 16 1HG THR 16 -1.630 -1.644 8.596 97 HG21 THR 16 3HG2 THR 16 -2.569 -5.167 9.148 98 HG22 THR 16 1HG2 THR 16 -2.727 -3.598 9.937 99 HG23 THR 16 2HG2 THR 16 -1.181 -4.446 9.962 100 H TRP 17 H TRP 17 -1.245 -6.580 8.514 101 HA TRP 17 HA TRP 17 -2.520 -7.927 6.246 102 HB2 TRP 17 2HB TRP 17 -1.481 -9.009 8.871 103 HB3 TRP 17 1HB TRP 17 -2.246 -9.985 7.621 104 HD1 TRP 17 HD TRP 17 0.942 -7.900 8.224 105 HE1 TRP 17 1HE TRP 17 2.779 -8.763 6.641 106 HE3 TRP 17 3HE TRP 17 -1.820 -11.246 5.519 107 HZ2 TRP 17 2HZ TRP 17 3.026 -10.615 4.528 108 HZ3 TRP 17 3HZ TRP 17 -0.707 -12.524 3.735 109 HH2 TRP 17 HH TRP 17 1.667 -12.215 3.252 110 H LEU 18 H LEU 18 -4.543 -6.920 6.331 111 HA LEU 18 HA LEU 18 -6.117 -6.989 8.762 112 HB2 LEU 18 2HB LEU 18 -6.933 -6.229 5.957 113 HB3 LEU 18 1HB LEU 18 -7.827 -5.892 7.427 114 HG LEU 18 HG LEU 18 -5.107 -4.764 6.774 115 HD11 LEU 18 1HD1 LEU 18 -6.735 -3.849 5.267 116 HD12 LEU 18 2HD1 LEU 18 -6.323 -2.637 6.480 117 HD13 LEU 18 3HD1 LEU 18 -7.842 -3.524 6.600 118 HD21 LEU 18 3HD2 LEU 18 -7.027 -4.227 9.031 119 HD22 LEU 18 1HD2 LEU 18 -5.602 -3.251 8.674 120 HD23 LEU 18 2HD2 LEU 18 -5.419 -4.940 9.148 121 H THR 19 H THR 19 -5.869 -9.385 8.883 122 HA THR 19 HA THR 19 -7.142 -11.076 6.988 123 HB THR 19 HB THR 19 -6.831 -12.862 8.599 124 HG1 THR 19 1HG THR 19 -6.332 -10.712 10.390 125 HG21 THR 19 3HG2 THR 19 -4.871 -12.124 7.332 126 HG22 THR 19 1HG2 THR 19 -4.409 -12.684 8.940 127 HG23 THR 19 2HG2 THR 19 -4.488 -10.955 8.595 128 H ASP 20 H ASP 20 -8.541 -8.913 9.057 129 HA ASP 20 HA ASP 20 -11.053 -10.402 8.970 130 HB2 ASP 20 2HB ASP 20 -9.902 -9.205 11.495 131 HB3 ASP 20 1HB ASP 20 -11.562 -9.771 11.330 132 H VAL 21 H VAL 21 -12.908 -9.164 8.941 133 HA VAL 21 HA VAL 21 -12.793 -6.700 7.674 134 HB VAL 21 HB VAL 21 -15.091 -7.695 9.366 135 HG11 VAL 21 1HG1 VAL 21 -16.464 -6.356 7.828 136 HG12 VAL 21 2HG1 VAL 21 -14.995 -5.769 7.047 137 HG13 VAL 21 3HG1 VAL 21 -15.319 -5.365 8.733 138 HG21 VAL 21 3HG2 VAL 21 -14.403 -9.405 7.778 139 HG22 VAL 21 1HG2 VAL 21 -14.463 -8.230 6.464 140 HG23 VAL 21 2HG2 VAL 21 -15.945 -8.698 7.297 141 HA PRO 22 HA PRO 22 -13.760 -4.644 12.021 142 HB2 PRO 22 2HB PRO 22 -12.535 -5.997 14.098 143 HB3 PRO 22 1HB PRO 22 -14.259 -6.082 13.718 144 HG2 PRO 22 2HG PRO 22 -12.060 -7.974 13.000 145 HG3 PRO 22 1HG PRO 22 -13.720 -8.326 13.519 146 HD2 PRO 22 2HD PRO 22 -12.996 -8.500 10.949 147 HD3 PRO 22 1HD PRO 22 -14.600 -7.896 11.415 148 H ALA 23 H ALA 23 -10.788 -6.617 11.882 149 HA ALA 23 HA ALA 23 -9.079 -4.631 12.903 150 HB1 ALA 23 1HB ALA 23 -7.253 -5.992 12.122 151 HB2 ALA 23 2HB ALA 23 -8.321 -6.862 11.017 152 HB3 ALA 23 3HB ALA 23 -8.511 -7.052 12.762 153 H ALA 24 H ALA 24 -10.284 -5.333 9.732 154 HA ALA 24 HA ALA 24 -8.517 -3.718 8.231 155 HB1 ALA 24 1HB ALA 24 -11.371 -4.517 7.632 156 HB2 ALA 24 2HB ALA 24 -9.921 -5.404 7.164 157 HB3 ALA 24 3HB ALA 24 -10.246 -3.811 6.473 158 H MET 25 H MET 25 -11.898 -3.092 9.171 159 HA MET 25 HA MET 25 -11.941 -0.384 8.495 160 HB2 MET 25 2HB MET 25 -13.569 -1.864 10.567 161 HB3 MET 25 1HB MET 25 -13.945 -0.264 9.943 162 HG2 MET 25 2HG MET 25 -13.576 -2.248 7.850 163 HG3 MET 25 1HG MET 25 -14.883 -2.642 8.963 164 HE1 MET 25 3HE MET 25 -16.773 -1.120 5.880 165 HE2 MET 25 1HE MET 25 -16.593 -2.522 6.934 166 HE3 MET 25 2HE MET 25 -15.297 -2.084 5.821 167 H GLU 26 H GLU 26 -10.643 -1.993 11.292 168 HA GLU 26 HA GLU 26 -10.661 0.307 12.989 169 HB2 GLU 26 2HB GLU 26 -9.345 -2.379 13.110 170 HB3 GLU 26 1HB GLU 26 -8.826 -1.106 14.207 171 HG2 GLU 26 2HG GLU 26 -11.264 -0.857 14.843 172 HG3 GLU 26 1HG GLU 26 -11.532 -2.371 13.977 173 H PHE 27 H PHE 27 -8.095 -1.335 11.139 174 HA PHE 27 HA PHE 27 -6.080 0.518 11.696 175 HB2 PHE 27 2HB PHE 27 -6.510 -1.591 9.669 176 HB3 PHE 27 1HB PHE 27 -5.361 -0.332 9.226 177 HD1 PHE 27 1HD PHE 27 -6.060 -3.098 11.514 178 HD2 PHE 27 2HD PHE 27 -3.279 -0.069 10.418 179 HE1 PHE 27 1HE PHE 27 -4.331 -4.200 12.873 180 HE2 PHE 27 2HE PHE 27 -1.544 -1.166 11.773 181 HZ PHE 27 HZ PHE 27 -2.069 -3.233 13.005 182 H ILE 28 H ILE 28 -8.688 0.523 9.369 183 HA ILE 28 HA ILE 28 -7.745 2.796 7.899 184 HB ILE 28 HB ILE 28 -10.406 1.395 8.047 185 HG12 ILE 28 2HG1 ILE 28 -8.611 1.829 5.662 186 HG13 ILE 28 1HG1 ILE 28 -8.405 0.462 6.758 187 HG21 ILE 28 1HG2 ILE 28 -11.145 2.884 6.194 188 HG22 ILE 28 2HG2 ILE 28 -9.741 3.898 6.514 189 HG23 ILE 28 3HG2 ILE 28 -10.981 3.697 7.747 190 HD11 ILE 28 3HD1 ILE 28 -9.753 0.107 4.621 191 HD12 ILE 28 1HD1 ILE 28 -11.030 1.015 5.430 192 HD13 ILE 28 2HD1 ILE 28 -10.437 -0.491 6.133 193 H ALA 29 H ALA 29 -10.013 2.268 10.549 194 HA ALA 29 HA ALA 29 -10.910 4.966 10.712 195 HB1 ALA 29 1HB ALA 29 -11.054 2.720 12.728 196 HB2 ALA 29 2HB ALA 29 -12.291 3.162 11.549 197 HB3 ALA 29 3HB ALA 29 -11.893 4.268 12.865 198 H ALA 30 H ALA 30 -8.063 3.395 11.676 199 HA ALA 30 HA ALA 30 -7.486 5.348 13.781 200 HB1 ALA 30 1HB ALA 30 -5.896 2.948 12.889 201 HB2 ALA 30 2HB ALA 30 -7.015 2.995 14.252 202 HB3 ALA 30 3HB ALA 30 -5.544 3.968 14.283 203 H THR 31 H THR 31 -7.609 6.025 10.891 204 HA THR 31 HA THR 31 -5.332 7.708 10.786 205 HB THR 31 HB THR 31 -4.141 5.681 10.177 206 HG1 THR 31 1HG THR 31 -4.630 7.402 7.957 207 HG21 THR 31 3HG2 THR 31 -5.865 5.407 7.741 208 HG22 THR 31 1HG2 THR 31 -6.289 4.606 9.254 209 HG23 THR 31 2HG2 THR 31 -4.760 4.236 8.462 210 H GLU 32 H GLU 32 -5.329 9.119 8.958 211 HA GLU 32 HA GLU 32 -7.906 9.847 8.054 212 HB2 GLU 32 2HB GLU 32 -5.627 11.187 8.287 213 HB3 GLU 32 1HB GLU 32 -5.466 10.752 6.591 214 HG2 GLU 32 2HG GLU 32 -7.550 11.842 6.071 215 HG3 GLU 32 1HG GLU 32 -7.824 12.191 7.778 216 H VAL 33 H VAL 33 -5.187 9.143 5.864 217 HA VAL 33 HA VAL 33 -7.092 7.950 3.990 218 HB VAL 33 HB VAL 33 -4.195 8.604 3.474 219 HG11 VAL 33 1HG1 VAL 33 -6.529 8.159 1.611 220 HG12 VAL 33 2HG1 VAL 33 -5.184 7.047 1.889 221 HG13 VAL 33 3HG1 VAL 33 -4.891 8.609 1.124 222 HG21 VAL 33 3HG2 VAL 33 -5.277 10.642 4.140 223 HG22 VAL 33 1HG2 VAL 33 -6.649 10.306 3.082 224 HG23 VAL 33 2HG2 VAL 33 -5.066 10.665 2.390 225 H ALA 34 H ALA 34 -7.039 5.836 3.387 226 HA ALA 34 HA ALA 34 -4.827 4.162 4.331 227 HB1 ALA 34 1HB ALA 34 -7.736 3.710 4.946 228 HB2 ALA 34 2HB ALA 34 -6.407 3.917 6.086 229 HB3 ALA 34 3HB ALA 34 -6.506 2.455 5.102 230 H VAL 35 H VAL 35 -4.122 2.856 2.800 231 HA VAL 35 HA VAL 35 -5.971 2.120 0.629 232 HB VAL 35 HB VAL 35 -2.997 2.608 0.539 233 HG11 VAL 35 1HG1 VAL 35 -3.404 0.591 -0.735 234 HG12 VAL 35 2HG1 VAL 35 -3.135 1.933 -1.848 235 HG13 VAL 35 3HG1 VAL 35 -4.772 1.346 -1.554 236 HG21 VAL 35 3HG2 VAL 35 -4.334 4.585 0.349 237 HG22 VAL 35 1HG2 VAL 35 -5.390 3.811 -0.836 238 HG23 VAL 35 2HG2 VAL 35 -3.713 4.184 -1.255 239 H ILE 36 H ILE 36 -6.288 0.030 0.234 240 HA ILE 36 HA ILE 36 -4.534 -1.921 1.545 241 HB ILE 36 HB ILE 36 -7.541 -1.862 1.775 242 HG12 ILE 36 2HG1 ILE 36 -5.653 -1.894 4.088 243 HG13 ILE 36 1HG1 ILE 36 -5.889 -0.381 3.222 244 HG21 ILE 36 1HG2 ILE 36 -6.839 -4.150 1.559 245 HG22 ILE 36 2HG2 ILE 36 -7.219 -3.840 3.255 246 HG23 ILE 36 3HG2 ILE 36 -5.537 -3.909 2.724 247 HD11 ILE 36 3HD1 ILE 36 -7.958 -2.021 4.639 248 HD12 ILE 36 1HD1 ILE 36 -8.327 -0.632 3.617 249 HD13 ILE 36 2HD1 ILE 36 -7.356 -0.419 5.076 250 H GLY 37 H GLY 37 -4.242 -3.811 0.501 251 HA2 GLY 37 2HA GLY 37 -5.456 -4.019 -2.160 252 HA3 GLY 37 1HA GLY 37 -3.956 -4.777 -1.666 253 H PHE 38 H PHE 38 -7.389 -5.079 -1.846 254 HA PHE 38 HA PHE 38 -7.485 -7.500 -0.251 255 HB2 PHE 38 2HB PHE 38 -9.610 -6.180 -1.964 256 HB3 PHE 38 1HB PHE 38 -9.868 -7.551 -0.888 257 HD1 PHE 38 2HD PHE 38 -8.773 -7.037 1.573 258 HD2 PHE 38 1HD PHE 38 -10.398 -4.189 -1.137 259 HE1 PHE 38 2HE PHE 38 -9.211 -5.507 3.450 260 HE2 PHE 38 1HE PHE 38 -10.839 -2.657 0.738 261 HZ PHE 38 HZ PHE 38 -10.247 -3.315 3.033 262 H PHE 39 H PHE 39 -6.192 -8.982 -1.258 263 HA PHE 39 HA PHE 39 -6.885 -9.690 -4.030 264 HB2 PHE 39 2HB PHE 39 -4.312 -10.330 -2.594 265 HB3 PHE 39 1HB PHE 39 -4.647 -10.489 -4.317 266 HD1 PHE 39 2HD PHE 39 -5.907 -7.949 -4.968 267 HD2 PHE 39 1HD PHE 39 -2.619 -8.777 -2.402 268 HE1 PHE 39 2HE PHE 39 -5.048 -5.678 -5.347 269 HE2 PHE 39 1HE PHE 39 -1.751 -6.505 -2.775 270 HZ PHE 39 HZ PHE 39 -2.966 -4.953 -4.250 271 H GLN 40 H GLN 40 -7.362 -11.749 -4.577 272 HA GLN 40 HA GLN 40 -7.927 -13.609 -2.421 273 HB2 GLN 40 2HB GLN 40 -8.365 -13.837 -5.410 274 HB3 GLN 40 1HB GLN 40 -8.921 -15.003 -4.217 275 HG2 GLN 40 2HG GLN 40 -10.340 -13.277 -3.208 276 HG3 GLN 40 1HG GLN 40 -9.800 -12.132 -4.436 277 HE21 GLN 40 1HE2 GLN 40 -12.483 -13.121 -3.836 278 HE22 GLN 40 2HE2 GLN 40 -13.072 -13.823 -5.300 279 H ASP 41 H ASP 41 -5.389 -12.799 -4.375 280 HA ASP 41 HA ASP 41 -3.906 -15.205 -3.697 281 HB2 ASP 41 2HB ASP 41 -4.932 -15.575 -5.982 282 HB3 ASP 41 1HB ASP 41 -3.985 -14.201 -6.557 283 H LEU 42 H LEU 42 -1.986 -14.550 -2.896 284 HA LEU 42 HA LEU 42 -1.136 -11.818 -3.439 285 HB2 LEU 42 2HB LEU 42 -0.093 -13.840 -1.458 286 HB3 LEU 42 1HB LEU 42 0.494 -12.193 -1.614 287 HG LEU 42 HG LEU 42 -2.300 -12.995 -0.809 288 HD11 LEU 42 1HD1 LEU 42 -1.660 -12.073 1.377 289 HD12 LEU 42 2HD1 LEU 42 -0.017 -11.833 0.784 290 HD13 LEU 42 3HD1 LEU 42 -0.673 -13.464 0.930 291 HD21 LEU 42 3HD2 LEU 42 -1.007 -10.279 -1.046 292 HD22 LEU 42 1HD2 LEU 42 -2.584 -10.594 -0.323 293 HD23 LEU 42 2HD2 LEU 42 -2.324 -10.908 -2.038 294 H GLU 43 H GLU 43 -0.872 -13.335 -5.651 295 HA GLU 43 HA GLU 43 2.046 -13.455 -5.956 296 HB2 GLU 43 2HB GLU 43 0.121 -15.469 -7.136 297 HB3 GLU 43 1HB GLU 43 1.860 -15.431 -7.386 298 HG2 GLU 43 2HG GLU 43 2.209 -15.868 -5.018 299 HG3 GLU 43 1HG GLU 43 0.464 -15.902 -4.767 300 H ILE 44 H ILE 44 -0.530 -11.821 -6.680 301 HA ILE 44 HA ILE 44 -0.240 -11.637 -9.574 302 HB ILE 44 HB ILE 44 -2.033 -9.809 -9.227 303 HG12 ILE 44 2HG1 ILE 44 -2.601 -11.280 -6.690 304 HG13 ILE 44 1HG1 ILE 44 -1.491 -9.921 -6.673 305 HG21 ILE 44 1HG2 ILE 44 -2.371 -12.105 -10.153 306 HG22 ILE 44 2HG2 ILE 44 -3.780 -11.432 -9.333 307 HG23 ILE 44 3HG2 ILE 44 -2.785 -12.642 -8.520 308 HD11 ILE 44 3HD1 ILE 44 -3.500 -8.958 -6.119 309 HD12 ILE 44 1HD1 ILE 44 -4.408 -9.964 -7.249 310 HD13 ILE 44 2HD1 ILE 44 -3.392 -8.654 -7.853 311 HA PRO 45 HA PRO 45 2.387 -8.098 -9.883 312 HB2 PRO 45 2HB PRO 45 0.158 -6.778 -11.369 313 HB3 PRO 45 1HB PRO 45 1.853 -6.961 -11.825 314 HG2 PRO 45 2HG PRO 45 0.009 -8.487 -12.954 315 HG3 PRO 45 1HG PRO 45 1.568 -9.186 -12.470 316 HD2 PRO 45 2HD PRO 45 -1.102 -9.401 -11.140 317 HD3 PRO 45 1HD PRO 45 0.173 -10.624 -11.317 318 H ALA 46 H ALA 46 -0.903 -7.658 -8.805 319 HA ALA 46 HA ALA 46 -0.725 -4.962 -7.991 320 HB1 ALA 46 1HB ALA 46 -2.522 -7.076 -6.828 321 HB2 ALA 46 2HB ALA 46 -2.830 -6.251 -8.356 322 HB3 ALA 46 3HB ALA 46 -2.788 -5.331 -6.849 323 H VAL 47 H VAL 47 0.005 -7.986 -6.310 324 HA VAL 47 HA VAL 47 0.171 -6.917 -3.725 325 HB VAL 47 HB VAL 47 1.916 -9.199 -4.607 326 HG11 VAL 47 1HG1 VAL 47 1.427 -10.023 -2.350 327 HG12 VAL 47 2HG1 VAL 47 0.433 -8.597 -2.048 328 HG13 VAL 47 3HG1 VAL 47 2.168 -8.422 -2.314 329 HG21 VAL 47 3HG2 VAL 47 -0.356 -9.477 -5.571 330 HG22 VAL 47 1HG2 VAL 47 -1.017 -9.389 -3.939 331 HG23 VAL 47 2HG2 VAL 47 0.061 -10.710 -4.384 332 HA PRO 48 HA PRO 48 4.980 -6.385 -4.476 333 HB2 PRO 48 2HB PRO 48 5.026 -6.113 -7.430 334 HB3 PRO 48 1HB PRO 48 6.167 -6.938 -6.360 335 HG2 PRO 48 2HG PRO 48 4.492 -8.328 -7.891 336 HG3 PRO 48 1HG PRO 48 4.864 -8.856 -6.238 337 HD2 PRO 48 2HD PRO 48 2.439 -7.436 -7.270 338 HD3 PRO 48 1HD PRO 48 2.552 -8.767 -6.106 339 H ILE 49 H ILE 49 2.840 -5.012 -6.932 340 HA ILE 49 HA ILE 49 3.979 -2.460 -7.063 341 HB ILE 49 HB ILE 49 1.339 -3.615 -7.801 342 HG12 ILE 49 2HG1 ILE 49 3.104 -1.957 -9.542 343 HG13 ILE 49 1HG1 ILE 49 3.606 -3.589 -9.120 344 HG21 ILE 49 1HG2 ILE 49 1.909 -0.705 -7.511 345 HG22 ILE 49 2HG2 ILE 49 0.457 -1.611 -7.090 346 HG23 ILE 49 3HG2 ILE 49 0.830 -1.280 -8.780 347 HD11 ILE 49 3HD1 ILE 49 0.904 -3.040 -10.277 348 HD12 ILE 49 1HD1 ILE 49 1.806 -4.554 -10.230 349 HD13 ILE 49 2HD1 ILE 49 2.327 -3.249 -11.297 350 H LEU 50 H LEU 50 1.569 -3.824 -4.888 351 HA LEU 50 HA LEU 50 0.890 -1.311 -3.695 352 HB2 LEU 50 2HB LEU 50 -0.709 -3.124 -3.628 353 HB3 LEU 50 1HB LEU 50 0.431 -4.148 -2.785 354 HG LEU 50 HG LEU 50 0.341 -2.523 -0.864 355 HD11 LEU 50 1HD1 LEU 50 -0.497 -0.605 -2.169 356 HD12 LEU 50 2HD1 LEU 50 -1.477 -0.951 -0.745 357 HD13 LEU 50 3HD1 LEU 50 -2.043 -1.433 -2.344 358 HD21 LEU 50 3HD2 LEU 50 -0.996 -4.678 -1.085 359 HD22 LEU 50 1HD2 LEU 50 -2.374 -3.650 -1.500 360 HD23 LEU 50 2HD2 LEU 50 -1.582 -3.481 0.072 361 H HIS 51 H HIS 51 2.842 -4.105 -2.648 362 HA HIS 51 HA HIS 51 3.789 -3.069 -0.255 363 HB2 HIS 51 2HB HIS 51 5.043 -4.948 -2.251 364 HB3 HIS 51 1HB HIS 51 5.865 -4.500 -0.761 365 HD1 HIS 51 1HD HIS 51 2.321 -5.696 -1.525 366 HD2 HIS 51 2HD HIS 51 5.502 -6.464 1.036 367 HE1 HIS 51 1HE HIS 51 1.546 -7.562 -0.029 368 HE2 HIS 51 2HE HIS 51 3.519 -8.071 1.450 369 H SER 52 H SER 52 4.594 -2.294 -3.528 370 HA SER 52 HA SER 52 7.028 -0.886 -2.883 371 HB2 SER 52 2HB SER 52 5.390 -1.018 -5.425 372 HB3 SER 52 1HB SER 52 6.927 -0.167 -5.278 373 HG SER 52 HG SER 52 6.591 -2.680 -5.863 374 H MET 53 H MET 53 3.718 -0.001 -3.835 375 HA MET 53 HA MET 53 4.077 2.775 -3.810 376 HB2 MET 53 2HB MET 53 1.786 2.954 -4.026 377 HB3 MET 53 1HB MET 53 2.051 1.316 -4.598 378 HG2 MET 53 2HG MET 53 0.219 1.095 -3.223 379 HG3 MET 53 1HG MET 53 1.551 0.620 -2.175 380 HE1 MET 53 3HE MET 53 -0.787 2.375 0.390 381 HE2 MET 53 1HE MET 53 0.230 0.968 0.077 382 HE3 MET 53 2HE MET 53 -1.195 1.267 -0.919 383 H VAL 54 H VAL 54 3.757 0.456 -1.292 384 HA VAL 54 HA VAL 54 2.860 1.935 0.856 385 HB VAL 54 HB VAL 54 4.921 -0.254 0.744 386 HG11 VAL 54 1HG1 VAL 54 3.624 0.937 3.180 387 HG12 VAL 54 2HG1 VAL 54 5.326 1.067 2.740 388 HG13 VAL 54 3HG1 VAL 54 4.637 -0.504 3.158 389 HG21 VAL 54 3HG2 VAL 54 2.887 -1.187 0.148 390 HG22 VAL 54 1HG2 VAL 54 1.976 -0.143 1.237 391 HG23 VAL 54 2HG2 VAL 54 2.944 -1.465 1.887 392 H GLN 55 H GLN 55 6.172 1.623 -0.370 393 HA GLN 55 HA GLN 55 7.231 3.450 1.573 394 HB2 GLN 55 2HB GLN 55 8.610 2.576 -0.943 395 HB3 GLN 55 1HB GLN 55 9.317 3.045 0.598 396 HG2 GLN 55 2HG GLN 55 8.475 1.014 1.626 397 HG3 GLN 55 1HG GLN 55 7.710 0.550 0.106 398 HE21 GLN 55 1HE2 GLN 55 9.732 -0.841 1.679 399 HE22 GLN 55 2HE2 GLN 55 11.083 -1.071 0.627 400 H LYS 56 H LYS 56 5.503 3.808 -1.260 401 HA LYS 56 HA LYS 56 6.762 6.332 -2.022 402 HB2 LYS 56 2HB LYS 56 4.442 4.862 -3.287 403 HB3 LYS 56 1HB LYS 56 5.249 6.278 -3.945 404 HG2 LYS 56 2HG LYS 56 7.303 5.009 -4.208 405 HG3 LYS 56 1HG LYS 56 6.529 3.588 -3.504 406 HD2 LYS 56 2HD LYS 56 6.445 3.272 -5.840 407 HD3 LYS 56 1HD LYS 56 4.821 3.778 -5.371 408 HE2 LYS 56 2HE LYS 56 5.364 5.007 -7.320 409 HE3 LYS 56 1HE LYS 56 5.513 6.127 -5.967 410 HZ1 LYS 56 3HZ LYS 56 7.899 5.812 -6.000 411 HZ2 LYS 56 1HZ LYS 56 7.361 6.329 -7.518 412 HZ3 LYS 56 2HZ LYS 56 7.770 4.708 -7.274 413 H PHE 57 H PHE 57 4.162 5.093 -0.203 414 HA PHE 57 HA PHE 57 3.145 7.811 0.218 415 HB2 PHE 57 2HB PHE 57 1.561 5.378 -0.536 416 HB3 PHE 57 1HB PHE 57 0.821 6.689 0.379 417 HD1 PHE 57 1HD PHE 57 0.652 8.945 -0.615 418 HD2 PHE 57 2HD PHE 57 2.006 5.590 -2.854 419 HE1 PHE 57 1HE PHE 57 0.245 10.181 -2.703 420 HE2 PHE 57 2HE PHE 57 1.600 6.820 -4.948 421 HZ PHE 57 HZ PHE 57 0.719 9.118 -4.874 422 HA PRO 58 HA PRO 58 4.224 5.391 4.167 423 HB2 PRO 58 2HB PRO 58 5.236 7.736 5.298 424 HB3 PRO 58 1HB PRO 58 6.199 6.443 4.580 425 HG2 PRO 58 2HG PRO 58 5.282 9.021 3.375 426 HG3 PRO 58 1HG PRO 58 6.840 8.187 3.194 427 HD2 PRO 58 2HD PRO 58 5.027 8.081 1.253 428 HD3 PRO 58 1HD PRO 58 5.964 6.636 1.681 429 H GLY 59 H GLY 59 3.052 8.729 3.719 430 HA2 GLY 59 2HA GLY 59 1.640 9.000 6.102 431 HA3 GLY 59 1HA GLY 59 1.229 9.819 4.599 432 H VAL 60 H VAL 60 0.645 7.587 3.034 433 HA VAL 60 HA VAL 60 -2.049 7.079 3.741 434 HB VAL 60 HB VAL 60 -0.199 6.008 1.627 435 HG11 VAL 60 1HG1 VAL 60 -3.041 5.096 2.087 436 HG12 VAL 60 2HG1 VAL 60 -1.593 4.110 2.280 437 HG13 VAL 60 3HG1 VAL 60 -2.047 4.706 0.683 438 HG21 VAL 60 3HG2 VAL 60 -1.887 7.076 0.147 439 HG22 VAL 60 1HG2 VAL 60 -1.085 8.202 1.243 440 HG23 VAL 60 2HG2 VAL 60 -2.726 7.653 1.590 441 H SER 61 H SER 61 -3.019 5.221 4.576 442 HA SER 61 HA SER 61 -1.297 3.599 6.227 443 HB2 SER 61 2HB SER 61 -3.516 4.425 7.019 444 HB3 SER 61 1HB SER 61 -4.283 3.359 5.844 445 HG SER 61 HG SER 61 -3.227 1.601 6.911 446 H PHE 62 H PHE 62 -0.110 2.251 4.983 447 HA PHE 62 HA PHE 62 -1.090 0.794 2.776 448 HB2 PHE 62 2HB PHE 62 1.008 -0.666 3.316 449 HB3 PHE 62 1HB PHE 62 1.219 0.995 2.768 450 HD1 PHE 62 1HD PHE 62 1.407 -1.253 5.668 451 HD2 PHE 62 2HD PHE 62 2.097 2.686 4.219 452 HE1 PHE 62 1HE PHE 62 2.727 -0.750 7.679 453 HE2 PHE 62 2HE PHE 62 3.419 3.197 6.228 454 HZ PHE 62 HZ PHE 62 3.734 1.477 7.963 455 H GLY 63 H GLY 63 -2.299 -0.963 2.688 456 HA2 GLY 63 2HA GLY 63 -2.251 -2.868 4.909 457 HA3 GLY 63 1HA GLY 63 -3.799 -2.157 4.469 458 H ILE 64 H ILE 64 -3.403 -4.879 4.399 459 HA ILE 64 HA ILE 64 -4.096 -5.435 1.681 460 HB ILE 64 HB ILE 64 -1.455 -5.491 1.971 461 HG12 ILE 64 2HG1 ILE 64 -3.024 -7.566 0.434 462 HG13 ILE 64 1HG1 ILE 64 -2.682 -5.926 -0.101 463 HG21 ILE 64 1HG2 ILE 64 -0.639 -7.772 2.354 464 HG22 ILE 64 2HG2 ILE 64 -2.267 -8.271 2.799 465 HG23 ILE 64 3HG2 ILE 64 -1.407 -7.094 3.789 466 HD11 ILE 64 3HD1 ILE 64 -1.205 -7.489 -1.191 467 HD12 ILE 64 1HD1 ILE 64 -0.661 -8.105 0.368 468 HD13 ILE 64 2HD1 ILE 64 -0.285 -6.446 -0.105 469 H SER 65 H SER 65 -5.217 -7.365 1.479 470 HA SER 65 HA SER 65 -5.329 -9.172 3.753 471 HB2 SER 65 2HB SER 65 -6.976 -7.511 4.412 472 HB3 SER 65 1HB SER 65 -7.749 -7.611 2.831 473 HG SER 65 HG SER 65 -8.926 -8.901 4.165 474 H THR 66 H THR 66 -6.508 -11.122 3.331 475 HA THR 66 HA THR 66 -7.142 -11.636 0.517 476 HB THR 66 HB THR 66 -5.960 -13.792 0.584 477 HG1 THR 66 1HG THR 66 -5.445 -12.947 3.205 478 HG21 THR 66 3HG2 THR 66 -4.102 -11.526 1.296 479 HG22 THR 66 1HG2 THR 66 -4.862 -11.728 -0.284 480 HG23 THR 66 2HG2 THR 66 -3.734 -12.945 0.314 481 H ASP 67 H ASP 67 -8.055 -11.730 3.669 482 HA ASP 67 HA ASP 67 -9.335 -14.226 3.930 483 HB2 ASP 67 2HB ASP 67 -8.862 -12.721 5.833 484 HB3 ASP 67 1HB ASP 67 -10.065 -11.588 5.224 485 H SER 68 H SER 68 -11.405 -14.893 3.501 486 HA SER 68 HA SER 68 -12.680 -13.770 1.250 487 HB2 SER 68 2HB SER 68 -12.827 -16.157 1.767 488 HB3 SER 68 1HB SER 68 -13.727 -15.798 3.240 489 HG SER 68 HG SER 68 -15.051 -14.588 1.381 490 H GLU 69 H GLU 69 -13.668 -13.853 4.681 491 HA GLU 69 HA GLU 69 -16.076 -12.535 4.493 492 HB2 GLU 69 2HB GLU 69 -14.056 -12.168 6.704 493 HB3 GLU 69 1HB GLU 69 -15.786 -11.873 6.806 494 HG2 GLU 69 2HG GLU 69 -16.224 -14.241 6.449 495 HG3 GLU 69 1HG GLU 69 -14.492 -14.546 6.325 496 H VAL 70 H VAL 70 -12.844 -11.100 4.669 497 HA VAL 70 HA VAL 70 -13.814 -8.424 4.745 498 HB VAL 70 HB VAL 70 -11.084 -9.529 4.073 499 HG11 VAL 70 1HG1 VAL 70 -11.302 -7.418 2.932 500 HG12 VAL 70 2HG1 VAL 70 -10.268 -7.205 4.347 501 HG13 VAL 70 3HG1 VAL 70 -11.945 -6.657 4.388 502 HG21 VAL 70 3HG2 VAL 70 -11.939 -7.974 6.500 503 HG22 VAL 70 1HG2 VAL 70 -10.451 -8.888 6.260 504 HG23 VAL 70 2HG2 VAL 70 -11.989 -9.737 6.426 505 H LEU 71 H LEU 71 -12.271 -10.342 2.163 506 HA LEU 71 HA LEU 71 -12.573 -8.454 0.121 507 HB2 LEU 71 2HB LEU 71 -12.197 -11.413 0.197 508 HB3 LEU 71 1HB LEU 71 -12.616 -10.654 -1.328 509 HG LEU 71 HG LEU 71 -10.623 -9.382 -1.370 510 HD11 LEU 71 1HD1 LEU 71 -10.168 -10.277 1.469 511 HD12 LEU 71 2HD1 LEU 71 -10.529 -8.641 0.914 512 HD13 LEU 71 3HD1 LEU 71 -8.996 -9.399 0.485 513 HD21 LEU 71 3HD2 LEU 71 -10.299 -11.673 -2.041 514 HD22 LEU 71 1HD2 LEU 71 -10.030 -12.161 -0.366 515 HD23 LEU 71 2HD2 LEU 71 -8.866 -11.110 -1.178 516 H THR 72 H THR 72 -14.884 -10.292 1.766 517 HA THR 72 HA THR 72 -16.854 -10.185 -0.379 518 HB THR 72 HB THR 72 -17.064 -11.246 2.449 519 HG1 THR 72 1HG THR 72 -16.490 -13.109 1.590 520 HG21 THR 72 3HG2 THR 72 -19.239 -10.498 1.700 521 HG22 THR 72 1HG2 THR 72 -19.189 -12.259 1.640 522 HG23 THR 72 2HG2 THR 72 -19.031 -11.320 0.154 523 H HIS 73 H HIS 73 -16.179 -8.780 2.779 524 HA HIS 73 HA HIS 73 -18.562 -7.325 3.076 525 HB2 HIS 73 2HB HIS 73 -16.658 -7.797 4.784 526 HB3 HIS 73 1HB HIS 73 -15.925 -6.338 4.127 527 HD1 HIS 73 1HD HIS 73 -16.939 -4.103 4.810 528 HD2 HIS 73 2HD HIS 73 -19.092 -7.377 6.191 529 HE1 HIS 73 1HE HIS 73 -18.609 -3.169 6.441 530 HE2 HIS 73 2HE HIS 73 -19.959 -5.157 7.197 531 H TYR 74 H TYR 74 -15.473 -6.522 1.553 532 HA TYR 74 HA TYR 74 -16.460 -3.899 0.769 533 HB2 TYR 74 2HB TYR 74 -13.809 -5.286 0.366 534 HB3 TYR 74 1HB TYR 74 -14.178 -3.704 -0.311 535 HD1 TYR 74 2HD TYR 74 -13.489 -5.585 2.755 536 HD2 TYR 74 1HD TYR 74 -14.333 -1.749 1.120 537 HE1 TYR 74 2HE TYR 74 -12.779 -4.536 4.863 538 HE2 TYR 74 1HE TYR 74 -13.626 -0.690 3.225 539 HH TYR 74 HH TYR 74 -13.383 -1.267 5.585 540 H ASN 75 H ASN 75 -17.278 -6.726 -0.261 541 HA ASN 75 HA ASN 75 -18.070 -7.621 -2.194 542 HB2 ASN 75 2HB ASN 75 -18.002 -4.720 -3.040 543 HB3 ASN 75 1HB ASN 75 -18.821 -6.005 -3.928 544 HD21 ASN 75 1HD2 ASN 75 -18.841 -4.004 -1.101 545 HD22 ASN 75 2HD2 ASN 75 -20.452 -4.372 -0.597 546 H ILE 76 H ILE 76 -15.120 -7.216 -1.817 547 HA ILE 76 HA ILE 76 -13.862 -6.624 -4.256 548 HB ILE 76 HB ILE 76 -12.899 -8.589 -2.172 549 HG12 ILE 76 2HG1 ILE 76 -13.476 -6.487 -1.101 550 HG13 ILE 76 1HG1 ILE 76 -11.730 -6.660 -1.169 551 HG21 ILE 76 1HG2 ILE 76 -11.578 -8.774 -4.127 552 HG22 ILE 76 2HG2 ILE 76 -10.653 -7.806 -2.979 553 HG23 ILE 76 3HG2 ILE 76 -11.494 -7.025 -4.317 554 HD11 ILE 76 3HD1 ILE 76 -13.345 -5.012 -3.100 555 HD12 ILE 76 1HD1 ILE 76 -11.587 -5.093 -2.977 556 HD13 ILE 76 2HD1 ILE 76 -12.530 -4.376 -1.671 557 H THR 77 H THR 77 -13.974 -7.644 -6.143 558 HA THR 77 HA THR 77 -14.206 -10.568 -6.180 559 HB THR 77 HB THR 77 -15.830 -10.412 -8.074 560 HG1 THR 77 1HG THR 77 -16.403 -8.511 -8.801 561 HG21 THR 77 3HG2 THR 77 -17.795 -9.871 -6.666 562 HG22 THR 77 1HG2 THR 77 -16.702 -9.238 -5.435 563 HG23 THR 77 2HG2 THR 77 -16.650 -10.947 -5.867 564 H GLY 78 H GLY 78 -11.813 -9.468 -6.571 565 HA2 GLY 78 2HA GLY 78 -10.801 -10.442 -8.871 566 HA3 GLY 78 1HA GLY 78 -11.369 -8.857 -9.369 567 H ASN 79 H ASN 79 -9.769 -9.978 -6.392 568 HA ASN 79 HA ASN 79 -7.987 -9.126 -5.247 569 HB2 ASN 79 2HB ASN 79 -6.865 -8.829 -8.038 570 HB3 ASN 79 1HB ASN 79 -5.938 -8.944 -6.545 571 HD21 ASN 79 1HD2 ASN 79 -5.748 -10.926 -5.514 572 HD22 ASN 79 2HD2 ASN 79 -6.141 -12.414 -6.299 573 H THR 80 H THR 80 -9.951 -7.277 -5.590 574 HA THR 80 HA THR 80 -9.118 -4.831 -6.754 575 HB THR 80 HB THR 80 -11.223 -5.392 -4.655 576 HG1 THR 80 1HG THR 80 -12.570 -5.682 -6.339 577 HG21 THR 80 3HG2 THR 80 -10.826 -2.945 -6.379 578 HG22 THR 80 1HG2 THR 80 -10.621 -3.033 -4.632 579 HG23 THR 80 2HG2 THR 80 -12.219 -3.251 -5.341 580 H ILE 81 H ILE 81 -8.576 -2.882 -5.748 581 HA ILE 81 HA ILE 81 -7.359 -3.082 -3.066 582 HB ILE 81 HB ILE 81 -6.476 -1.450 -5.457 583 HG12 ILE 81 2HG1 ILE 81 -5.103 -3.613 -3.850 584 HG13 ILE 81 1HG1 ILE 81 -5.723 -3.774 -5.488 585 HG21 ILE 81 1HG2 ILE 81 -5.381 -1.368 -2.649 586 HG22 ILE 81 2HG2 ILE 81 -6.349 -0.107 -3.409 587 HG23 ILE 81 3HG2 ILE 81 -4.750 -0.490 -4.043 588 HD11 ILE 81 3HD1 ILE 81 -4.101 -2.047 -6.207 589 HD12 ILE 81 1HD1 ILE 81 -3.356 -3.517 -5.575 590 HD13 ILE 81 2HD1 ILE 81 -3.427 -2.068 -4.575 591 H CYS 82 H CYS 82 -8.419 -1.862 -1.597 592 HA CYS 82 HA CYS 82 -10.075 0.325 -2.641 593 HB2 CYS 82 2HB CYS 82 -10.378 -1.257 -0.097 594 HB3 CYS 82 1HB CYS 82 -11.415 0.084 -0.578 595 HG CYS 82 HG CYS 82 -11.731 -1.613 -3.138 596 H LEU 83 H LEU 83 -9.874 2.339 -1.994 597 HA LEU 83 HA LEU 83 -7.898 2.953 0.092 598 HB2 LEU 83 2HB LEU 83 -7.048 3.903 -1.832 599 HB3 LEU 83 1HB LEU 83 -8.630 4.262 -2.486 600 HG LEU 83 HG LEU 83 -8.875 6.178 -1.064 601 HD11 LEU 83 1HD1 LEU 83 -6.172 5.706 0.145 602 HD12 LEU 83 2HD1 LEU 83 -7.641 5.080 0.892 603 HD13 LEU 83 3HD1 LEU 83 -7.443 6.819 0.662 604 HD21 LEU 83 3HD2 LEU 83 -6.899 7.521 -1.774 605 HD22 LEU 83 1HD2 LEU 83 -7.668 6.610 -3.073 606 HD23 LEU 83 2HD2 LEU 83 -6.164 6.030 -2.359 607 H PHE 84 H PHE 84 -9.016 3.293 1.935 608 HA PHE 84 HA PHE 84 -11.530 4.785 1.831 609 HB2 PHE 84 2HB PHE 84 -11.158 2.556 3.134 610 HB3 PHE 84 1HB PHE 84 -10.373 3.584 4.327 611 HD1 PHE 84 2HD PHE 84 -11.739 5.595 5.197 612 HD2 PHE 84 1HD PHE 84 -13.447 2.255 3.186 613 HE1 PHE 84 2HE PHE 84 -13.933 6.136 6.170 614 HE2 PHE 84 1HE PHE 84 -15.644 2.790 4.154 615 HZ PHE 84 HZ PHE 84 -15.890 4.733 5.649 616 H ARG 85 H ARG 85 -11.548 6.899 2.269 617 HA ARG 85 HA ARG 85 -9.220 8.046 3.656 618 HB2 ARG 85 2HB ARG 85 -11.149 9.868 2.356 619 HB3 ARG 85 1HB ARG 85 -9.392 9.898 2.368 620 HG2 ARG 85 2HG ARG 85 -9.359 8.090 0.712 621 HG3 ARG 85 1HG ARG 85 -11.131 8.130 0.666 622 HD2 ARG 85 2HD ARG 85 -9.214 10.302 -0.163 623 HD3 ARG 85 1HD ARG 85 -10.324 9.395 -1.190 624 HE ARG 85 HE ARG 85 -11.682 10.837 0.870 625 HH11 ARG 85 1HH1 ARG 85 -10.216 11.121 -2.278 626 HH12 ARG 85 2HH1 ARG 85 -11.161 12.499 -2.736 627 HH21 ARG 85 1HH2 ARG 85 -12.929 12.653 0.275 628 HH22 ARG 85 2HH2 ARG 85 -12.701 13.371 -1.286 629 H LEU 86 H LEU 86 -10.022 7.421 5.707 630 HA LEU 86 HA LEU 86 -12.219 7.612 7.082 631 HB2 LEU 86 2HB LEU 86 -10.373 7.204 8.385 632 HB3 LEU 86 1HB LEU 86 -9.501 8.598 7.780 633 HG LEU 86 HG LEU 86 -10.982 10.067 9.123 634 HD11 LEU 86 1HD1 LEU 86 -12.381 9.078 10.861 635 HD12 LEU 86 2HD1 LEU 86 -12.005 7.465 10.255 636 HD13 LEU 86 3HD1 LEU 86 -12.924 8.590 9.255 637 HD21 LEU 86 3HD2 LEU 86 -9.494 7.926 10.633 638 HD22 LEU 86 1HD2 LEU 86 -9.996 9.481 11.299 639 HD23 LEU 86 2HD2 LEU 86 -8.820 9.421 9.986 640 H VAL 87 H VAL 87 -10.356 10.605 6.561 641 HA VAL 87 HA VAL 87 -11.922 12.461 7.734 642 HB VAL 87 HB VAL 87 -11.356 13.826 5.459 643 HG11 VAL 87 1HG1 VAL 87 -9.277 14.497 6.592 644 HG12 VAL 87 2HG1 VAL 87 -9.467 13.144 7.708 645 HG13 VAL 87 3HG1 VAL 87 -10.655 14.448 7.692 646 HG21 VAL 87 3HG2 VAL 87 -9.408 11.534 5.635 647 HG22 VAL 87 1HG2 VAL 87 -9.135 13.006 4.699 648 HG23 VAL 87 2HG2 VAL 87 -10.469 11.931 4.280 649 H ASP 88 H ASP 88 -12.291 11.832 4.244 650 HA ASP 88 HA ASP 88 -15.009 12.832 4.397 651 HB2 ASP 88 2HB ASP 88 -13.180 12.163 2.099 652 HB3 ASP 88 1HB ASP 88 -14.882 12.560 1.860 653 H ASN 89 H ASN 89 -13.873 10.091 5.247 654 HA ASN 89 HA ASN 89 -14.462 7.893 5.208 655 HB2 ASN 89 2HB ASN 89 -16.763 7.519 5.700 656 HB3 ASN 89 1HB ASN 89 -16.342 9.090 6.370 657 HD21 ASN 89 1HD2 ASN 89 -17.182 10.948 5.456 658 HD22 ASN 89 2HD2 ASN 89 -18.520 10.915 4.363 659 H GLU 90 H GLU 90 -13.816 8.962 2.567 660 HA GLU 90 HA GLU 90 -15.676 7.806 0.705 661 HB2 GLU 90 2HB GLU 90 -12.840 8.740 0.234 662 HB3 GLU 90 1HB GLU 90 -14.044 8.404 -1.004 663 HG2 GLU 90 2HG GLU 90 -14.282 10.540 1.094 664 HG3 GLU 90 1HG GLU 90 -13.735 10.802 -0.559 665 H GLN 91 H GLN 91 -15.053 6.125 -0.845 666 HA GLN 91 HA GLN 91 -12.984 4.281 0.040 667 HB2 GLN 91 2HB GLN 91 -15.058 3.624 1.252 668 HB3 GLN 91 1HB GLN 91 -15.851 3.387 -0.299 669 HG2 GLN 91 2HG GLN 91 -13.313 1.937 0.273 670 HG3 GLN 91 1HG GLN 91 -14.818 1.371 0.998 671 HE21 GLN 91 1HE2 GLN 91 -16.480 0.625 -0.359 672 HE22 GLN 91 2HE2 GLN 91 -16.165 0.123 -1.982 673 H LEU 92 H LEU 92 -11.879 4.571 -1.845 674 HA LEU 92 HA LEU 92 -13.198 4.286 -4.399 675 HB2 LEU 92 2HB LEU 92 -10.244 4.486 -3.778 676 HB3 LEU 92 1HB LEU 92 -10.979 4.639 -5.360 677 HG LEU 92 HG LEU 92 -10.454 6.830 -4.704 678 HD11 LEU 92 1HD1 LEU 92 -12.670 6.693 -5.654 679 HD12 LEU 92 2HD1 LEU 92 -12.619 7.947 -4.412 680 HD13 LEU 92 3HD1 LEU 92 -13.362 6.385 -4.061 681 HD21 LEU 92 3HD2 LEU 92 -10.190 6.140 -2.253 682 HD22 LEU 92 1HD2 LEU 92 -11.895 6.561 -2.090 683 HD23 LEU 92 2HD2 LEU 92 -10.727 7.782 -2.598 684 H ASN 93 H ASN 93 -12.971 2.504 -5.804 685 HA ASN 93 HA ASN 93 -11.711 0.149 -4.563 686 HB2 ASN 93 2HB ASN 93 -13.533 -1.159 -5.856 687 HB3 ASN 93 1HB ASN 93 -13.970 -0.355 -4.353 688 HD21 ASN 93 1HD2 ASN 93 -15.268 1.466 -4.410 689 HD22 ASN 93 2HD2 ASN 93 -16.176 1.909 -5.812 690 H LEU 94 H LEU 94 -9.832 0.240 -5.723 691 HA LEU 94 HA LEU 94 -9.793 0.345 -8.593 692 HB2 LEU 94 2HB LEU 94 -7.948 1.045 -6.899 693 HB3 LEU 94 1HB LEU 94 -7.564 -0.662 -6.829 694 HG LEU 94 HG LEU 94 -7.656 0.606 -9.513 695 HD11 LEU 94 1HD1 LEU 94 -6.450 2.267 -8.205 696 HD12 LEU 94 2HD1 LEU 94 -5.344 1.391 -9.265 697 HD13 LEU 94 3HD1 LEU 94 -5.407 1.007 -7.544 698 HD21 LEU 94 3HD2 LEU 94 -5.832 -1.406 -8.200 699 HD22 LEU 94 1HD2 LEU 94 -5.830 -0.953 -9.905 700 HD23 LEU 94 2HD2 LEU 94 -7.223 -1.784 -9.216 701 H GLU 95 H GLU 95 -11.342 -1.351 -8.943 702 HA GLU 95 HA GLU 95 -10.808 -4.029 -8.051 703 HB2 GLU 95 2HB GLU 95 -12.843 -3.102 -10.071 704 HB3 GLU 95 1HB GLU 95 -12.835 -4.627 -9.193 705 HG2 GLU 95 2HG GLU 95 -13.252 -3.513 -7.126 706 HG3 GLU 95 1HG GLU 95 -13.061 -1.932 -7.882 707 H ASP 96 H ASP 96 -11.607 -5.561 -10.160 708 HA ASP 96 HA ASP 96 -9.254 -6.221 -11.426 709 HB2 ASP 96 2HB ASP 96 -11.163 -7.734 -11.300 710 HB3 ASP 96 1HB ASP 96 -12.072 -6.708 -12.406 711 H GLU 97 H GLU 97 -11.734 -3.957 -12.492 712 HA GLU 97 HA GLU 97 -10.961 -3.596 -15.139 713 HB2 GLU 97 2HB GLU 97 -12.987 -2.601 -14.167 714 HB3 GLU 97 1HB GLU 97 -11.998 -1.527 -13.188 715 HG2 GLU 97 2HG GLU 97 -11.115 -0.514 -15.262 716 HG3 GLU 97 1HG GLU 97 -12.215 -1.533 -16.189 717 H ASP 98 H ASP 98 -9.313 -2.856 -12.275 718 HA ASP 98 HA ASP 98 -7.287 -1.340 -13.766 719 HB2 ASP 98 2HB ASP 98 -8.295 -0.825 -10.955 720 HB3 ASP 98 1HB ASP 98 -6.855 -0.071 -11.643 721 H ILE 99 H ILE 99 -7.990 -4.012 -11.793 722 HA ILE 99 HA ILE 99 -5.302 -4.282 -10.715 723 HB ILE 99 HB ILE 99 -7.751 -6.034 -10.472 724 HG12 ILE 99 2HG1 ILE 99 -7.707 -3.830 -9.278 725 HG13 ILE 99 1HG1 ILE 99 -7.903 -5.231 -8.236 726 HG21 ILE 99 1HG2 ILE 99 -6.446 -7.231 -8.707 727 HG22 ILE 99 2HG2 ILE 99 -5.003 -6.407 -9.297 728 HG23 ILE 99 3HG2 ILE 99 -5.883 -7.510 -10.355 729 HD11 ILE 99 3HD1 ILE 99 -5.385 -3.643 -8.660 730 HD12 ILE 99 1HD1 ILE 99 -5.505 -5.106 -7.682 731 HD13 ILE 99 2HD1 ILE 99 -6.404 -3.661 -7.221 732 H GLU 100 H GLU 100 -7.282 -5.621 -13.279 733 HA GLU 100 HA GLU 100 -5.877 -7.934 -13.883 734 HB2 GLU 100 2HB GLU 100 -6.805 -7.754 -16.129 735 HB3 GLU 100 1HB GLU 100 -8.016 -7.335 -14.928 736 HG2 GLU 100 2HG GLU 100 -7.606 -4.955 -15.364 737 HG3 GLU 100 1HG GLU 100 -6.430 -5.399 -16.601 738 H SER 101 H SER 101 -5.171 -4.597 -14.722 739 HA SER 101 HA SER 101 -2.532 -5.467 -15.679 740 HB2 SER 101 2HB SER 101 -4.277 -3.347 -16.961 741 HB3 SER 101 1HB SER 101 -2.609 -3.695 -17.414 742 HG SER 101 HG SER 101 -3.963 -5.979 -17.429 743 H ILE 102 H ILE 102 -3.198 -4.607 -13.089 744 HA ILE 102 HA ILE 102 -2.786 -1.872 -12.626 745 HB ILE 102 HB ILE 102 -3.710 -3.348 -10.919 746 HG12 ILE 102 2HG1 ILE 102 -2.214 -2.582 -8.998 747 HG13 ILE 102 1HG1 ILE 102 -1.147 -1.913 -10.226 748 HG21 ILE 102 1HG2 ILE 102 -0.950 -4.565 -10.923 749 HG22 ILE 102 2HG2 ILE 102 -2.488 -5.365 -11.250 750 HG23 ILE 102 3HG2 ILE 102 -2.118 -4.798 -9.622 751 HD11 ILE 102 3HD1 ILE 102 -2.871 -0.426 -10.986 752 HD12 ILE 102 1HD1 ILE 102 -2.661 -0.248 -9.244 753 HD13 ILE 102 2HD1 ILE 102 -4.031 -1.156 -9.879 754 H ASP 103 H ASP 103 -1.014 -0.671 -12.182 755 HA ASP 103 HA ASP 103 1.624 -1.943 -12.291 756 HB2 ASP 103 2HB ASP 103 0.897 0.571 -13.811 757 HB3 ASP 103 1HB ASP 103 2.478 -0.201 -13.765 758 H ALA 104 H ALA 104 3.252 -0.802 -11.110 759 HA ALA 104 HA ALA 104 2.488 0.340 -8.742 760 HB1 ALA 104 1HB ALA 104 4.737 -0.445 -9.130 761 HB2 ALA 104 2HB ALA 104 4.761 1.215 -8.536 762 HB3 ALA 104 3HB ALA 104 5.036 0.888 -10.247 763 H THR 105 H THR 105 3.054 1.932 -11.819 764 HA THR 105 HA THR 105 2.898 4.601 -10.958 765 HB THR 105 HB THR 105 2.068 3.412 -13.613 766 HG1 THR 105 1HG THR 105 4.138 3.536 -14.118 767 HG21 THR 105 3HG2 THR 105 2.556 6.261 -12.772 768 HG22 THR 105 1HG2 THR 105 1.052 5.562 -13.373 769 HG23 THR 105 2HG2 THR 105 2.440 5.730 -14.450 770 H LYS 106 H LYS 106 0.414 2.371 -12.147 771 HA LYS 106 HA LYS 106 -1.756 4.132 -12.049 772 HB2 LYS 106 2HB LYS 106 -1.736 1.128 -11.673 773 HB3 LYS 106 1HB LYS 106 -3.156 2.102 -12.034 774 HG2 LYS 106 2HG LYS 106 -2.266 2.706 -14.180 775 HG3 LYS 106 1HG LYS 106 -0.741 1.894 -13.818 776 HD2 LYS 106 2HD LYS 106 -1.989 0.420 -15.205 777 HD3 LYS 106 1HD LYS 106 -2.065 -0.237 -13.569 778 HE2 LYS 106 2HE LYS 106 -4.249 -0.367 -14.561 779 HE3 LYS 106 1HE LYS 106 -4.272 0.851 -13.287 780 HZ1 LYS 106 3HZ LYS 106 -4.048 1.389 -16.199 781 HZ2 LYS 106 1HZ LYS 106 -4.047 2.565 -14.982 782 HZ3 LYS 106 2HZ LYS 106 -5.428 1.626 -15.250 783 H LEU 107 H LEU 107 -0.939 1.575 -9.668 784 HA LEU 107 HA LEU 107 -2.808 2.186 -7.749 785 HB2 LEU 107 2HB LEU 107 -0.599 0.525 -7.892 786 HB3 LEU 107 1HB LEU 107 -0.185 1.611 -6.583 787 HG LEU 107 HG LEU 107 -2.402 -0.398 -6.736 788 HD11 LEU 107 1HD1 LEU 107 -0.472 -1.236 -5.704 789 HD12 LEU 107 2HD1 LEU 107 -1.531 -0.782 -4.371 790 HD13 LEU 107 3HD1 LEU 107 -0.184 0.265 -4.825 791 HD21 LEU 107 3HD2 LEU 107 -2.332 1.987 -4.888 792 HD22 LEU 107 1HD2 LEU 107 -3.381 0.583 -4.688 793 HD23 LEU 107 2HD2 LEU 107 -3.561 1.626 -6.099 794 H SER 108 H SER 108 0.530 3.434 -7.881 795 HA SER 108 HA SER 108 0.320 5.240 -5.763 796 HB2 SER 108 2HB SER 108 2.037 5.472 -8.242 797 HB3 SER 108 1HB SER 108 2.296 6.329 -6.722 798 HG SER 108 HG SER 108 3.495 4.640 -6.309 799 H ARG 109 H ARG 109 -0.675 5.506 -9.100 800 HA ARG 109 HA ARG 109 -1.043 8.315 -9.131 801 HB2 ARG 109 2HB ARG 109 -0.816 6.902 -11.174 802 HB3 ARG 109 1HB ARG 109 -2.392 6.213 -10.835 803 HG2 ARG 109 2HG ARG 109 -2.070 9.168 -11.157 804 HG3 ARG 109 1HG ARG 109 -2.193 8.111 -12.565 805 HD2 ARG 109 2HD ARG 109 -4.296 7.178 -11.480 806 HD3 ARG 109 1HD ARG 109 -4.207 8.552 -10.374 807 HE ARG 109 HE ARG 109 -4.061 9.658 -12.871 808 HH11 ARG 109 1HH1 ARG 109 -6.318 7.575 -11.221 809 HH12 ARG 109 2HH1 ARG 109 -7.692 8.160 -12.095 810 HH21 ARG 109 1HH2 ARG 109 -5.867 10.431 -14.027 811 HH22 ARG 109 2HH2 ARG 109 -7.436 9.783 -13.691 812 H PHE 110 H PHE 110 -3.488 5.736 -9.223 813 HA PHE 110 HA PHE 110 -5.743 7.143 -8.687 814 HB2 PHE 110 2HB PHE 110 -4.888 4.384 -7.861 815 HB3 PHE 110 1HB PHE 110 -6.439 5.023 -7.315 816 HD1 PHE 110 1HD PHE 110 -4.441 4.456 -10.403 817 HD2 PHE 110 2HD PHE 110 -8.305 4.833 -8.663 818 HE1 PHE 110 1HE PHE 110 -5.464 3.804 -12.543 819 HE2 PHE 110 2HE PHE 110 -9.335 4.181 -10.801 820 HZ PHE 110 HZ PHE 110 -7.914 3.665 -12.744 821 H ILE 111 H ILE 111 -3.419 5.937 -6.290 822 HA ILE 111 HA ILE 111 -4.747 6.903 -4.009 823 HB ILE 111 HB ILE 111 -1.789 6.483 -4.492 824 HG12 ILE 111 2HG1 ILE 111 -3.757 4.788 -2.949 825 HG13 ILE 111 1HG1 ILE 111 -3.336 4.502 -4.629 826 HG21 ILE 111 1HG2 ILE 111 -1.584 6.488 -2.035 827 HG22 ILE 111 2HG2 ILE 111 -3.270 6.989 -1.915 828 HG23 ILE 111 3HG2 ILE 111 -2.084 8.054 -2.676 829 HD11 ILE 111 3HD1 ILE 111 -2.096 3.042 -3.140 830 HD12 ILE 111 1HD1 ILE 111 -1.427 4.447 -2.310 831 HD13 ILE 111 2HD1 ILE 111 -1.016 4.140 -3.998 832 H GLU 112 H GLU 112 -2.054 8.308 -5.862 833 HA GLU 112 HA GLU 112 -1.869 10.736 -4.542 834 HB2 GLU 112 2HB GLU 112 -0.294 9.853 -6.289 835 HB3 GLU 112 1HB GLU 112 -1.481 10.305 -7.507 836 HG2 GLU 112 2HG GLU 112 -1.285 12.641 -6.836 837 HG3 GLU 112 1HG GLU 112 -0.104 12.193 -5.607 838 H ILE 113 H ILE 113 -4.320 9.531 -6.562 839 HA ILE 113 HA ILE 113 -5.357 12.130 -7.307 840 HB ILE 113 HB ILE 113 -5.797 9.357 -8.149 841 HG12 ILE 113 2HG1 ILE 113 -6.111 10.430 -10.324 842 HG13 ILE 113 1HG1 ILE 113 -6.156 12.011 -9.552 843 HG21 ILE 113 1HG2 ILE 113 -7.998 9.681 -7.267 844 HG22 ILE 113 2HG2 ILE 113 -8.064 9.770 -9.027 845 HG23 ILE 113 3HG2 ILE 113 -8.135 11.248 -8.066 846 HD11 ILE 113 3HD1 ILE 113 -4.000 11.535 -10.608 847 HD12 ILE 113 1HD1 ILE 113 -3.797 10.145 -9.542 848 HD13 ILE 113 2HD1 ILE 113 -3.851 11.775 -8.868 849 H ASN 114 H ASN 114 -6.157 9.493 -5.081 850 HA ASN 114 HA ASN 114 -8.241 11.243 -3.952 851 HB2 ASN 114 2HB ASN 114 -8.312 8.245 -4.279 852 HB3 ASN 114 1HB ASN 114 -9.442 9.143 -3.268 853 HD21 ASN 114 1HD2 ASN 114 -9.563 11.426 -5.029 854 HD22 ASN 114 2HD2 ASN 114 -10.500 10.946 -6.397 855 H SER 115 H SER 115 -5.413 10.957 -3.168 856 HA SER 115 HA SER 115 -5.474 9.555 -0.645 857 HB2 SER 115 2HB SER 115 -3.174 10.371 -0.374 858 HB3 SER 115 1HB SER 115 -3.397 9.666 -1.977 859 HG SER 115 HG SER 115 -3.892 11.994 -2.557 860 H LEU 116 H LEU 116 -7.498 11.429 -0.759 861 HA LEU 116 HA LEU 116 -6.637 13.788 0.696 862 HB2 LEU 116 2HB LEU 116 -9.399 12.937 -0.153 863 HB3 LEU 116 1HB LEU 116 -8.958 14.500 0.508 864 HG LEU 116 HG LEU 116 -8.025 13.381 -2.135 865 HD11 LEU 116 1HD1 LEU 116 -9.408 15.195 -3.082 866 HD12 LEU 116 2HD1 LEU 116 -10.018 15.539 -1.463 867 HD13 LEU 116 3HD1 LEU 116 -10.356 13.984 -2.221 868 HD21 LEU 116 3HD2 LEU 116 -6.332 14.810 -1.146 869 HD22 LEU 116 1HD2 LEU 116 -7.534 16.063 -0.841 870 HD23 LEU 116 2HD2 LEU 116 -7.106 15.635 -2.499 Start of MODEL 8 1 H GLU 1 H GLU 1 10.313 -23.518 -0.990 2 HA GLU 1 HA GLU 1 7.968 -25.109 -1.037 3 HB2 GLU 1 2HB GLU 1 7.437 -24.039 1.107 4 HB3 GLU 1 1HB GLU 1 7.595 -22.453 0.365 5 HG2 GLU 1 2HG GLU 1 5.704 -22.960 -1.103 6 HG3 GLU 1 1HG GLU 1 5.540 -24.537 -0.335 7 H VAL 2 H VAL 2 9.396 -21.948 -1.619 8 HA VAL 2 HA VAL 2 8.231 -21.997 -4.311 9 HB VAL 2 HB VAL 2 7.959 -19.506 -4.188 10 HG11 VAL 2 1HG1 VAL 2 6.042 -20.981 -4.041 11 HG12 VAL 2 2HG1 VAL 2 5.828 -19.605 -2.958 12 HG13 VAL 2 3HG1 VAL 2 6.294 -21.176 -2.307 13 HG21 VAL 2 3HG2 VAL 2 9.352 -18.952 -2.331 14 HG22 VAL 2 1HG2 VAL 2 8.455 -20.031 -1.263 15 HG23 VAL 2 2HG2 VAL 2 7.691 -18.565 -1.878 16 H GLU 3 H GLU 3 10.933 -22.445 -2.926 17 HA GLU 3 HA GLU 3 13.136 -22.096 -3.355 18 HB2 GLU 3 2HB GLU 3 12.248 -22.740 -5.639 19 HB3 GLU 3 1HB GLU 3 12.219 -21.024 -6.023 20 HG2 GLU 3 2HG GLU 3 14.650 -20.927 -5.571 21 HG3 GLU 3 1HG GLU 3 14.638 -22.672 -5.320 22 H LYS 4 H LYS 4 12.074 -20.107 -1.844 23 HA LYS 4 HA LYS 4 12.402 -17.975 -1.118 24 HB2 LYS 4 2HB LYS 4 14.816 -18.195 -2.923 25 HB3 LYS 4 1HB LYS 4 14.567 -16.926 -1.733 26 HG2 LYS 4 2HG LYS 4 14.727 -19.858 -1.075 27 HG3 LYS 4 1HG LYS 4 16.087 -18.738 -0.987 28 HD2 LYS 4 2HD LYS 4 13.508 -18.420 0.545 29 HD3 LYS 4 1HD LYS 4 14.977 -19.142 1.203 30 HE2 LYS 4 2HE LYS 4 14.676 -16.320 0.177 31 HE3 LYS 4 1HE LYS 4 14.789 -16.807 1.867 32 HZ1 LYS 4 3HZ LYS 4 16.922 -17.408 -0.098 33 HZ2 LYS 4 1HZ LYS 4 17.016 -17.453 1.590 34 HZ3 LYS 4 2HZ LYS 4 16.894 -15.968 0.790 35 H SER 5 H SER 5 10.498 -17.209 -2.159 36 HA SER 5 HA SER 5 10.373 -16.259 -4.790 37 HB2 SER 5 2HB SER 5 8.382 -15.002 -4.044 38 HB3 SER 5 1HB SER 5 8.368 -16.658 -3.440 39 HG SER 5 HG SER 5 8.962 -15.919 -1.433 40 H SER 6 H SER 6 11.251 -14.552 -5.746 41 HA SER 6 HA SER 6 12.522 -12.507 -4.081 42 HB2 SER 6 2HB SER 6 13.955 -13.575 -5.746 43 HB3 SER 6 1HB SER 6 12.835 -13.120 -7.030 44 HG SER 6 HG SER 6 14.720 -11.606 -5.703 45 H ASP 7 H ASP 7 11.112 -10.940 -3.575 46 HA ASP 7 HA ASP 7 9.430 -9.836 -5.724 47 HB2 ASP 7 2HB ASP 7 9.088 -9.671 -2.722 48 HB3 ASP 7 1HB ASP 7 8.036 -8.889 -3.899 49 H GLY 8 H GLY 8 12.171 -9.239 -3.863 50 HA2 GLY 8 2HA GLY 8 12.826 -6.830 -5.039 51 HA3 GLY 8 1HA GLY 8 11.959 -6.409 -3.571 52 HA PRO 9 HA PRO 9 16.632 -7.578 -2.939 53 HB2 PRO 9 2HB PRO 9 16.977 -4.648 -2.673 54 HB3 PRO 9 1HB PRO 9 18.011 -5.834 -3.475 55 HG2 PRO 9 2HG PRO 9 16.519 -4.132 -4.891 56 HG3 PRO 9 1HG PRO 9 16.760 -5.807 -5.423 57 HD2 PRO 9 2HD PRO 9 14.388 -4.562 -4.085 58 HD3 PRO 9 1HD PRO 9 14.443 -5.756 -5.399 59 H GLY 10 H GLY 10 14.477 -5.149 -1.552 60 HA2 GLY 10 2HA GLY 10 15.385 -6.007 1.124 61 HA3 GLY 10 1HA GLY 10 15.066 -4.318 0.756 62 H ALA 11 H ALA 11 13.360 -3.856 2.017 63 HA ALA 11 HA ALA 11 10.787 -4.770 1.294 64 HB1 ALA 11 1HB ALA 11 11.472 -6.785 2.503 65 HB2 ALA 11 2HB ALA 11 10.161 -5.950 3.337 66 HB3 ALA 11 3HB ALA 11 11.814 -5.810 3.934 67 H ALA 12 H ALA 12 12.630 -3.598 4.099 68 HA ALA 12 HA ALA 12 12.400 -1.782 5.441 69 HB1 ALA 12 1HB ALA 12 10.776 -0.514 3.256 70 HB2 ALA 12 2HB ALA 12 12.527 -0.691 3.159 71 HB3 ALA 12 3HB ALA 12 11.809 0.270 4.453 72 H GLN 13 H GLN 13 9.311 -1.240 3.813 73 HA GLN 13 HA GLN 13 7.921 -2.100 6.258 74 HB2 GLN 13 2HB GLN 13 6.378 -0.190 6.011 75 HB3 GLN 13 1HB GLN 13 8.032 0.322 6.312 76 HG2 GLN 13 2HG GLN 13 8.302 0.753 3.897 77 HG3 GLN 13 1HG GLN 13 6.607 0.327 3.661 78 HE21 GLN 13 1HE2 GLN 13 6.108 2.374 2.876 79 HE22 GLN 13 2HE2 GLN 13 6.013 3.756 3.906 80 H GLU 14 H GLU 14 5.948 -3.092 5.980 81 HA GLU 14 HA GLU 14 5.089 -3.527 3.195 82 HB2 GLU 14 2HB GLU 14 4.616 -5.828 3.673 83 HB3 GLU 14 1HB GLU 14 6.265 -5.500 4.185 84 HG2 GLU 14 2HG GLU 14 5.392 -5.212 6.510 85 HG3 GLU 14 1HG GLU 14 3.831 -5.784 5.920 86 HA PRO 15 HA PRO 15 1.018 -2.338 4.379 87 HB2 PRO 15 2HB PRO 15 -0.540 -4.120 3.009 88 HB3 PRO 15 1HB PRO 15 0.272 -2.744 2.260 89 HG2 PRO 15 2HG PRO 15 1.076 -5.617 2.325 90 HG3 PRO 15 1HG PRO 15 1.180 -4.448 0.996 91 HD2 PRO 15 2HD PRO 15 3.319 -5.147 2.502 92 HD3 PRO 15 1HD PRO 15 3.137 -3.534 1.784 93 H THR 16 H THR 16 -0.491 -2.714 5.920 94 HA THR 16 HA THR 16 -0.066 -4.677 7.860 95 HB THR 16 HB THR 16 -2.646 -3.179 7.365 96 HG1 THR 16 1HG THR 16 -0.487 -2.002 7.698 97 HG21 THR 16 3HG2 THR 16 -1.495 -4.443 9.854 98 HG22 THR 16 1HG2 THR 16 -2.884 -5.024 8.939 99 HG23 THR 16 2HG2 THR 16 -2.972 -3.480 9.786 100 H TRP 17 H TRP 17 -1.226 -6.520 8.464 101 HA TRP 17 HA TRP 17 -2.518 -7.899 6.230 102 HB2 TRP 17 2HB TRP 17 -1.409 -8.914 8.853 103 HB3 TRP 17 1HB TRP 17 -2.230 -9.932 7.676 104 HD1 TRP 17 HD TRP 17 1.073 -8.152 8.307 105 HE1 TRP 17 1HE TRP 17 2.795 -8.943 6.567 106 HE3 TRP 17 3HE TRP 17 -2.033 -10.823 5.246 107 HZ2 TRP 17 2HZ TRP 17 2.833 -10.494 4.209 108 HZ3 TRP 17 3HZ TRP 17 -1.072 -11.931 3.270 109 HH2 TRP 17 HH TRP 17 1.311 -11.768 2.764 110 H LEU 18 H LEU 18 -4.528 -6.843 6.340 111 HA LEU 18 HA LEU 18 -6.104 -6.947 8.766 112 HB2 LEU 18 2HB LEU 18 -6.959 -6.167 5.980 113 HB3 LEU 18 1HB LEU 18 -7.795 -5.802 7.479 114 HG LEU 18 HG LEU 18 -5.059 -4.752 6.765 115 HD11 LEU 18 1HD1 LEU 18 -6.206 -2.606 6.401 116 HD12 LEU 18 2HD1 LEU 18 -7.754 -3.432 6.565 117 HD13 LEU 18 3HD1 LEU 18 -6.675 -3.841 5.234 118 HD21 LEU 18 3HD2 LEU 18 -5.520 -3.177 8.625 119 HD22 LEU 18 1HD2 LEU 18 -5.374 -4.856 9.143 120 HD23 LEU 18 2HD2 LEU 18 -6.967 -4.110 9.006 121 H THR 19 H THR 19 -5.895 -9.331 8.890 122 HA THR 19 HA THR 19 -7.173 -11.004 6.974 123 HB THR 19 HB THR 19 -6.878 -12.800 8.583 124 HG1 THR 19 1HG THR 19 -6.273 -10.668 10.371 125 HG21 THR 19 3HG2 THR 19 -4.507 -10.929 8.545 126 HG22 THR 19 1HG2 THR 19 -4.923 -12.094 7.288 127 HG23 THR 19 2HG2 THR 19 -4.451 -12.656 8.892 128 H ASP 20 H ASP 20 -8.543 -8.850 9.079 129 HA ASP 20 HA ASP 20 -11.067 -10.327 9.001 130 HB2 ASP 20 2HB ASP 20 -9.874 -9.121 11.500 131 HB3 ASP 20 1HB ASP 20 -11.556 -9.626 11.361 132 H VAL 21 H VAL 21 -12.920 -9.071 8.967 133 HA VAL 21 HA VAL 21 -12.782 -6.621 7.670 134 HB VAL 21 HB VAL 21 -15.072 -7.658 9.348 135 HG11 VAL 21 1HG1 VAL 21 -14.987 -5.555 7.190 136 HG12 VAL 21 2HG1 VAL 21 -15.348 -5.306 8.899 137 HG13 VAL 21 3HG1 VAL 21 -16.462 -6.226 7.887 138 HG21 VAL 21 3HG2 VAL 21 -14.344 -9.227 7.598 139 HG22 VAL 21 1HG2 VAL 21 -14.551 -7.957 6.394 140 HG23 VAL 21 2HG2 VAL 21 -15.947 -8.568 7.278 141 HA PRO 22 HA PRO 22 -13.764 -4.510 11.989 142 HB2 PRO 22 2HB PRO 22 -12.554 -5.844 14.088 143 HB3 PRO 22 1HB PRO 22 -14.275 -5.931 13.697 144 HG2 PRO 22 2HG PRO 22 -12.071 -7.828 12.999 145 HG3 PRO 22 1HG PRO 22 -13.728 -8.178 13.531 146 HD2 PRO 22 2HD PRO 22 -13.033 -8.382 10.961 147 HD3 PRO 22 1HD PRO 22 -14.626 -7.750 11.430 148 H ALA 23 H ALA 23 -10.794 -6.479 11.813 149 HA ALA 23 HA ALA 23 -9.088 -4.492 12.855 150 HB1 ALA 23 1HB ALA 23 -7.261 -5.860 12.090 151 HB2 ALA 23 2HB ALA 23 -8.324 -6.734 10.988 152 HB3 ALA 23 3HB ALA 23 -8.524 -6.912 12.732 153 H ALA 24 H ALA 24 -10.222 -5.244 9.657 154 HA ALA 24 HA ALA 24 -8.443 -3.612 8.191 155 HB1 ALA 24 1HB ALA 24 -9.713 -5.277 7.026 156 HB2 ALA 24 2HB ALA 24 -10.218 -3.697 6.419 157 HB3 ALA 24 3HB ALA 24 -11.237 -4.569 7.566 158 H MET 25 H MET 25 -11.834 -3.053 9.107 159 HA MET 25 HA MET 25 -11.944 -0.358 8.356 160 HB2 MET 25 2HB MET 25 -13.570 -1.697 10.520 161 HB3 MET 25 1HB MET 25 -14.002 -0.253 9.616 162 HG2 MET 25 2HG MET 25 -14.038 -1.625 7.550 163 HG3 MET 25 1HG MET 25 -13.756 -3.051 8.543 164 HE1 MET 25 3HE MET 25 -17.546 -0.431 8.806 165 HE2 MET 25 1HE MET 25 -16.217 -0.131 7.687 166 HE3 MET 25 2HE MET 25 -15.980 0.093 9.420 167 H GLU 26 H GLU 26 -10.696 -1.899 11.220 168 HA GLU 26 HA GLU 26 -10.749 0.420 12.877 169 HB2 GLU 26 2HB GLU 26 -9.411 -2.248 13.033 170 HB3 GLU 26 1HB GLU 26 -8.859 -0.955 14.091 171 HG2 GLU 26 2HG GLU 26 -11.308 -0.693 14.754 172 HG3 GLU 26 1HG GLU 26 -11.554 -2.257 13.976 173 H PHE 27 H PHE 27 -8.188 -1.162 10.978 174 HA PHE 27 HA PHE 27 -6.188 0.714 11.540 175 HB2 PHE 27 2HB PHE 27 -6.598 -1.404 9.527 176 HB3 PHE 27 1HB PHE 27 -5.499 -0.114 9.043 177 HD1 PHE 27 2HD PHE 27 -6.126 -2.705 11.599 178 HD2 PHE 27 1HD PHE 27 -3.329 0.048 9.953 179 HE1 PHE 27 2HE PHE 27 -4.330 -3.743 12.922 180 HE2 PHE 27 1HE PHE 27 -1.528 -0.986 11.274 181 HZ PHE 27 HZ PHE 27 -2.029 -2.882 12.762 182 H ILE 28 H ILE 28 -8.784 0.674 9.189 183 HA ILE 28 HA ILE 28 -7.896 2.974 7.735 184 HB ILE 28 HB ILE 28 -10.537 1.539 7.900 185 HG12 ILE 28 2HG1 ILE 28 -8.761 1.988 5.504 186 HG13 ILE 28 1HG1 ILE 28 -8.517 0.637 6.610 187 HG21 ILE 28 1HG2 ILE 28 -9.917 4.023 6.312 188 HG22 ILE 28 2HG2 ILE 28 -11.100 3.867 7.609 189 HG23 ILE 28 3HG2 ILE 28 -11.344 3.014 6.088 190 HD11 ILE 28 3HD1 ILE 28 -9.866 0.228 4.487 191 HD12 ILE 28 1HD1 ILE 28 -11.160 1.117 5.288 192 HD13 ILE 28 2HD1 ILE 28 -10.533 -0.369 6.007 193 H ALA 29 H ALA 29 -10.055 2.406 10.458 194 HA ALA 29 HA ALA 29 -11.003 5.097 10.615 195 HB1 ALA 29 1HB ALA 29 -12.347 3.269 11.474 196 HB2 ALA 29 2HB ALA 29 -11.957 4.396 12.772 197 HB3 ALA 29 3HB ALA 29 -11.091 2.862 12.645 198 H ALA 30 H ALA 30 -8.157 3.499 11.598 199 HA ALA 30 HA ALA 30 -7.543 5.496 13.653 200 HB1 ALA 30 1HB ALA 30 -5.657 4.089 14.225 201 HB2 ALA 30 2HB ALA 30 -5.973 3.057 12.830 202 HB3 ALA 30 3HB ALA 30 -7.132 3.124 14.158 203 H THR 31 H THR 31 -7.648 6.111 10.757 204 HA THR 31 HA THR 31 -5.297 7.705 10.613 205 HB THR 31 HB THR 31 -4.270 5.580 9.962 206 HG1 THR 31 1HG THR 31 -3.207 7.030 8.812 207 HG21 THR 31 3HG2 THR 31 -5.021 4.225 8.252 208 HG22 THR 31 1HG2 THR 31 -5.933 5.522 7.482 209 HG23 THR 31 2HG2 THR 31 -6.535 4.776 8.961 210 H GLU 32 H GLU 32 -5.322 9.171 8.852 211 HA GLU 32 HA GLU 32 -7.901 9.953 7.993 212 HB2 GLU 32 2HB GLU 32 -5.722 11.340 8.278 213 HB3 GLU 32 1HB GLU 32 -5.374 10.833 6.630 214 HG2 GLU 32 2HG GLU 32 -7.423 11.851 5.852 215 HG3 GLU 32 1HG GLU 32 -7.850 12.294 7.505 216 H VAL 33 H VAL 33 -5.142 8.952 5.955 217 HA VAL 33 HA VAL 33 -7.084 7.923 3.998 218 HB VAL 33 HB VAL 33 -4.193 8.630 3.495 219 HG11 VAL 33 1HG1 VAL 33 -6.496 8.029 1.641 220 HG12 VAL 33 2HG1 VAL 33 -5.035 7.062 1.878 221 HG13 VAL 33 3HG1 VAL 33 -4.926 8.654 1.122 222 HG21 VAL 33 3HG2 VAL 33 -6.698 10.249 3.086 223 HG22 VAL 33 1HG2 VAL 33 -5.131 10.653 2.378 224 HG23 VAL 33 2HG2 VAL 33 -5.329 10.637 4.131 225 H ALA 34 H ALA 34 -6.996 5.824 3.332 226 HA ALA 34 HA ALA 34 -4.796 4.145 4.287 227 HB1 ALA 34 1HB ALA 34 -6.506 2.416 4.983 228 HB2 ALA 34 2HB ALA 34 -7.711 3.701 4.873 229 HB3 ALA 34 3HB ALA 34 -6.376 3.841 6.018 230 H VAL 35 H VAL 35 -4.075 2.834 2.768 231 HA VAL 35 HA VAL 35 -5.875 2.146 0.542 232 HB VAL 35 HB VAL 35 -2.902 2.630 0.542 233 HG11 VAL 35 1HG1 VAL 35 -2.928 1.932 -1.830 234 HG12 VAL 35 2HG1 VAL 35 -4.588 1.368 -1.625 235 HG13 VAL 35 3HG1 VAL 35 -3.276 0.595 -0.733 236 HG21 VAL 35 3HG2 VAL 35 -3.544 4.216 -1.245 237 HG22 VAL 35 1HG2 VAL 35 -4.298 4.581 0.310 238 HG23 VAL 35 2HG2 VAL 35 -5.237 3.794 -0.961 239 H ILE 36 H ILE 36 -6.296 0.086 0.225 240 HA ILE 36 HA ILE 36 -4.580 -1.916 1.525 241 HB ILE 36 HB ILE 36 -7.591 -1.871 1.668 242 HG12 ILE 36 2HG1 ILE 36 -5.679 -1.554 3.970 243 HG13 ILE 36 1HG1 ILE 36 -6.211 -0.163 3.035 244 HG21 ILE 36 1HG2 ILE 36 -6.774 -4.131 1.643 245 HG22 ILE 36 2HG2 ILE 36 -7.244 -3.726 3.295 246 HG23 ILE 36 3HG2 ILE 36 -5.539 -3.747 2.842 247 HD11 ILE 36 3HD1 ILE 36 -8.532 -0.714 3.601 248 HD12 ILE 36 1HD1 ILE 36 -7.533 -0.387 5.018 249 HD13 ILE 36 2HD1 ILE 36 -7.948 -2.049 4.594 250 H GLY 37 H GLY 37 -4.288 -3.788 0.467 251 HA2 GLY 37 2HA GLY 37 -5.511 -3.992 -2.192 252 HA3 GLY 37 1HA GLY 37 -4.009 -4.748 -1.703 253 H PHE 38 H PHE 38 -7.437 -5.061 -1.884 254 HA PHE 38 HA PHE 38 -7.529 -7.477 -0.275 255 HB2 PHE 38 2HB PHE 38 -9.651 -6.154 -1.986 256 HB3 PHE 38 1HB PHE 38 -9.915 -7.520 -0.910 257 HD1 PHE 38 1HD PHE 38 -8.723 -6.966 1.539 258 HD2 PHE 38 2HD PHE 38 -10.517 -4.198 -1.146 259 HE1 PHE 38 1HE PHE 38 -9.146 -5.432 3.413 260 HE2 PHE 38 2HE PHE 38 -10.949 -2.662 0.727 261 HZ PHE 38 HZ PHE 38 -10.261 -3.275 3.009 262 H PHE 39 H PHE 39 -6.228 -8.952 -1.288 263 HA PHE 39 HA PHE 39 -6.918 -9.663 -4.060 264 HB2 PHE 39 2HB PHE 39 -4.371 -10.346 -2.599 265 HB3 PHE 39 1HB PHE 39 -4.690 -10.491 -4.325 266 HD1 PHE 39 2HD PHE 39 -5.868 -7.945 -5.024 267 HD2 PHE 39 1HD PHE 39 -2.689 -8.802 -2.329 268 HE1 PHE 39 2HE PHE 39 -4.964 -5.688 -5.379 269 HE2 PHE 39 1HE PHE 39 -1.781 -6.543 -2.676 270 HZ PHE 39 HZ PHE 39 -2.919 -4.983 -4.205 271 H GLN 40 H GLN 40 -7.213 -11.783 -4.651 272 HA GLN 40 HA GLN 40 -7.873 -13.628 -2.482 273 HB2 GLN 40 2HB GLN 40 -8.355 -13.856 -5.466 274 HB3 GLN 40 1HB GLN 40 -8.948 -14.974 -4.246 275 HG2 GLN 40 2HG GLN 40 -10.259 -13.137 -3.250 276 HG3 GLN 40 1HG GLN 40 -9.718 -12.081 -4.551 277 HE21 GLN 40 1HE2 GLN 40 -9.826 -14.253 -6.523 278 HE22 GLN 40 2HE2 GLN 40 -11.502 -14.483 -6.875 279 H ASP 41 H ASP 41 -5.385 -12.820 -4.502 280 HA ASP 41 HA ASP 41 -3.903 -15.251 -3.890 281 HB2 ASP 41 2HB ASP 41 -4.907 -15.594 -6.162 282 HB3 ASP 41 1HB ASP 41 -4.074 -14.140 -6.709 283 H LEU 42 H LEU 42 -2.082 -14.541 -2.946 284 HA LEU 42 HA LEU 42 -1.204 -11.823 -3.438 285 HB2 LEU 42 2HB LEU 42 -0.177 -13.901 -1.510 286 HB3 LEU 42 1HB LEU 42 0.396 -12.243 -1.604 287 HG LEU 42 HG LEU 42 -2.419 -13.071 -0.907 288 HD11 LEU 42 1HD1 LEU 42 -0.180 -12.037 0.832 289 HD12 LEU 42 2HD1 LEU 42 -0.842 -13.672 0.846 290 HD13 LEU 42 3HD1 LEU 42 -1.844 -12.312 1.351 291 HD21 LEU 42 3HD2 LEU 42 -2.465 -10.931 -1.962 292 HD22 LEU 42 1HD2 LEU 42 -1.062 -10.383 -1.043 293 HD23 LEU 42 2HD2 LEU 42 -2.598 -10.664 -0.224 294 H GLU 43 H GLU 43 -0.909 -13.309 -5.684 295 HA GLU 43 HA GLU 43 2.010 -13.363 -5.964 296 HB2 GLU 43 2HB GLU 43 0.129 -15.434 -7.112 297 HB3 GLU 43 1HB GLU 43 1.854 -15.338 -7.429 298 HG2 GLU 43 2HG GLU 43 2.301 -15.732 -5.060 299 HG3 GLU 43 1HG GLU 43 0.568 -15.858 -4.765 300 H ILE 44 H ILE 44 -0.565 -11.757 -6.704 301 HA ILE 44 HA ILE 44 -0.228 -11.569 -9.599 302 HB ILE 44 HB ILE 44 -2.088 -9.789 -9.278 303 HG12 ILE 44 2HG1 ILE 44 -2.798 -11.343 -6.849 304 HG13 ILE 44 1HG1 ILE 44 -1.605 -10.063 -6.681 305 HG21 ILE 44 1HG2 ILE 44 -3.762 -11.449 -9.540 306 HG22 ILE 44 2HG2 ILE 44 -2.812 -12.645 -8.658 307 HG23 ILE 44 3HG2 ILE 44 -2.289 -12.106 -10.257 308 HD11 ILE 44 3HD1 ILE 44 -3.318 -8.569 -7.820 309 HD12 ILE 44 1HD1 ILE 44 -3.637 -9.070 -6.159 310 HD13 ILE 44 2HD1 ILE 44 -4.470 -9.862 -7.495 311 HA PRO 45 HA PRO 45 2.348 -7.994 -9.849 312 HB2 PRO 45 2HB PRO 45 0.076 -6.730 -11.327 313 HB3 PRO 45 1HB PRO 45 1.784 -6.810 -11.762 314 HG2 PRO 45 2HG PRO 45 0.032 -8.410 -12.943 315 HG3 PRO 45 1HG PRO 45 1.629 -9.023 -12.474 316 HD2 PRO 45 2HD PRO 45 -1.030 -9.486 -11.203 317 HD3 PRO 45 1HD PRO 45 0.366 -10.574 -11.337 318 H ALA 46 H ALA 46 -0.995 -7.573 -8.879 319 HA ALA 46 HA ALA 46 -0.854 -4.917 -7.987 320 HB1 ALA 46 1HB ALA 46 -2.926 -5.318 -6.901 321 HB2 ALA 46 2HB ALA 46 -2.631 -7.056 -6.851 322 HB3 ALA 46 3HB ALA 46 -2.927 -6.258 -8.396 323 H VAL 47 H VAL 47 -0.112 -7.960 -6.330 324 HA VAL 47 HA VAL 47 0.028 -6.903 -3.738 325 HB VAL 47 HB VAL 47 1.772 -9.189 -4.609 326 HG11 VAL 47 1HG1 VAL 47 0.267 -8.587 -2.063 327 HG12 VAL 47 2HG1 VAL 47 2.004 -8.416 -2.313 328 HG13 VAL 47 3HG1 VAL 47 1.260 -10.015 -2.357 329 HG21 VAL 47 3HG2 VAL 47 -1.165 -9.380 -3.960 330 HG22 VAL 47 1HG2 VAL 47 -0.084 -10.696 -4.418 331 HG23 VAL 47 2HG2 VAL 47 -0.502 -9.449 -5.592 332 HA PRO 48 HA PRO 48 4.842 -6.369 -4.408 333 HB2 PRO 48 2HB PRO 48 4.955 -6.115 -7.362 334 HB3 PRO 48 1HB PRO 48 6.073 -6.932 -6.261 335 HG2 PRO 48 2HG PRO 48 4.433 -8.331 -7.826 336 HG3 PRO 48 1HG PRO 48 4.777 -8.853 -6.165 337 HD2 PRO 48 2HD PRO 48 2.366 -7.453 -7.250 338 HD3 PRO 48 1HD PRO 48 2.463 -8.773 -6.073 339 H ILE 49 H ILE 49 2.740 -5.025 -6.909 340 HA ILE 49 HA ILE 49 3.869 -2.473 -7.052 341 HB ILE 49 HB ILE 49 1.239 -3.644 -7.797 342 HG12 ILE 49 2HG1 ILE 49 3.004 -1.990 -9.541 343 HG13 ILE 49 1HG1 ILE 49 3.517 -3.614 -9.099 344 HG21 ILE 49 1HG2 ILE 49 1.785 -0.731 -7.513 345 HG22 ILE 49 2HG2 ILE 49 0.328 -1.645 -7.125 346 HG23 ILE 49 3HG2 ILE 49 0.738 -1.312 -8.807 347 HD11 ILE 49 3HD1 ILE 49 1.738 -4.606 -10.214 348 HD12 ILE 49 1HD1 ILE 49 2.254 -3.307 -11.289 349 HD13 ILE 49 2HD1 ILE 49 0.819 -3.101 -10.283 350 H LEU 50 H LEU 50 1.461 -3.825 -4.871 351 HA LEU 50 HA LEU 50 0.778 -1.310 -3.687 352 HB2 LEU 50 2HB LEU 50 -0.824 -3.098 -3.576 353 HB3 LEU 50 1HB LEU 50 0.332 -4.151 -2.790 354 HG LEU 50 HG LEU 50 0.319 -2.576 -0.835 355 HD11 LEU 50 1HD1 LEU 50 -1.514 -0.998 -0.627 356 HD12 LEU 50 2HD1 LEU 50 -2.061 -1.398 -2.256 357 HD13 LEU 50 3HD1 LEU 50 -0.507 -0.599 -2.019 358 HD21 LEU 50 3HD2 LEU 50 -1.618 -3.502 0.129 359 HD22 LEU 50 1HD2 LEU 50 -1.048 -4.700 -1.036 360 HD23 LEU 50 2HD2 LEU 50 -2.424 -3.662 -1.435 361 H HIS 51 H HIS 51 2.740 -4.094 -2.623 362 HA HIS 51 HA HIS 51 3.701 -3.044 -0.248 363 HB2 HIS 51 2HB HIS 51 4.969 -4.907 -2.252 364 HB3 HIS 51 1HB HIS 51 5.794 -4.448 -0.767 365 HD1 HIS 51 1HD HIS 51 2.272 -5.712 -1.529 366 HD2 HIS 51 2HD HIS 51 5.455 -6.389 1.055 367 HE1 HIS 51 1HE HIS 51 1.527 -7.577 -0.018 368 HE2 HIS 51 2HE HIS 51 3.433 -7.908 1.595 369 H SER 52 H SER 52 4.481 -2.263 -3.527 370 HA SER 52 HA SER 52 6.900 -0.828 -2.902 371 HB2 SER 52 2HB SER 52 5.237 -0.927 -5.431 372 HB3 SER 52 1HB SER 52 6.800 -0.120 -5.287 373 HG SER 52 HG SER 52 7.028 -2.223 -6.127 374 H MET 53 H MET 53 3.570 0.042 -3.821 375 HA MET 53 HA MET 53 3.919 2.819 -3.784 376 HB2 MET 53 2HB MET 53 1.619 2.999 -3.934 377 HB3 MET 53 1HB MET 53 1.883 1.379 -4.554 378 HG2 MET 53 2HG MET 53 0.085 1.103 -3.147 379 HG3 MET 53 1HG MET 53 1.442 0.617 -2.139 380 HE1 MET 53 3HE MET 53 -1.098 1.119 -0.550 381 HE2 MET 53 1HE MET 53 -0.529 2.222 0.702 382 HE3 MET 53 2HE MET 53 0.492 0.885 0.173 383 H VAL 54 H VAL 54 3.632 0.485 -1.270 384 HA VAL 54 HA VAL 54 2.774 1.956 0.900 385 HB VAL 54 HB VAL 54 4.845 -0.224 0.766 386 HG11 VAL 54 1HG1 VAL 54 5.227 1.054 2.782 387 HG12 VAL 54 2HG1 VAL 54 4.501 -0.505 3.181 388 HG13 VAL 54 3HG1 VAL 54 3.515 0.957 3.192 389 HG21 VAL 54 3HG2 VAL 54 2.816 -1.150 0.127 390 HG22 VAL 54 1HG2 VAL 54 1.895 -0.154 1.251 391 HG23 VAL 54 2HG2 VAL 54 2.885 -1.481 1.856 392 H GLN 55 H GLN 55 6.110 1.549 -0.261 393 HA GLN 55 HA GLN 55 7.175 3.400 1.636 394 HB2 GLN 55 2HB GLN 55 8.538 2.506 -0.882 395 HB3 GLN 55 1HB GLN 55 9.259 2.989 0.648 396 HG2 GLN 55 2HG GLN 55 8.325 0.964 1.693 397 HG3 GLN 55 1HG GLN 55 7.696 0.473 0.120 398 HE21 GLN 55 1HE2 GLN 55 10.047 1.520 -1.286 399 HE22 GLN 55 2HE2 GLN 55 11.312 0.382 -0.998 400 H LYS 56 H LYS 56 5.466 3.752 -1.216 401 HA LYS 56 HA LYS 56 6.735 6.268 -1.982 402 HB2 LYS 56 2HB LYS 56 4.413 4.788 -3.232 403 HB3 LYS 56 1HB LYS 56 5.196 6.215 -3.894 404 HG2 LYS 56 2HG LYS 56 7.260 4.978 -4.184 405 HG3 LYS 56 1HG LYS 56 6.524 3.548 -3.459 406 HD2 LYS 56 2HD LYS 56 6.411 3.212 -5.793 407 HD3 LYS 56 1HD LYS 56 4.784 3.693 -5.304 408 HE2 LYS 56 2HE LYS 56 5.274 4.919 -7.265 409 HE3 LYS 56 1HE LYS 56 5.428 6.050 -5.919 410 HZ1 LYS 56 3HZ LYS 56 7.251 6.290 -7.479 411 HZ2 LYS 56 1HZ LYS 56 7.677 4.665 -7.277 412 HZ3 LYS 56 2HZ LYS 56 7.824 5.746 -5.984 413 H PHE 57 H PHE 57 4.141 5.067 -0.137 414 HA PHE 57 HA PHE 57 3.140 7.794 0.254 415 HB2 PHE 57 2HB PHE 57 1.544 5.353 -0.441 416 HB3 PHE 57 1HB PHE 57 0.817 6.683 0.457 417 HD1 PHE 57 2HD PHE 57 0.500 8.861 -0.582 418 HD2 PHE 57 1HD PHE 57 2.110 5.580 -2.762 419 HE1 PHE 57 2HE PHE 57 0.078 10.060 -2.687 420 HE2 PHE 57 1HE PHE 57 1.693 6.776 -4.873 421 HZ PHE 57 HZ PHE 57 0.675 9.017 -4.837 422 HA PRO 58 HA PRO 58 4.241 5.430 4.235 423 HB2 PRO 58 2HB PRO 58 5.297 7.781 5.315 424 HB3 PRO 58 1HB PRO 58 6.236 6.466 4.600 425 HG2 PRO 58 2HG PRO 58 5.325 9.035 3.369 426 HG3 PRO 58 1HG PRO 58 6.875 8.188 3.185 427 HD2 PRO 58 2HD PRO 58 5.045 8.061 1.263 428 HD3 PRO 58 1HD PRO 58 5.972 6.613 1.710 429 H GLY 59 H GLY 59 3.036 8.725 3.651 430 HA2 GLY 59 2HA GLY 59 1.666 9.080 6.066 431 HA3 GLY 59 1HA GLY 59 1.258 9.871 4.547 432 H VAL 60 H VAL 60 0.671 7.581 3.042 433 HA VAL 60 HA VAL 60 -2.029 7.107 3.783 434 HB VAL 60 HB VAL 60 -0.216 5.992 1.655 435 HG11 VAL 60 1HG1 VAL 60 -2.107 4.718 0.750 436 HG12 VAL 60 2HG1 VAL 60 -3.065 5.135 2.170 437 HG13 VAL 60 3HG1 VAL 60 -1.631 4.126 2.341 438 HG21 VAL 60 3HG2 VAL 60 -1.898 7.067 0.178 439 HG22 VAL 60 1HG2 VAL 60 -1.080 8.198 1.258 440 HG23 VAL 60 2HG2 VAL 60 -2.723 7.666 1.618 441 H SER 61 H SER 61 -2.993 5.242 4.614 442 HA SER 61 HA SER 61 -1.253 3.631 6.261 443 HB2 SER 61 2HB SER 61 -3.351 4.384 7.214 444 HB3 SER 61 1HB SER 61 -4.255 3.598 5.921 445 HG SER 61 HG SER 61 -2.854 2.445 8.069 446 H PHE 62 H PHE 62 -0.093 2.234 5.060 447 HA PHE 62 HA PHE 62 -1.043 0.801 2.832 448 HB2 PHE 62 2HB PHE 62 0.964 -0.745 3.438 449 HB3 PHE 62 1HB PHE 62 1.279 0.917 2.943 450 HD1 PHE 62 2HD PHE 62 1.143 -1.371 5.833 451 HD2 PHE 62 1HD PHE 62 2.234 2.501 4.439 452 HE1 PHE 62 2HE PHE 62 2.382 -0.973 7.920 453 HE2 PHE 62 1HE PHE 62 3.475 2.905 6.526 454 HZ PHE 62 HZ PHE 62 3.548 1.167 8.269 455 H GLY 63 H GLY 63 -2.234 -0.979 2.659 456 HA2 GLY 63 2HA GLY 63 -2.394 -2.844 4.904 457 HA3 GLY 63 1HA GLY 63 -3.891 -2.091 4.373 458 H ILE 64 H ILE 64 -3.497 -4.844 4.359 459 HA ILE 64 HA ILE 64 -4.139 -5.429 1.638 460 HB ILE 64 HB ILE 64 -1.507 -5.460 1.940 461 HG12 ILE 64 2HG1 ILE 64 -3.055 -7.590 0.457 462 HG13 ILE 64 1HG1 ILE 64 -2.702 -5.968 -0.127 463 HG21 ILE 64 1HG2 ILE 64 -0.637 -7.674 2.432 464 HG22 ILE 64 2HG2 ILE 64 -2.262 -8.248 2.799 465 HG23 ILE 64 3HG2 ILE 64 -1.508 -7.026 3.821 466 HD11 ILE 64 3HD1 ILE 64 -0.688 -8.133 0.439 467 HD12 ILE 64 1HD1 ILE 64 -0.310 -6.494 -0.094 468 HD13 ILE 64 2HD1 ILE 64 -1.220 -7.578 -1.148 469 H SER 65 H SER 65 -5.227 -7.395 1.432 470 HA SER 65 HA SER 65 -5.350 -9.182 3.714 471 HB2 SER 65 2HB SER 65 -6.988 -7.520 4.382 472 HB3 SER 65 1HB SER 65 -7.768 -7.613 2.804 473 HG SER 65 HG SER 65 -8.840 -8.856 4.427 474 H THR 66 H THR 66 -6.544 -11.126 3.313 475 HA THR 66 HA THR 66 -7.208 -11.668 0.511 476 HB THR 66 HB THR 66 -6.058 -13.858 0.632 477 HG1 THR 66 1HG THR 66 -5.208 -12.812 3.131 478 HG21 THR 66 3HG2 THR 66 -3.848 -13.041 0.233 479 HG22 THR 66 1HG2 THR 66 -4.161 -11.580 1.169 480 HG23 THR 66 2HG2 THR 66 -4.986 -11.836 -0.368 481 H ASP 67 H ASP 67 -8.076 -11.727 3.674 482 HA ASP 67 HA ASP 67 -9.389 -14.210 3.949 483 HB2 ASP 67 2HB ASP 67 -8.836 -12.703 5.848 484 HB3 ASP 67 1HB ASP 67 -10.069 -11.581 5.283 485 H SER 68 H SER 68 -11.441 -14.854 3.486 486 HA SER 68 HA SER 68 -12.748 -13.654 1.304 487 HB2 SER 68 2HB SER 68 -13.786 -15.714 3.266 488 HB3 SER 68 1HB SER 68 -14.530 -15.318 1.716 489 HG SER 68 HG SER 68 -11.881 -16.288 2.043 490 H GLU 69 H GLU 69 -13.627 -13.756 4.761 491 HA GLU 69 HA GLU 69 -16.043 -12.441 4.658 492 HB2 GLU 69 2HB GLU 69 -13.974 -12.017 6.809 493 HB3 GLU 69 1HB GLU 69 -15.717 -11.832 6.956 494 HG2 GLU 69 2HG GLU 69 -16.014 -14.222 6.602 495 HG3 GLU 69 1HG GLU 69 -14.272 -14.418 6.422 496 H VAL 70 H VAL 70 -12.806 -11.010 4.697 497 HA VAL 70 HA VAL 70 -13.783 -8.334 4.809 498 HB VAL 70 HB VAL 70 -11.068 -9.435 4.086 499 HG11 VAL 70 1HG1 VAL 70 -10.258 -7.098 4.329 500 HG12 VAL 70 2HG1 VAL 70 -11.939 -6.564 4.363 501 HG13 VAL 70 3HG1 VAL 70 -11.293 -7.349 2.921 502 HG21 VAL 70 3HG2 VAL 70 -10.410 -8.539 6.263 503 HG22 VAL 70 1HG2 VAL 70 -11.717 -9.712 6.424 504 HG23 VAL 70 2HG2 VAL 70 -12.059 -7.985 6.535 505 H LEU 71 H LEU 71 -12.265 -10.236 2.206 506 HA LEU 71 HA LEU 71 -12.628 -8.376 0.159 507 HB2 LEU 71 2HB LEU 71 -12.262 -11.337 0.240 508 HB3 LEU 71 1HB LEU 71 -12.701 -10.578 -1.279 509 HG LEU 71 HG LEU 71 -10.701 -9.316 -1.352 510 HD11 LEU 71 1HD1 LEU 71 -9.037 -9.382 0.489 511 HD12 LEU 71 2HD1 LEU 71 -10.235 -10.209 1.486 512 HD13 LEU 71 3HD1 LEU 71 -10.544 -8.569 0.915 513 HD21 LEU 71 3HD2 LEU 71 -8.962 -11.046 -1.229 514 HD22 LEU 71 1HD2 LEU 71 -10.429 -11.631 -2.015 515 HD23 LEU 71 2HD2 LEU 71 -10.079 -12.089 -0.346 516 H THR 72 H THR 72 -14.905 -10.194 1.869 517 HA THR 72 HA THR 72 -16.925 -10.113 -0.231 518 HB THR 72 HB THR 72 -17.057 -11.148 2.613 519 HG1 THR 72 1HG THR 72 -16.430 -12.981 1.750 520 HG21 THR 72 3HG2 THR 72 -19.202 -12.196 1.818 521 HG22 THR 72 1HG2 THR 72 -19.100 -11.171 0.388 522 HG23 THR 72 2HG2 THR 72 -19.258 -10.441 1.985 523 H HIS 73 H HIS 73 -16.246 -8.740 2.949 524 HA HIS 73 HA HIS 73 -18.595 -7.248 3.257 525 HB2 HIS 73 2HB HIS 73 -17.050 -7.656 5.105 526 HB3 HIS 73 1HB HIS 73 -15.810 -6.695 4.305 527 HD1 HIS 73 1HD HIS 73 -18.972 -6.388 6.270 528 HD2 HIS 73 2HD HIS 73 -16.136 -3.917 4.506 529 HE1 HIS 73 1HE HIS 73 -19.430 -4.086 7.172 530 HE2 HIS 73 2HE HIS 73 -17.637 -2.628 6.170 531 H TYR 74 H TYR 74 -15.602 -6.581 1.554 532 HA TYR 74 HA TYR 74 -16.534 -3.901 0.846 533 HB2 TYR 74 2HB TYR 74 -13.900 -5.309 0.395 534 HB3 TYR 74 1HB TYR 74 -14.262 -3.702 -0.222 535 HD1 TYR 74 1HD TYR 74 -14.516 -1.810 1.327 536 HD2 TYR 74 2HD TYR 74 -13.423 -5.677 2.719 537 HE1 TYR 74 1HE TYR 74 -13.780 -0.827 3.459 538 HE2 TYR 74 2HE TYR 74 -12.685 -4.707 4.856 539 HH TYR 74 HH TYR 74 -11.915 -2.522 5.714 540 H ASN 75 H ASN 75 -17.333 -6.757 -0.199 541 HA ASN 75 HA ASN 75 -18.090 -7.677 -2.130 542 HB2 ASN 75 2HB ASN 75 -18.228 -4.751 -2.816 543 HB3 ASN 75 1HB ASN 75 -18.781 -6.002 -3.924 544 HD21 ASN 75 1HD2 ASN 75 -20.614 -7.180 -3.439 545 HD22 ASN 75 2HD2 ASN 75 -21.727 -6.700 -2.209 546 H ILE 76 H ILE 76 -15.178 -7.275 -1.789 547 HA ILE 76 HA ILE 76 -13.957 -6.608 -4.240 548 HB ILE 76 HB ILE 76 -12.934 -8.558 -2.171 549 HG12 ILE 76 2HG1 ILE 76 -13.543 -6.457 -1.111 550 HG13 ILE 76 1HG1 ILE 76 -11.796 -6.615 -1.172 551 HG21 ILE 76 1HG2 ILE 76 -11.611 -7.017 -4.378 552 HG22 ILE 76 2HG2 ILE 76 -11.596 -8.754 -4.088 553 HG23 ILE 76 3HG2 ILE 76 -10.709 -7.675 -3.014 554 HD11 ILE 76 3HD1 ILE 76 -13.424 -4.988 -3.109 555 HD12 ILE 76 1HD1 ILE 76 -11.666 -5.059 -2.991 556 HD13 ILE 76 2HD1 ILE 76 -12.609 -4.343 -1.685 557 H THR 77 H THR 77 -14.000 -7.644 -6.129 558 HA THR 77 HA THR 77 -14.159 -10.565 -6.168 559 HB THR 77 HB THR 77 -15.845 -10.504 -7.990 560 HG1 THR 77 1HG THR 77 -16.916 -8.589 -8.425 561 HG21 THR 77 3HG2 THR 77 -16.729 -9.241 -5.397 562 HG22 THR 77 1HG2 THR 77 -16.553 -10.968 -5.706 563 HG23 THR 77 2HG2 THR 77 -17.784 -10.040 -6.561 564 H GLY 78 H GLY 78 -11.828 -9.436 -6.611 565 HA2 GLY 78 2HA GLY 78 -10.876 -10.332 -8.978 566 HA3 GLY 78 1HA GLY 78 -11.450 -8.723 -9.389 567 H ASN 79 H ASN 79 -9.854 -9.878 -6.427 568 HA ASN 79 HA ASN 79 -8.040 -9.077 -5.302 569 HB2 ASN 79 2HB ASN 79 -6.942 -8.765 -8.102 570 HB3 ASN 79 1HB ASN 79 -5.997 -8.877 -6.624 571 HD21 ASN 79 1HD2 ASN 79 -5.736 -10.852 -5.626 572 HD22 ASN 79 2HD2 ASN 79 -6.155 -12.345 -6.389 573 H THR 80 H THR 80 -10.013 -7.227 -5.669 574 HA THR 80 HA THR 80 -9.189 -4.769 -6.793 575 HB THR 80 HB THR 80 -11.263 -5.363 -4.672 576 HG1 THR 80 1HG THR 80 -11.536 -6.356 -6.789 577 HG21 THR 80 3HG2 THR 80 -12.283 -3.227 -5.306 578 HG22 THR 80 1HG2 THR 80 -10.928 -2.902 -6.389 579 HG23 THR 80 2HG2 THR 80 -10.662 -2.995 -4.650 580 H ILE 81 H ILE 81 -8.577 -2.844 -5.793 581 HA ILE 81 HA ILE 81 -7.366 -3.075 -3.110 582 HB ILE 81 HB ILE 81 -6.451 -1.443 -5.489 583 HG12 ILE 81 2HG1 ILE 81 -5.098 -3.624 -3.888 584 HG13 ILE 81 1HG1 ILE 81 -5.761 -3.799 -5.507 585 HG21 ILE 81 1HG2 ILE 81 -6.298 -0.124 -3.422 586 HG22 ILE 81 2HG2 ILE 81 -4.708 -0.529 -4.067 587 HG23 ILE 81 3HG2 ILE 81 -5.348 -1.412 -2.681 588 HD11 ILE 81 3HD1 ILE 81 -4.132 -2.100 -6.287 589 HD12 ILE 81 1HD1 ILE 81 -3.396 -3.578 -5.663 590 HD13 ILE 81 2HD1 ILE 81 -3.416 -2.119 -4.673 591 H CYS 82 H CYS 82 -8.480 -1.905 -1.653 592 HA CYS 82 HA CYS 82 -10.099 0.318 -2.668 593 HB2 CYS 82 2HB CYS 82 -10.356 -1.267 -0.122 594 HB3 CYS 82 1HB CYS 82 -11.391 0.085 -0.569 595 HG CYS 82 HG CYS 82 -11.271 -2.224 -2.955 596 H LEU 83 H LEU 83 -9.721 2.338 -2.145 597 HA LEU 83 HA LEU 83 -7.768 2.941 -0.038 598 HB2 LEU 83 2HB LEU 83 -6.929 3.907 -1.958 599 HB3 LEU 83 1HB LEU 83 -8.514 4.239 -2.616 600 HG LEU 83 HG LEU 83 -8.787 6.160 -1.190 601 HD11 LEU 83 1HD1 LEU 83 -7.275 6.864 0.470 602 HD12 LEU 83 2HD1 LEU 83 -6.061 5.681 -0.025 603 HD13 LEU 83 3HD1 LEU 83 -7.542 5.145 0.769 604 HD21 LEU 83 3HD2 LEU 83 -6.054 6.122 -2.454 605 HD22 LEU 83 1HD2 LEU 83 -6.948 7.568 -1.989 606 HD23 LEU 83 2HD2 LEU 83 -7.574 6.516 -3.257 607 H PHE 84 H PHE 84 -8.973 3.143 1.799 608 HA PHE 84 HA PHE 84 -11.452 4.679 1.712 609 HB2 PHE 84 2HB PHE 84 -10.941 2.406 3.011 610 HB3 PHE 84 1HB PHE 84 -10.424 3.535 4.259 611 HD1 PHE 84 2HD PHE 84 -12.121 5.442 4.825 612 HD2 PHE 84 1HD PHE 84 -13.155 1.794 2.891 613 HE1 PHE 84 2HE PHE 84 -14.463 5.741 5.517 614 HE2 PHE 84 1HE PHE 84 -15.497 2.088 3.579 615 HZ PHE 84 HZ PHE 84 -16.153 4.064 4.895 616 H ARG 85 H ARG 85 -11.507 6.761 2.213 617 HA ARG 85 HA ARG 85 -9.230 7.921 3.690 618 HB2 ARG 85 2HB ARG 85 -11.111 9.747 2.336 619 HB3 ARG 85 1HB ARG 85 -9.353 9.762 2.382 620 HG2 ARG 85 2HG ARG 85 -9.295 7.978 0.711 621 HG3 ARG 85 1HG ARG 85 -11.064 8.003 0.642 622 HD2 ARG 85 2HD ARG 85 -9.162 10.208 -0.133 623 HD3 ARG 85 1HD ARG 85 -10.225 9.284 -1.197 624 HE ARG 85 HE ARG 85 -11.708 10.649 0.806 625 HH11 ARG 85 1HH1 ARG 85 -10.009 11.120 -2.198 626 HH12 ARG 85 2HH1 ARG 85 -10.936 12.509 -2.657 627 HH21 ARG 85 1HH2 ARG 85 -12.937 12.485 0.210 628 HH22 ARG 85 2HH2 ARG 85 -12.600 13.285 -1.289 629 H LEU 86 H LEU 86 -9.911 7.573 5.754 630 HA LEU 86 HA LEU 86 -12.268 7.651 7.010 631 HB2 LEU 86 2HB LEU 86 -10.552 7.209 8.433 632 HB3 LEU 86 1HB LEU 86 -9.538 8.480 7.784 633 HG LEU 86 HG LEU 86 -10.997 10.139 8.995 634 HD11 LEU 86 1HD1 LEU 86 -12.055 7.630 10.290 635 HD12 LEU 86 2HD1 LEU 86 -12.970 8.774 9.308 636 HD13 LEU 86 3HD1 LEU 86 -12.329 9.272 10.874 637 HD21 LEU 86 3HD2 LEU 86 -8.835 9.566 9.860 638 HD22 LEU 86 1HD2 LEU 86 -9.470 8.084 10.582 639 HD23 LEU 86 2HD2 LEU 86 -9.979 9.657 11.202 640 H VAL 87 H VAL 87 -10.353 10.620 6.478 641 HA VAL 87 HA VAL 87 -11.876 12.507 7.666 642 HB VAL 87 HB VAL 87 -11.352 13.847 5.369 643 HG11 VAL 87 1HG1 VAL 87 -9.441 13.158 7.596 644 HG12 VAL 87 2HG1 VAL 87 -10.581 14.503 7.553 645 HG13 VAL 87 3HG1 VAL 87 -9.212 14.474 6.443 646 HG21 VAL 87 3HG2 VAL 87 -10.538 11.888 4.215 647 HG22 VAL 87 1HG2 VAL 87 -9.392 11.562 5.520 648 HG23 VAL 87 2HG2 VAL 87 -9.201 13.001 4.515 649 H ASP 88 H ASP 88 -12.388 11.524 4.279 650 HA ASP 88 HA ASP 88 -15.088 12.642 4.452 651 HB2 ASP 88 2HB ASP 88 -13.308 11.994 2.110 652 HB3 ASP 88 1HB ASP 88 -15.015 12.392 1.919 653 H ASN 89 H ASN 89 -13.813 9.869 5.178 654 HA ASN 89 HA ASN 89 -14.365 7.664 5.123 655 HB2 ASN 89 2HB ASN 89 -16.247 8.745 6.360 656 HB3 ASN 89 1HB ASN 89 -17.174 8.727 4.865 657 HD21 ASN 89 1HD2 ASN 89 -15.748 6.798 7.386 658 HD22 ASN 89 2HD2 ASN 89 -16.636 5.353 7.059 659 H GLU 90 H GLU 90 -13.714 8.757 2.551 660 HA GLU 90 HA GLU 90 -15.566 7.717 0.617 661 HB2 GLU 90 2HB GLU 90 -12.710 8.655 0.307 662 HB3 GLU 90 1HB GLU 90 -13.788 8.256 -1.022 663 HG2 GLU 90 2HG GLU 90 -14.276 10.422 0.999 664 HG3 GLU 90 1HG GLU 90 -13.596 10.668 -0.607 665 H GLN 91 H GLN 91 -14.999 6.060 -0.958 666 HA GLN 91 HA GLN 91 -13.036 4.095 -0.048 667 HB2 GLN 91 2HB GLN 91 -15.344 3.574 0.901 668 HB3 GLN 91 1HB GLN 91 -15.846 3.257 -0.754 669 HG2 GLN 91 2HG GLN 91 -13.410 1.850 -0.074 670 HG3 GLN 91 1HG GLN 91 -14.735 1.452 1.017 671 HE21 GLN 91 1HE2 GLN 91 -14.861 -0.644 0.214 672 HE22 GLN 91 2HE2 GLN 91 -15.539 -0.995 -1.337 673 H LEU 92 H LEU 92 -11.792 4.558 -1.850 674 HA LEU 92 HA LEU 92 -12.910 4.407 -4.508 675 HB2 LEU 92 2HB LEU 92 -10.042 4.601 -3.579 676 HB3 LEU 92 1HB LEU 92 -10.565 4.713 -5.245 677 HG LEU 92 HG LEU 92 -10.129 6.924 -4.503 678 HD11 LEU 92 1HD1 LEU 92 -12.317 8.018 -4.664 679 HD12 LEU 92 2HD1 LEU 92 -13.101 6.451 -4.454 680 HD13 LEU 92 3HD1 LEU 92 -12.104 6.754 -5.877 681 HD21 LEU 92 3HD2 LEU 92 -12.016 6.525 -2.196 682 HD22 LEU 92 1HD2 LEU 92 -10.988 7.919 -2.524 683 HD23 LEU 92 2HD2 LEU 92 -10.264 6.377 -2.066 684 H ASN 93 H ASN 93 -13.332 2.494 -5.446 685 HA ASN 93 HA ASN 93 -11.838 0.155 -4.517 686 HB2 ASN 93 2HB ASN 93 -13.680 -1.055 -5.908 687 HB3 ASN 93 1HB ASN 93 -14.087 -0.367 -4.341 688 HD21 ASN 93 1HD2 ASN 93 -15.336 1.505 -4.247 689 HD22 ASN 93 2HD2 ASN 93 -16.267 2.050 -5.597 690 H LEU 94 H LEU 94 -9.983 0.097 -5.645 691 HA LEU 94 HA LEU 94 -9.936 0.376 -8.526 692 HB2 LEU 94 2HB LEU 94 -8.089 1.046 -6.818 693 HB3 LEU 94 1HB LEU 94 -7.683 -0.659 -6.814 694 HG LEU 94 HG LEU 94 -7.828 0.674 -9.457 695 HD11 LEU 94 1HD1 LEU 94 -5.512 1.494 -9.201 696 HD12 LEU 94 2HD1 LEU 94 -5.597 1.130 -7.477 697 HD13 LEU 94 3HD1 LEU 94 -6.657 2.357 -8.173 698 HD21 LEU 94 3HD2 LEU 94 -5.898 -0.806 -9.850 699 HD22 LEU 94 1HD2 LEU 94 -7.322 -1.684 -9.293 700 HD23 LEU 94 2HD2 LEU 94 -5.999 -1.351 -8.175 701 H GLU 95 H GLU 95 -11.474 -1.326 -8.908 702 HA GLU 95 HA GLU 95 -10.906 -4.016 -8.092 703 HB2 GLU 95 2HB GLU 95 -12.949 -3.067 -10.091 704 HB3 GLU 95 1HB GLU 95 -12.925 -4.610 -9.249 705 HG2 GLU 95 2HG GLU 95 -13.377 -3.565 -7.161 706 HG3 GLU 95 1HG GLU 95 -13.173 -1.958 -7.860 707 H ASP 96 H ASP 96 -11.695 -5.502 -10.244 708 HA ASP 96 HA ASP 96 -9.333 -6.135 -11.503 709 HB2 ASP 96 2HB ASP 96 -11.246 -7.644 -11.413 710 HB3 ASP 96 1HB ASP 96 -12.137 -6.606 -12.521 711 H GLU 97 H GLU 97 -11.838 -3.897 -12.620 712 HA GLU 97 HA GLU 97 -10.958 -3.524 -15.232 713 HB2 GLU 97 2HB GLU 97 -12.024 -1.285 -15.087 714 HB3 GLU 97 1HB GLU 97 -13.050 -2.579 -14.484 715 HG2 GLU 97 2HG GLU 97 -12.390 -1.984 -12.184 716 HG3 GLU 97 1HG GLU 97 -11.458 -0.635 -12.831 717 H ASP 98 H ASP 98 -9.420 -2.773 -12.330 718 HA ASP 98 HA ASP 98 -7.408 -1.167 -13.743 719 HB2 ASP 98 2HB ASP 98 -8.458 -0.763 -10.929 720 HB3 ASP 98 1HB ASP 98 -7.029 0.042 -11.577 721 H ILE 99 H ILE 99 -8.086 -3.906 -11.858 722 HA ILE 99 HA ILE 99 -5.398 -4.169 -10.771 723 HB ILE 99 HB ILE 99 -7.839 -5.936 -10.543 724 HG12 ILE 99 2HG1 ILE 99 -7.814 -3.750 -9.315 725 HG13 ILE 99 1HG1 ILE 99 -7.985 -5.168 -8.292 726 HG21 ILE 99 1HG2 ILE 99 -5.993 -7.420 -10.438 727 HG22 ILE 99 2HG2 ILE 99 -6.505 -7.126 -8.775 728 HG23 ILE 99 3HG2 ILE 99 -5.076 -6.314 -9.415 729 HD11 ILE 99 3HD1 ILE 99 -5.582 -5.022 -7.762 730 HD12 ILE 99 1HD1 ILE 99 -6.496 -3.597 -7.266 731 HD13 ILE 99 2HD1 ILE 99 -5.492 -3.542 -8.717 732 H GLU 100 H GLU 100 -7.352 -5.395 -13.380 733 HA GLU 100 HA GLU 100 -5.983 -7.720 -14.047 734 HB2 GLU 100 2HB GLU 100 -8.108 -7.068 -15.077 735 HB3 GLU 100 1HB GLU 100 -7.314 -5.732 -15.896 736 HG2 GLU 100 2HG GLU 100 -7.661 -7.559 -17.426 737 HG3 GLU 100 1HG GLU 100 -5.936 -7.326 -17.144 738 H SER 101 H SER 101 -5.271 -4.361 -14.826 739 HA SER 101 HA SER 101 -2.631 -5.217 -15.803 740 HB2 SER 101 2HB SER 101 -2.694 -3.411 -17.478 741 HB3 SER 101 1HB SER 101 -4.005 -4.563 -17.732 742 HG SER 101 HG SER 101 -4.093 -1.907 -16.922 743 H ILE 102 H ILE 102 -3.346 -4.420 -13.172 744 HA ILE 102 HA ILE 102 -2.856 -1.717 -12.618 745 HB ILE 102 HB ILE 102 -3.837 -3.225 -10.968 746 HG12 ILE 102 2HG1 ILE 102 -2.299 -2.582 -9.012 747 HG13 ILE 102 1HG1 ILE 102 -1.266 -1.837 -10.224 748 HG21 ILE 102 1HG2 ILE 102 -2.645 -5.254 -11.373 749 HG22 ILE 102 2HG2 ILE 102 -2.325 -4.771 -9.708 750 HG23 ILE 102 3HG2 ILE 102 -1.104 -4.503 -10.954 751 HD11 ILE 102 3HD1 ILE 102 -2.631 -0.133 -9.318 752 HD12 ILE 102 1HD1 ILE 102 -4.088 -1.102 -9.522 753 HD13 ILE 102 2HD1 ILE 102 -3.243 -0.477 -10.935 754 H ASP 103 H ASP 103 -1.049 -0.574 -12.137 755 HA ASP 103 HA ASP 103 1.547 -1.928 -12.235 756 HB2 ASP 103 2HB ASP 103 0.886 0.597 -13.766 757 HB3 ASP 103 1HB ASP 103 2.471 -0.163 -13.661 758 H ALA 104 H ALA 104 3.217 -0.821 -11.063 759 HA ALA 104 HA ALA 104 2.474 0.298 -8.676 760 HB1 ALA 104 1HB ALA 104 4.705 -0.531 -9.071 761 HB2 ALA 104 2HB ALA 104 4.767 1.121 -8.456 762 HB3 ALA 104 3HB ALA 104 5.035 0.809 -10.172 763 H THR 105 H THR 105 3.076 1.923 -11.731 764 HA THR 105 HA THR 105 2.959 4.579 -10.812 765 HB THR 105 HB THR 105 2.157 3.464 -13.507 766 HG1 THR 105 1HG THR 105 4.304 3.102 -13.321 767 HG21 THR 105 3HG2 THR 105 2.588 5.794 -14.283 768 HG22 THR 105 1HG2 THR 105 2.687 6.284 -12.592 769 HG23 THR 105 2HG2 THR 105 1.179 5.630 -13.235 770 H LYS 106 H LYS 106 0.462 2.426 -12.116 771 HA LYS 106 HA LYS 106 -1.683 4.208 -12.015 772 HB2 LYS 106 2HB LYS 106 -1.694 1.200 -11.695 773 HB3 LYS 106 1HB LYS 106 -3.109 2.187 -12.036 774 HG2 LYS 106 2HG LYS 106 -2.216 2.835 -14.165 775 HG3 LYS 106 1HG LYS 106 -0.690 2.015 -13.821 776 HD2 LYS 106 2HD LYS 106 -1.948 0.580 -15.246 777 HD3 LYS 106 1HD LYS 106 -2.011 -0.119 -13.628 778 HE2 LYS 106 2HE LYS 106 -4.204 -0.211 -14.642 779 HE3 LYS 106 1HE LYS 106 -4.215 0.920 -13.289 780 HZ1 LYS 106 3HZ LYS 106 -5.390 1.805 -15.207 781 HZ2 LYS 106 1HZ LYS 106 -3.994 1.670 -16.153 782 HZ3 LYS 106 2HZ LYS 106 -4.030 2.746 -14.850 783 H LEU 107 H LEU 107 -0.944 1.607 -9.658 784 HA LEU 107 HA LEU 107 -2.826 2.233 -7.754 785 HB2 LEU 107 2HB LEU 107 -0.658 0.525 -7.894 786 HB3 LEU 107 1HB LEU 107 -0.224 1.589 -6.573 787 HG LEU 107 HG LEU 107 -2.486 -0.365 -6.754 788 HD11 LEU 107 1HD1 LEU 107 -0.305 0.251 -4.777 789 HD12 LEU 107 2HD1 LEU 107 -0.543 -1.219 -5.721 790 HD13 LEU 107 3HD1 LEU 107 -1.654 -0.826 -4.413 791 HD21 LEU 107 3HD2 LEU 107 -2.378 2.022 -4.910 792 HD22 LEU 107 1HD2 LEU 107 -3.445 0.633 -4.697 793 HD23 LEU 107 2HD2 LEU 107 -3.616 1.666 -6.117 794 H SER 108 H SER 108 0.543 3.403 -7.817 795 HA SER 108 HA SER 108 0.334 5.195 -5.689 796 HB2 SER 108 2HB SER 108 2.117 5.315 -8.129 797 HB3 SER 108 1HB SER 108 2.337 6.289 -6.675 798 HG SER 108 HG SER 108 2.829 3.591 -7.106 799 H ARG 109 H ARG 109 -0.651 5.487 -9.016 800 HA ARG 109 HA ARG 109 -0.941 8.312 -9.029 801 HB2 ARG 109 2HB ARG 109 -0.688 6.918 -11.082 802 HB3 ARG 109 1HB ARG 109 -2.290 6.267 -10.796 803 HG2 ARG 109 2HG ARG 109 -1.864 9.215 -11.083 804 HG3 ARG 109 1HG ARG 109 -2.006 8.171 -12.498 805 HD2 ARG 109 2HD ARG 109 -4.168 7.332 -11.532 806 HD3 ARG 109 1HD ARG 109 -4.037 8.606 -10.314 807 HE ARG 109 HE ARG 109 -3.783 9.853 -12.766 808 HH11 ARG 109 1HH1 ARG 109 -6.190 7.934 -11.131 809 HH12 ARG 109 2HH1 ARG 109 -7.525 8.717 -11.908 810 HH21 ARG 109 1HH2 ARG 109 -5.536 10.887 -13.793 811 HH22 ARG 109 2HH2 ARG 109 -7.154 10.391 -13.425 812 H PHE 110 H PHE 110 -3.446 5.795 -9.245 813 HA PHE 110 HA PHE 110 -5.677 7.235 -8.710 814 HB2 PHE 110 2HB PHE 110 -4.911 4.445 -7.884 815 HB3 PHE 110 1HB PHE 110 -6.474 5.122 -7.421 816 HD1 PHE 110 1HD PHE 110 -4.337 4.688 -10.451 817 HD2 PHE 110 2HD PHE 110 -8.263 4.782 -8.814 818 HE1 PHE 110 1HE PHE 110 -5.258 4.048 -12.640 819 HE2 PHE 110 2HE PHE 110 -9.193 4.141 -11.000 820 HZ PHE 110 HZ PHE 110 -7.691 3.773 -12.916 821 H ILE 111 H ILE 111 -3.354 6.015 -6.337 822 HA ILE 111 HA ILE 111 -4.727 6.929 -4.039 823 HB ILE 111 HB ILE 111 -1.777 6.429 -4.487 824 HG12 ILE 111 2HG1 ILE 111 -3.796 4.775 -2.969 825 HG13 ILE 111 1HG1 ILE 111 -3.399 4.500 -4.657 826 HG21 ILE 111 1HG2 ILE 111 -3.266 6.946 -1.918 827 HG22 ILE 111 2HG2 ILE 111 -2.052 7.991 -2.660 828 HG23 ILE 111 3HG2 ILE 111 -1.591 6.407 -2.034 829 HD11 ILE 111 3HD1 ILE 111 -2.178 2.975 -3.247 830 HD12 ILE 111 1HD1 ILE 111 -1.504 4.324 -2.333 831 HD13 ILE 111 2HD1 ILE 111 -1.065 4.100 -4.025 832 H GLU 112 H GLU 112 -1.946 8.289 -5.796 833 HA GLU 112 HA GLU 112 -1.703 10.690 -4.443 834 HB2 GLU 112 2HB GLU 112 -0.175 9.764 -6.236 835 HB3 GLU 112 1HB GLU 112 -1.336 10.345 -7.425 836 HG2 GLU 112 2HG GLU 112 0.378 11.964 -7.285 837 HG3 GLU 112 1HG GLU 112 -1.027 12.636 -6.459 838 H ILE 113 H ILE 113 -4.181 9.595 -6.489 839 HA ILE 113 HA ILE 113 -5.159 12.237 -7.174 840 HB ILE 113 HB ILE 113 -5.664 9.480 -8.072 841 HG12 ILE 113 2HG1 ILE 113 -5.841 10.592 -10.246 842 HG13 ILE 113 1HG1 ILE 113 -5.808 12.163 -9.455 843 HG21 ILE 113 1HG2 ILE 113 -7.863 9.960 -9.003 844 HG22 ILE 113 2HG2 ILE 113 -7.895 11.496 -8.135 845 HG23 ILE 113 3HG2 ILE 113 -7.874 9.976 -7.242 846 HD11 ILE 113 3HD1 ILE 113 -3.651 11.543 -10.445 847 HD12 ILE 113 1HD1 ILE 113 -3.582 10.141 -9.378 848 HD13 ILE 113 2HD1 ILE 113 -3.549 11.767 -8.697 849 H ASN 114 H ASN 114 -6.096 9.498 -5.112 850 HA ASN 114 HA ASN 114 -8.209 11.212 -3.978 851 HB2 ASN 114 2HB ASN 114 -8.112 8.193 -4.006 852 HB3 ASN 114 1HB ASN 114 -9.397 9.181 -3.317 853 HD21 ASN 114 1HD2 ASN 114 -8.110 7.746 -6.126 854 HD22 ASN 114 2HD2 ASN 114 -9.307 8.302 -7.241 855 H SER 115 H SER 115 -5.324 11.001 -3.206 856 HA SER 115 HA SER 115 -5.361 9.706 -0.632 857 HB2 SER 115 2HB SER 115 -3.078 10.627 -0.392 858 HB3 SER 115 1HB SER 115 -3.287 9.776 -1.924 859 HG SER 115 HG SER 115 -2.277 11.700 -2.368 860 H LEU 116 H LEU 116 -7.438 11.298 -0.524 861 HA LEU 116 HA LEU 116 -6.635 13.780 0.805 862 HB2 LEU 116 2HB LEU 116 -9.370 12.883 -0.094 863 HB3 LEU 116 1HB LEU 116 -8.958 14.462 0.554 864 HG LEU 116 HG LEU 116 -8.032 13.307 -2.077 865 HD11 LEU 116 1HD1 LEU 116 -9.361 15.096 -3.058 866 HD12 LEU 116 2HD1 LEU 116 -9.867 15.617 -1.451 867 HD13 LEU 116 3HD1 LEU 116 -10.363 14.039 -2.063 868 HD21 LEU 116 3HD2 LEU 116 -7.005 15.506 -2.456 869 HD22 LEU 116 1HD2 LEU 116 -6.269 14.661 -1.096 870 HD23 LEU 116 2HD2 LEU 116 -7.411 15.973 -0.804 Start of MODEL 9 1 H GLU 1 H GLU 1 29.502 -10.716 21.467 2 HA GLU 1 HA GLU 1 28.637 -11.421 18.862 3 HB2 GLU 1 2HB GLU 1 26.251 -11.916 19.276 4 HB3 GLU 1 1HB GLU 1 27.313 -13.165 19.911 5 HG2 GLU 1 2HG GLU 1 27.063 -12.266 22.152 6 HG3 GLU 1 1HG GLU 1 26.038 -10.973 21.533 7 H VAL 2 H VAL 2 27.512 -9.758 17.874 8 HA VAL 2 HA VAL 2 26.384 -7.611 19.447 9 HB VAL 2 HB VAL 2 28.776 -7.030 19.450 10 HG11 VAL 2 1HG1 VAL 2 29.907 -6.428 17.370 11 HG12 VAL 2 2HG1 VAL 2 28.496 -6.948 16.447 12 HG13 VAL 2 3HG1 VAL 2 29.429 -8.126 17.372 13 HG21 VAL 2 3HG2 VAL 2 27.110 -5.248 19.478 14 HG22 VAL 2 1HG2 VAL 2 27.095 -5.223 17.714 15 HG23 VAL 2 2HG2 VAL 2 28.551 -4.749 18.590 16 H GLU 3 H GLU 3 27.179 -9.044 16.365 17 HA GLU 3 HA GLU 3 25.310 -7.301 14.956 18 HB2 GLU 3 2HB GLU 3 26.105 -8.480 12.925 19 HB3 GLU 3 1HB GLU 3 27.408 -7.725 13.833 20 HG2 GLU 3 2HG GLU 3 27.958 -9.909 14.818 21 HG3 GLU 3 1HG GLU 3 26.682 -10.646 13.850 22 H LYS 4 H LYS 4 23.307 -7.883 14.397 23 HA LYS 4 HA LYS 4 22.383 -10.539 15.187 24 HB2 LYS 4 2HB LYS 4 20.972 -7.959 14.544 25 HB3 LYS 4 1HB LYS 4 20.096 -9.478 14.658 26 HG2 LYS 4 2HG LYS 4 19.920 -8.328 16.747 27 HG3 LYS 4 1HG LYS 4 20.951 -9.741 16.972 28 HD2 LYS 4 2HD LYS 4 22.935 -8.320 16.813 29 HD3 LYS 4 1HD LYS 4 21.907 -6.907 16.572 30 HE2 LYS 4 2HE LYS 4 20.947 -7.189 18.777 31 HE3 LYS 4 1HE LYS 4 21.870 -8.673 19.017 32 HZ1 LYS 4 3HZ LYS 4 22.898 -6.784 20.124 33 HZ2 LYS 4 1HZ LYS 4 23.033 -5.965 18.649 34 HZ3 LYS 4 2HZ LYS 4 23.907 -7.389 18.908 35 H SER 5 H SER 5 20.802 -11.650 13.772 36 HA SER 5 HA SER 5 21.166 -11.114 10.917 37 HB2 SER 5 2HB SER 5 21.615 -13.507 10.478 38 HB3 SER 5 1HB SER 5 22.871 -12.777 11.478 39 HG SER 5 HG SER 5 21.131 -13.672 13.173 40 H SER 6 H SER 6 19.002 -11.068 13.093 41 HA SER 6 HA SER 6 17.093 -12.999 12.051 42 HB2 SER 6 2HB SER 6 15.600 -12.139 13.826 43 HB3 SER 6 1HB SER 6 17.161 -12.650 14.467 44 HG SER 6 HG SER 6 17.620 -10.644 14.976 45 H ASP 7 H ASP 7 17.498 -9.484 12.242 46 HA ASP 7 HA ASP 7 15.830 -9.192 9.878 47 HB2 ASP 7 2HB ASP 7 14.235 -9.007 11.737 48 HB3 ASP 7 1HB ASP 7 15.217 -7.736 12.458 49 H GLY 8 H GLY 8 17.717 -8.536 8.828 50 HA2 GLY 8 2HA GLY 8 18.928 -6.029 9.797 51 HA3 GLY 8 1HA GLY 8 19.711 -7.178 8.722 52 HA PRO 9 HA PRO 9 18.265 -3.504 6.189 53 HB2 PRO 9 2HB PRO 9 20.512 -4.644 4.591 54 HB3 PRO 9 1HB PRO 9 20.116 -2.956 4.931 55 HG2 PRO 9 2HG PRO 9 22.123 -4.157 6.198 56 HG3 PRO 9 1HG PRO 9 21.058 -3.022 7.048 57 HD2 PRO 9 2HD PRO 9 21.143 -6.000 7.176 58 HD3 PRO 9 1HD PRO 9 20.771 -4.823 8.451 59 H GLY 10 H GLY 10 16.329 -4.450 5.550 60 HA2 GLY 10 2HA GLY 10 15.924 -5.243 2.998 61 HA3 GLY 10 1HA GLY 10 16.311 -6.755 3.805 62 H ALA 11 H ALA 11 14.092 -4.004 3.836 63 HA ALA 11 HA ALA 11 11.858 -5.722 4.351 64 HB1 ALA 11 1HB ALA 11 11.160 -4.693 6.461 65 HB2 ALA 11 2HB ALA 11 12.657 -3.763 6.502 66 HB3 ALA 11 3HB ALA 11 12.707 -5.522 6.627 67 H ALA 12 H ALA 12 12.660 -2.306 5.000 68 HA ALA 12 HA ALA 12 11.718 -0.364 4.285 69 HB1 ALA 12 1HB ALA 12 11.425 -0.119 1.947 70 HB2 ALA 12 2HB ALA 12 11.117 -1.842 1.735 71 HB3 ALA 12 3HB ALA 12 12.732 -1.281 2.171 72 H GLN 13 H GLN 13 10.055 -1.557 5.919 73 HA GLN 13 HA GLN 13 7.929 -1.932 6.587 74 HB2 GLN 13 2HB GLN 13 6.326 -0.187 6.020 75 HB3 GLN 13 1HB GLN 13 7.904 0.486 6.387 76 HG2 GLN 13 2HG GLN 13 8.319 0.722 3.957 77 HG3 GLN 13 1HG GLN 13 6.676 0.150 3.656 78 HE21 GLN 13 1HE2 GLN 13 7.481 2.154 6.390 79 HE22 GLN 13 2HE2 GLN 13 6.681 3.581 5.834 80 H GLU 14 H GLU 14 5.549 -2.190 5.867 81 HA GLU 14 HA GLU 14 5.066 -3.192 3.239 82 HB2 GLU 14 2HB GLU 14 4.801 -5.526 3.748 83 HB3 GLU 14 1HB GLU 14 6.411 -5.039 4.257 84 HG2 GLU 14 2HG GLU 14 5.561 -4.831 6.574 85 HG3 GLU 14 1HG GLU 14 4.013 -5.466 6.020 86 HA PRO 15 HA PRO 15 0.912 -2.384 4.470 87 HB2 PRO 15 2HB PRO 15 -0.528 -4.203 3.061 88 HB3 PRO 15 1HB PRO 15 0.253 -2.804 2.318 89 HG2 PRO 15 2HG PRO 15 1.166 -5.647 2.428 90 HG3 PRO 15 1HG PRO 15 1.220 -4.502 1.076 91 HD2 PRO 15 2HD PRO 15 3.381 -5.074 2.616 92 HD3 PRO 15 1HD PRO 15 3.138 -3.496 1.842 93 H THR 16 H THR 16 -0.366 -2.832 6.147 94 HA THR 16 HA THR 16 0.155 -4.955 7.901 95 HB THR 16 HB THR 16 -2.411 -3.367 7.800 96 HG1 THR 16 1HG THR 16 -0.177 -2.239 7.859 97 HG21 THR 16 3HG2 THR 16 -2.418 -5.258 9.351 98 HG22 THR 16 1HG2 THR 16 -2.403 -3.727 10.225 99 HG23 THR 16 2HG2 THR 16 -0.922 -4.672 10.082 100 H TRP 17 H TRP 17 -1.121 -6.735 8.530 101 HA TRP 17 HA TRP 17 -2.550 -7.962 6.300 102 HB2 TRP 17 2HB TRP 17 -1.546 -9.096 8.915 103 HB3 TRP 17 1HB TRP 17 -2.407 -10.031 7.699 104 HD1 TRP 17 HD TRP 17 -1.067 -9.732 5.101 105 HE1 TRP 17 1HE TRP 17 1.443 -10.131 4.692 106 HE3 TRP 17 3HE TRP 17 0.635 -9.169 9.888 107 HZ2 TRP 17 2HZ TRP 17 3.829 -10.198 6.201 108 HZ3 TRP 17 3HZ TRP 17 3.045 -9.417 10.321 109 HH2 TRP 17 HH TRP 17 4.608 -9.922 8.515 110 H LEU 18 H LEU 18 -4.591 -7.159 6.279 111 HA LEU 18 HA LEU 18 -6.145 -7.061 8.752 112 HB2 LEU 18 2HB LEU 18 -6.946 -6.251 5.957 113 HB3 LEU 18 1HB LEU 18 -7.799 -5.875 7.441 114 HG LEU 18 HG LEU 18 -5.030 -4.883 6.770 115 HD11 LEU 18 1HD1 LEU 18 -6.121 -2.704 6.440 116 HD12 LEU 18 2HD1 LEU 18 -7.693 -3.489 6.595 117 HD13 LEU 18 3HD1 LEU 18 -6.629 -3.905 5.252 118 HD21 LEU 18 3HD2 LEU 18 -5.482 -3.323 8.655 119 HD22 LEU 18 1HD2 LEU 18 -5.342 -5.014 9.137 120 HD23 LEU 18 2HD2 LEU 18 -6.931 -4.260 9.021 121 H THR 19 H THR 19 -5.945 -9.470 8.822 122 HA THR 19 HA THR 19 -7.297 -11.094 6.922 123 HB THR 19 HB THR 19 -7.022 -12.909 8.513 124 HG1 THR 19 1HG THR 19 -6.614 -10.775 10.296 125 HG21 THR 19 3HG2 THR 19 -5.072 -12.242 7.198 126 HG22 THR 19 1HG2 THR 19 -4.591 -12.827 8.790 127 HG23 THR 19 2HG2 THR 19 -4.609 -11.097 8.455 128 H ASP 20 H ASP 20 -8.581 -8.929 9.062 129 HA ASP 20 HA ASP 20 -11.134 -10.361 9.039 130 HB2 ASP 20 2HB ASP 20 -9.883 -9.106 11.486 131 HB3 ASP 20 1HB ASP 20 -11.567 -9.616 11.389 132 H VAL 21 H VAL 21 -12.960 -9.087 9.002 133 HA VAL 21 HA VAL 21 -12.796 -6.651 7.666 134 HB VAL 21 HB VAL 21 -15.118 -7.617 9.344 135 HG11 VAL 21 1HG1 VAL 21 -14.974 -5.674 7.042 136 HG12 VAL 21 2HG1 VAL 21 -15.359 -5.297 8.721 137 HG13 VAL 21 3HG1 VAL 21 -16.466 -6.278 7.760 138 HG21 VAL 21 3HG2 VAL 21 -14.510 -8.138 6.435 139 HG22 VAL 21 1HG2 VAL 21 -15.957 -8.649 7.302 140 HG23 VAL 21 2HG2 VAL 21 -14.384 -9.318 7.739 141 HA PRO 22 HA PRO 22 -13.792 -4.511 11.972 142 HB2 PRO 22 2HB PRO 22 -12.630 -5.860 14.087 143 HB3 PRO 22 1HB PRO 22 -14.347 -5.918 13.678 144 HG2 PRO 22 2HG PRO 22 -12.171 -7.857 13.013 145 HG3 PRO 22 1HG PRO 22 -13.843 -8.175 13.521 146 HD2 PRO 22 2HD PRO 22 -13.107 -8.398 10.962 147 HD3 PRO 22 1HD PRO 22 -14.697 -7.744 11.403 148 H ALA 23 H ALA 23 -10.858 -6.530 11.793 149 HA ALA 23 HA ALA 23 -9.114 -4.595 12.872 150 HB1 ALA 23 1HB ALA 23 -8.615 -7.040 12.681 151 HB2 ALA 23 2HB ALA 23 -7.318 -5.987 12.118 152 HB3 ALA 23 3HB ALA 23 -8.363 -6.795 10.950 153 H ALA 24 H ALA 24 -10.199 -5.318 9.647 154 HA ALA 24 HA ALA 24 -8.411 -3.686 8.208 155 HB1 ALA 24 1HB ALA 24 -11.222 -4.596 7.570 156 HB2 ALA 24 2HB ALA 24 -9.710 -5.337 7.044 157 HB3 ALA 24 3HB ALA 24 -10.175 -3.749 6.429 158 H MET 25 H MET 25 -11.781 -3.092 9.184 159 HA MET 25 HA MET 25 -11.874 -0.391 8.435 160 HB2 MET 25 2HB MET 25 -13.499 -1.751 10.588 161 HB3 MET 25 1HB MET 25 -13.920 -0.275 9.730 162 HG2 MET 25 2HG MET 25 -14.000 -1.585 7.625 163 HG3 MET 25 1HG MET 25 -13.728 -3.044 8.574 164 HE1 MET 25 3HE MET 25 -15.901 0.085 9.626 165 HE2 MET 25 1HE MET 25 -17.475 -0.381 8.980 166 HE3 MET 25 2HE MET 25 -16.137 -0.041 7.883 167 H GLU 26 H GLU 26 -10.629 -1.965 11.280 168 HA GLU 26 HA GLU 26 -10.662 0.328 12.970 169 HB2 GLU 26 2HB GLU 26 -9.334 -2.347 13.062 170 HB3 GLU 26 1HB GLU 26 -8.757 -1.078 14.136 171 HG2 GLU 26 2HG GLU 26 -11.131 -0.805 14.912 172 HG3 GLU 26 1HG GLU 26 -11.508 -2.273 14.008 173 H PHE 27 H PHE 27 -8.094 -1.237 11.062 174 HA PHE 27 HA PHE 27 -6.122 0.669 11.636 175 HB2 PHE 27 2HB PHE 27 -6.471 -1.433 9.562 176 HB3 PHE 27 1HB PHE 27 -5.272 -0.180 9.252 177 HD1 PHE 27 1HD PHE 27 -3.323 0.061 10.693 178 HD2 PHE 27 2HD PHE 27 -6.150 -3.059 11.300 179 HE1 PHE 27 1HE PHE 27 -1.717 -1.109 12.145 180 HE2 PHE 27 2HE PHE 27 -4.550 -4.235 12.751 181 HZ PHE 27 HZ PHE 27 -2.330 -3.259 13.176 182 H ILE 28 H ILE 28 -8.701 0.571 9.283 183 HA ILE 28 HA ILE 28 -7.820 2.847 7.788 184 HB ILE 28 HB ILE 28 -10.456 1.410 7.996 185 HG12 ILE 28 2HG1 ILE 28 -8.700 1.859 5.581 186 HG13 ILE 28 1HG1 ILE 28 -8.465 0.501 6.683 187 HG21 ILE 28 1HG2 ILE 28 -9.873 3.884 6.376 188 HG22 ILE 28 2HG2 ILE 28 -11.023 3.742 7.703 189 HG23 ILE 28 3HG2 ILE 28 -11.305 2.872 6.198 190 HD11 ILE 28 3HD1 ILE 28 -11.059 1.047 5.273 191 HD12 ILE 28 1HD1 ILE 28 -10.579 -0.415 6.136 192 HD13 ILE 28 2HD1 ILE 28 -9.790 0.013 4.616 193 H ALA 29 H ALA 29 -9.905 2.310 10.559 194 HA ALA 29 HA ALA 29 -10.867 4.997 10.703 195 HB1 ALA 29 1HB ALA 29 -11.748 4.317 12.907 196 HB2 ALA 29 2HB ALA 29 -10.902 2.775 12.747 197 HB3 ALA 29 3HB ALA 29 -12.192 3.196 11.620 198 H ALA 30 H ALA 30 -8.018 3.381 11.701 199 HA ALA 30 HA ALA 30 -7.349 5.385 13.715 200 HB1 ALA 30 1HB ALA 30 -5.385 4.016 14.151 201 HB2 ALA 30 2HB ALA 30 -5.778 2.990 12.770 202 HB3 ALA 30 3HB ALA 30 -6.848 3.031 14.173 203 H THR 31 H THR 31 -7.597 6.084 10.857 204 HA THR 31 HA THR 31 -5.309 7.742 10.638 205 HB THR 31 HB THR 31 -4.198 5.681 9.954 206 HG1 THR 31 1HG THR 31 -4.610 7.104 7.549 207 HG21 THR 31 3HG2 THR 31 -5.829 5.458 7.487 208 HG22 THR 31 1HG2 THR 31 -6.531 4.845 8.984 209 HG23 THR 31 2HG2 THR 31 -4.991 4.212 8.410 210 H GLU 32 H GLU 32 -5.404 9.175 8.831 211 HA GLU 32 HA GLU 32 -8.045 9.857 8.035 212 HB2 GLU 32 2HB GLU 32 -6.028 11.400 8.344 213 HB3 GLU 32 1HB GLU 32 -5.512 10.866 6.750 214 HG2 GLU 32 2HG GLU 32 -7.588 11.697 5.792 215 HG3 GLU 32 1HG GLU 32 -8.121 12.216 7.392 216 H VAL 33 H VAL 33 -5.241 8.865 6.044 217 HA VAL 33 HA VAL 33 -7.150 7.872 4.032 218 HB VAL 33 HB VAL 33 -4.248 8.553 3.573 219 HG11 VAL 33 1HG1 VAL 33 -5.151 6.999 1.950 220 HG12 VAL 33 2HG1 VAL 33 -4.917 8.580 1.202 221 HG13 VAL 33 3HG1 VAL 33 -6.538 8.057 1.671 222 HG21 VAL 33 3HG2 VAL 33 -5.366 10.575 4.222 223 HG22 VAL 33 1HG2 VAL 33 -6.715 10.225 3.139 224 HG23 VAL 33 2HG2 VAL 33 -5.124 10.605 2.474 225 H ALA 34 H ALA 34 -7.036 5.774 3.340 226 HA ALA 34 HA ALA 34 -4.836 4.100 4.289 227 HB1 ALA 34 1HB ALA 34 -6.424 3.842 6.046 228 HB2 ALA 34 2HB ALA 34 -6.477 2.375 5.063 229 HB3 ALA 34 3HB ALA 34 -7.739 3.597 4.897 230 H VAL 35 H VAL 35 -4.141 2.783 2.774 231 HA VAL 35 HA VAL 35 -5.977 2.062 0.588 232 HB VAL 35 HB VAL 35 -3.004 2.559 0.507 233 HG11 VAL 35 1HG1 VAL 35 -3.123 1.866 -1.875 234 HG12 VAL 35 2HG1 VAL 35 -4.762 1.276 -1.591 235 HG13 VAL 35 3HG1 VAL 35 -3.398 0.530 -0.756 236 HG21 VAL 35 3HG2 VAL 35 -4.433 4.507 0.311 237 HG22 VAL 35 1HG2 VAL 35 -5.366 3.718 -0.961 238 HG23 VAL 35 2HG2 VAL 35 -3.678 4.154 -1.245 239 H ILE 36 H ILE 36 -6.319 -0.019 0.223 240 HA ILE 36 HA ILE 36 -4.566 -1.974 1.531 241 HB ILE 36 HB ILE 36 -7.572 -1.893 1.760 242 HG12 ILE 36 2HG1 ILE 36 -5.652 -1.909 4.054 243 HG13 ILE 36 1HG1 ILE 36 -5.936 -0.405 3.189 244 HG21 ILE 36 1HG2 ILE 36 -7.227 -3.867 3.274 245 HG22 ILE 36 2HG2 ILE 36 -5.575 -3.966 2.657 246 HG23 ILE 36 3HG2 ILE 36 -6.941 -4.182 1.561 247 HD11 ILE 36 3HD1 ILE 36 -7.355 -0.480 5.089 248 HD12 ILE 36 1HD1 ILE 36 -7.954 -2.079 4.644 249 HD13 ILE 36 2HD1 ILE 36 -8.353 -0.679 3.647 250 H GLY 37 H GLY 37 -4.223 -3.821 0.455 251 HA2 GLY 37 2HA GLY 37 -5.446 -4.050 -2.198 252 HA3 GLY 37 1HA GLY 37 -3.944 -4.801 -1.696 253 H PHE 38 H PHE 38 -7.350 -5.129 -1.941 254 HA PHE 38 HA PHE 38 -7.488 -7.528 -0.311 255 HB2 PHE 38 2HB PHE 38 -9.591 -6.329 -2.130 256 HB3 PHE 38 1HB PHE 38 -9.844 -7.542 -0.879 257 HD1 PHE 38 1HD PHE 38 -8.612 -4.063 -1.329 258 HD2 PHE 38 2HD PHE 38 -10.508 -6.879 1.232 259 HE1 PHE 38 1HE PHE 38 -9.043 -2.281 0.307 260 HE2 PHE 38 2HE PHE 38 -10.945 -5.097 2.871 261 HZ PHE 38 HZ PHE 38 -10.210 -2.796 2.411 262 H PHE 39 H PHE 39 -6.197 -9.045 -1.288 263 HA PHE 39 HA PHE 39 -6.867 -9.754 -4.068 264 HB2 PHE 39 2HB PHE 39 -4.292 -10.382 -2.637 265 HB3 PHE 39 1HB PHE 39 -4.626 -10.526 -4.361 266 HD1 PHE 39 1HD PHE 39 -5.880 -7.994 -5.015 267 HD2 PHE 39 2HD PHE 39 -2.625 -8.810 -2.400 268 HE1 PHE 39 1HE PHE 39 -5.025 -5.717 -5.375 269 HE2 PHE 39 2HE PHE 39 -1.765 -6.532 -2.753 270 HZ PHE 39 HZ PHE 39 -2.967 -4.982 -4.243 271 H GLN 40 H GLN 40 -7.324 -11.822 -4.610 272 HA GLN 40 HA GLN 40 -7.846 -13.685 -2.438 273 HB2 GLN 40 2HB GLN 40 -8.401 -13.871 -5.411 274 HB3 GLN 40 1HB GLN 40 -8.889 -15.073 -4.224 275 HG2 GLN 40 2HG GLN 40 -10.313 -13.438 -3.127 276 HG3 GLN 40 1HG GLN 40 -9.800 -12.204 -4.279 277 HE21 GLN 40 1HE2 GLN 40 -10.527 -12.312 -6.409 278 HE22 GLN 40 2HE2 GLN 40 -11.888 -13.274 -6.864 279 H ASP 41 H ASP 41 -5.316 -12.815 -4.260 280 HA ASP 41 HA ASP 41 -3.832 -15.231 -3.725 281 HB2 ASP 41 2HB ASP 41 -4.905 -15.579 -5.997 282 HB3 ASP 41 1HB ASP 41 -3.966 -14.199 -6.570 283 H LEU 42 H LEU 42 -1.907 -14.572 -2.960 284 HA LEU 42 HA LEU 42 -1.098 -11.824 -3.484 285 HB2 LEU 42 2HB LEU 42 -0.025 -13.850 -1.527 286 HB3 LEU 42 1HB LEU 42 0.557 -12.202 -1.680 287 HG LEU 42 HG LEU 42 -2.225 -13.019 -0.844 288 HD11 LEU 42 1HD1 LEU 42 -1.571 -12.103 1.331 289 HD12 LEU 42 2HD1 LEU 42 0.058 -11.822 0.720 290 HD13 LEU 42 3HD1 LEU 42 -0.556 -13.469 0.865 291 HD21 LEU 42 3HD2 LEU 42 -2.315 -10.940 -2.063 292 HD22 LEU 42 1HD2 LEU 42 -0.957 -10.297 -1.138 293 HD23 LEU 42 2HD2 LEU 42 -2.500 -10.608 -0.341 294 H GLU 43 H GLU 43 -0.836 -13.329 -5.712 295 HA GLU 43 HA GLU 43 2.079 -13.398 -6.038 296 HB2 GLU 43 2HB GLU 43 0.187 -15.437 -7.221 297 HB3 GLU 43 1HB GLU 43 1.927 -15.373 -7.463 298 HG2 GLU 43 2HG GLU 43 2.239 -15.760 -5.053 299 HG3 GLU 43 1HG GLU 43 0.493 -15.922 -4.883 300 H ILE 44 H ILE 44 -0.564 -11.839 -6.757 301 HA ILE 44 HA ILE 44 -0.264 -11.624 -9.645 302 HB ILE 44 HB ILE 44 -2.095 -9.844 -9.310 303 HG12 ILE 44 2HG1 ILE 44 -2.658 -11.289 -6.761 304 HG13 ILE 44 1HG1 ILE 44 -1.538 -9.935 -6.747 305 HG21 ILE 44 1HG2 ILE 44 -2.389 -12.154 -10.208 306 HG22 ILE 44 2HG2 ILE 44 -3.811 -11.501 -9.393 307 HG23 ILE 44 3HG2 ILE 44 -2.789 -12.682 -8.569 308 HD11 ILE 44 3HD1 ILE 44 -3.458 -8.698 -7.974 309 HD12 ILE 44 1HD1 ILE 44 -3.516 -8.924 -6.226 310 HD13 ILE 44 2HD1 ILE 44 -4.457 -9.978 -7.283 311 HA PRO 45 HA PRO 45 2.339 -8.067 -9.937 312 HB2 PRO 45 2HB PRO 45 0.078 -6.789 -11.417 313 HB3 PRO 45 1HB PRO 45 1.780 -6.912 -11.864 314 HG2 PRO 45 2HG PRO 45 -0.016 -8.487 -13.013 315 HG3 PRO 45 1HG PRO 45 1.573 -9.128 -12.548 316 HD2 PRO 45 2HD PRO 45 -1.085 -9.506 -11.237 317 HD3 PRO 45 1HD PRO 45 0.271 -10.640 -11.389 318 H ALA 46 H ALA 46 -0.984 -7.645 -8.922 319 HA ALA 46 HA ALA 46 -0.845 -4.968 -8.078 320 HB1 ALA 46 1HB ALA 46 -2.913 -6.349 -8.442 321 HB2 ALA 46 2HB ALA 46 -2.906 -5.350 -6.989 322 HB3 ALA 46 3HB ALA 46 -2.600 -7.083 -6.870 323 H VAL 47 H VAL 47 -0.076 -7.982 -6.382 324 HA VAL 47 HA VAL 47 0.086 -6.875 -3.808 325 HB VAL 47 HB VAL 47 1.867 -9.151 -4.591 326 HG11 VAL 47 1HG1 VAL 47 0.194 -8.570 -2.148 327 HG12 VAL 47 2HG1 VAL 47 1.935 -8.332 -2.293 328 HG13 VAL 47 3HG1 VAL 47 1.259 -9.959 -2.365 329 HG21 VAL 47 3HG2 VAL 47 -0.005 -10.687 -4.410 330 HG22 VAL 47 1HG2 VAL 47 -0.279 -9.541 -5.719 331 HG23 VAL 47 2HG2 VAL 47 -1.115 -9.338 -4.180 332 HA PRO 48 HA PRO 48 4.892 -6.383 -4.526 333 HB2 PRO 48 2HB PRO 48 4.984 -6.147 -7.478 334 HB3 PRO 48 1HB PRO 48 6.099 -6.971 -6.380 335 HG2 PRO 48 2HG PRO 48 4.429 -8.354 -7.932 336 HG3 PRO 48 1HG PRO 48 4.791 -8.881 -6.277 337 HD2 PRO 48 2HD PRO 48 2.375 -7.470 -7.332 338 HD3 PRO 48 1HD PRO 48 2.482 -8.782 -6.147 339 H ILE 49 H ILE 49 2.656 -5.024 -6.886 340 HA ILE 49 HA ILE 49 3.849 -2.476 -7.069 341 HB ILE 49 HB ILE 49 1.208 -3.621 -7.821 342 HG12 ILE 49 2HG1 ILE 49 2.960 -1.949 -9.554 343 HG13 ILE 49 1HG1 ILE 49 3.496 -3.569 -9.123 344 HG21 ILE 49 1HG2 ILE 49 0.316 -1.626 -7.113 345 HG22 ILE 49 2HG2 ILE 49 0.720 -1.270 -8.792 346 HG23 ILE 49 3HG2 ILE 49 1.777 -0.718 -7.493 347 HD11 ILE 49 3HD1 ILE 49 0.786 -3.082 -10.292 348 HD12 ILE 49 1HD1 ILE 49 1.721 -4.576 -10.235 349 HD13 ILE 49 2HD1 ILE 49 2.218 -3.264 -11.305 350 H LEU 50 H LEU 50 1.435 -3.843 -4.901 351 HA LEU 50 HA LEU 50 0.782 -1.335 -3.683 352 HB2 LEU 50 2HB LEU 50 -0.846 -3.098 -3.598 353 HB3 LEU 50 1HB LEU 50 0.292 -4.181 -2.830 354 HG LEU 50 HG LEU 50 0.308 -2.615 -0.854 355 HD11 LEU 50 1HD1 LEU 50 -0.531 -0.631 -2.004 356 HD12 LEU 50 2HD1 LEU 50 -1.546 -1.058 -0.625 357 HD13 LEU 50 3HD1 LEU 50 -2.080 -1.434 -2.264 358 HD21 LEU 50 3HD2 LEU 50 -2.426 -3.723 -1.455 359 HD22 LEU 50 1HD2 LEU 50 -1.631 -3.558 0.111 360 HD23 LEU 50 2HD2 LEU 50 -1.044 -4.747 -1.055 361 H HIS 51 H HIS 51 2.709 -4.154 -2.663 362 HA HIS 51 HA HIS 51 3.679 -3.116 -0.272 363 HB2 HIS 51 2HB HIS 51 4.913 -5.054 -2.235 364 HB3 HIS 51 1HB HIS 51 5.672 -4.649 -0.698 365 HD1 HIS 51 1HD HIS 51 5.334 -6.611 0.768 366 HD2 HIS 51 2HD HIS 51 1.900 -5.682 -1.380 367 HE1 HIS 51 1HE HIS 51 3.574 -8.202 1.597 368 HE2 HIS 51 2HE HIS 51 1.479 -7.556 0.352 369 H SER 52 H SER 52 4.411 -2.303 -3.525 370 HA SER 52 HA SER 52 6.916 -0.988 -2.902 371 HB2 SER 52 2HB SER 52 6.644 -2.081 -5.084 372 HB3 SER 52 1HB SER 52 5.287 -1.019 -5.457 373 HG SER 52 HG SER 52 6.728 0.302 -6.197 374 H MET 53 H MET 53 3.607 -0.067 -3.814 375 HA MET 53 HA MET 53 4.012 2.711 -3.832 376 HB2 MET 53 2HB MET 53 1.720 2.924 -4.023 377 HB3 MET 53 1HB MET 53 1.958 1.282 -4.598 378 HG2 MET 53 2HG MET 53 0.139 1.081 -3.203 379 HG3 MET 53 1HG MET 53 1.476 0.594 -2.169 380 HE1 MET 53 3HE MET 53 0.226 0.961 0.109 381 HE2 MET 53 1HE MET 53 -1.223 1.249 -0.854 382 HE3 MET 53 2HE MET 53 -0.788 2.365 0.438 383 H VAL 54 H VAL 54 3.651 0.412 -1.303 384 HA VAL 54 HA VAL 54 2.787 1.892 0.847 385 HB VAL 54 HB VAL 54 4.820 -0.318 0.707 386 HG11 VAL 54 1HG1 VAL 54 3.622 0.958 3.151 387 HG12 VAL 54 2HG1 VAL 54 5.324 0.910 2.704 388 HG13 VAL 54 3HG1 VAL 54 4.485 -0.578 3.147 389 HG21 VAL 54 3HG2 VAL 54 2.808 -1.455 1.917 390 HG22 VAL 54 1HG2 VAL 54 2.797 -1.259 0.166 391 HG23 VAL 54 2HG2 VAL 54 1.887 -0.145 1.181 392 H GLN 55 H GLN 55 6.122 1.532 -0.326 393 HA GLN 55 HA GLN 55 7.191 3.337 1.609 394 HB2 GLN 55 2HB GLN 55 8.507 2.565 -0.976 395 HB3 GLN 55 1HB GLN 55 9.258 3.018 0.548 396 HG2 GLN 55 2HG GLN 55 8.467 0.944 1.559 397 HG3 GLN 55 1HG GLN 55 7.714 0.489 0.031 398 HE21 GLN 55 1HE2 GLN 55 8.938 -1.369 -0.176 399 HE22 GLN 55 2HE2 GLN 55 10.623 -1.333 -0.562 400 H LYS 56 H LYS 56 5.510 3.717 -1.301 401 HA LYS 56 HA LYS 56 6.689 6.296 -1.964 402 HB2 LYS 56 2HB LYS 56 4.391 4.816 -3.258 403 HB3 LYS 56 1HB LYS 56 5.175 6.256 -3.886 404 HG2 LYS 56 2HG LYS 56 7.242 5.029 -4.196 405 HG3 LYS 56 1HG LYS 56 6.509 3.585 -3.497 406 HD2 LYS 56 2HD LYS 56 6.401 3.288 -5.836 407 HD3 LYS 56 1HD LYS 56 4.772 3.753 -5.341 408 HE2 LYS 56 2HE LYS 56 5.238 5.023 -7.273 409 HE3 LYS 56 1HE LYS 56 5.423 6.130 -5.913 410 HZ1 LYS 56 3HZ LYS 56 7.819 5.792 -6.021 411 HZ2 LYS 56 1HZ LYS 56 7.224 6.387 -7.488 412 HZ3 LYS 56 2HZ LYS 56 7.632 4.753 -7.341 413 H PHE 57 H PHE 57 4.139 4.983 -0.143 414 HA PHE 57 HA PHE 57 3.052 7.668 0.303 415 HB2 PHE 57 2HB PHE 57 1.530 5.188 -0.427 416 HB3 PHE 57 1HB PHE 57 0.759 6.510 0.448 417 HD1 PHE 57 1HD PHE 57 0.436 8.681 -0.621 418 HD2 PHE 57 2HD PHE 57 2.125 5.399 -2.735 419 HE1 PHE 57 1HE PHE 57 0.037 9.851 -2.748 420 HE2 PHE 57 2HE PHE 57 1.728 6.563 -4.864 421 HZ PHE 57 HZ PHE 57 0.684 8.793 -4.874 422 HA PRO 58 HA PRO 58 4.192 5.232 4.233 423 HB2 PRO 58 2HB PRO 58 5.236 7.560 5.365 424 HB3 PRO 58 1HB PRO 58 6.181 6.270 4.617 425 HG2 PRO 58 2HG PRO 58 5.262 8.866 3.457 426 HG3 PRO 58 1HG PRO 58 6.810 8.025 3.241 427 HD2 PRO 58 2HD PRO 58 4.958 7.955 1.332 428 HD3 PRO 58 1HD PRO 58 5.907 6.505 1.717 429 H GLY 59 H GLY 59 3.022 8.568 3.784 430 HA2 GLY 59 2HA GLY 59 1.639 8.847 6.188 431 HA3 GLY 59 1HA GLY 59 1.226 9.674 4.692 432 H VAL 60 H VAL 60 0.578 7.499 3.103 433 HA VAL 60 HA VAL 60 -2.103 6.998 3.855 434 HB VAL 60 HB VAL 60 -0.306 5.907 1.700 435 HG11 VAL 60 1HG1 VAL 60 -3.165 5.071 2.203 436 HG12 VAL 60 2HG1 VAL 60 -1.741 4.045 2.369 437 HG13 VAL 60 3HG1 VAL 60 -2.205 4.658 0.783 438 HG21 VAL 60 3HG2 VAL 60 -2.805 7.597 1.693 439 HG22 VAL 60 1HG2 VAL 60 -1.962 7.039 0.247 440 HG23 VAL 60 2HG2 VAL 60 -1.157 8.136 1.367 441 H SER 61 H SER 61 -3.071 5.169 4.726 442 HA SER 61 HA SER 61 -1.348 3.496 6.305 443 HB2 SER 61 2HB SER 61 -3.455 4.218 7.265 444 HB3 SER 61 1HB SER 61 -4.347 3.463 5.948 445 HG SER 61 HG SER 61 -4.391 1.822 7.266 446 H PHE 62 H PHE 62 -0.177 2.148 5.078 447 HA PHE 62 HA PHE 62 -1.162 0.737 2.829 448 HB2 PHE 62 2HB PHE 62 0.961 -0.723 3.381 449 HB3 PHE 62 1HB PHE 62 1.136 0.919 2.765 450 HD1 PHE 62 1HD PHE 62 1.384 -1.201 5.758 451 HD2 PHE 62 2HD PHE 62 2.031 2.670 4.116 452 HE1 PHE 62 1HE PHE 62 2.727 -0.594 7.728 453 HE2 PHE 62 2HE PHE 62 3.379 3.283 6.080 454 HZ PHE 62 HZ PHE 62 3.728 1.649 7.889 455 H GLY 63 H GLY 63 -2.369 -1.018 2.733 456 HA2 GLY 63 2HA GLY 63 -2.274 -2.958 4.925 457 HA3 GLY 63 1HA GLY 63 -3.832 -2.261 4.502 458 H ILE 64 H ILE 64 -3.413 -4.974 4.390 459 HA ILE 64 HA ILE 64 -4.094 -5.500 1.662 460 HB ILE 64 HB ILE 64 -1.471 -5.541 1.935 461 HG12 ILE 64 2HG1 ILE 64 -2.984 -7.700 0.464 462 HG13 ILE 64 1HG1 ILE 64 -2.720 -6.062 -0.114 463 HG21 ILE 64 1HG2 ILE 64 -1.429 -7.106 3.805 464 HG22 ILE 64 2HG2 ILE 64 -0.592 -7.765 2.401 465 HG23 ILE 64 3HG2 ILE 64 -2.211 -8.328 2.803 466 HD11 ILE 64 3HD1 ILE 64 -0.275 -6.508 -0.052 467 HD12 ILE 64 1HD1 ILE 64 -1.170 -7.503 -1.202 468 HD13 ILE 64 2HD1 ILE 64 -0.646 -8.190 0.334 469 H SER 65 H SER 65 -5.263 -7.384 1.455 470 HA SER 65 HA SER 65 -5.383 -9.206 3.727 471 HB2 SER 65 2HB SER 65 -7.038 -7.527 4.329 472 HB3 SER 65 1HB SER 65 -7.795 -7.666 2.741 473 HG SER 65 HG SER 65 -8.980 -9.113 3.700 474 H THR 66 H THR 66 -6.409 -11.188 3.300 475 HA THR 66 HA THR 66 -7.071 -11.733 0.494 476 HB THR 66 HB THR 66 -5.858 -13.882 0.612 477 HG1 THR 66 1HG THR 66 -4.636 -14.390 2.360 478 HG21 THR 66 3HG2 THR 66 -3.645 -12.997 0.307 479 HG22 THR 66 1HG2 THR 66 -4.055 -11.545 1.221 480 HG23 THR 66 2HG2 THR 66 -4.809 -11.843 -0.346 481 H ASP 67 H ASP 67 -8.111 -11.682 3.545 482 HA ASP 67 HA ASP 67 -9.346 -14.232 3.849 483 HB2 ASP 67 2HB ASP 67 -8.823 -12.708 5.748 484 HB3 ASP 67 1HB ASP 67 -10.074 -11.610 5.173 485 H SER 68 H SER 68 -11.407 -14.881 3.392 486 HA SER 68 HA SER 68 -12.704 -13.706 1.188 487 HB2 SER 68 2HB SER 68 -12.878 -16.095 1.668 488 HB3 SER 68 1HB SER 68 -13.738 -15.749 3.168 489 HG SER 68 HG SER 68 -14.608 -15.428 0.508 490 H GLU 69 H GLU 69 -13.614 -13.796 4.636 491 HA GLU 69 HA GLU 69 -16.029 -12.479 4.505 492 HB2 GLU 69 2HB GLU 69 -13.974 -12.128 6.683 493 HB3 GLU 69 1HB GLU 69 -15.708 -11.868 6.819 494 HG2 GLU 69 2HG GLU 69 -16.112 -14.232 6.437 495 HG3 GLU 69 1HG GLU 69 -14.380 -14.509 6.253 496 H VAL 70 H VAL 70 -12.796 -11.031 4.714 497 HA VAL 70 HA VAL 70 -13.771 -8.365 4.795 498 HB VAL 70 HB VAL 70 -11.047 -9.468 4.108 499 HG11 VAL 70 1HG1 VAL 70 -11.940 -6.603 4.338 500 HG12 VAL 70 2HG1 VAL 70 -11.209 -7.394 2.940 501 HG13 VAL 70 3HG1 VAL 70 -10.252 -7.114 4.396 502 HG21 VAL 70 3HG2 VAL 70 -10.403 -8.678 6.288 503 HG22 VAL 70 1HG2 VAL 70 -11.827 -9.708 6.449 504 HG23 VAL 70 2HG2 VAL 70 -11.990 -7.953 6.534 505 H LEU 71 H LEU 71 -12.295 -10.301 2.201 506 HA LEU 71 HA LEU 71 -12.574 -8.407 0.162 507 HB2 LEU 71 2HB LEU 71 -12.224 -11.362 0.258 508 HB3 LEU 71 1HB LEU 71 -12.699 -10.641 -1.268 509 HG LEU 71 HG LEU 71 -10.702 -9.337 -1.376 510 HD11 LEU 71 1HD1 LEU 71 -9.005 -9.381 0.395 511 HD12 LEU 71 2HD1 LEU 71 -10.101 -10.322 1.406 512 HD13 LEU 71 3HD1 LEU 71 -10.526 -8.674 0.941 513 HD21 LEU 71 3HD2 LEU 71 -8.974 -11.067 -1.367 514 HD22 LEU 71 1HD2 LEU 71 -10.476 -11.654 -2.083 515 HD23 LEU 71 2HD2 LEU 71 -10.039 -12.126 -0.439 516 H THR 72 H THR 72 -14.902 -10.212 1.821 517 HA THR 72 HA THR 72 -16.887 -10.075 -0.303 518 HB THR 72 HB THR 72 -17.097 -11.088 2.541 519 HG1 THR 72 1HG THR 72 -17.498 -12.995 0.763 520 HG21 THR 72 3HG2 THR 72 -19.270 -10.359 1.886 521 HG22 THR 72 1HG2 THR 72 -19.240 -12.112 1.680 522 HG23 THR 72 2HG2 THR 72 -19.089 -11.056 0.273 523 H HIS 73 H HIS 73 -16.205 -8.664 2.860 524 HA HIS 73 HA HIS 73 -18.540 -7.130 3.113 525 HB2 HIS 73 2HB HIS 73 -16.972 -7.568 4.973 526 HB3 HIS 73 1HB HIS 73 -15.772 -6.541 4.197 527 HD1 HIS 73 1HD HIS 73 -15.907 -4.076 4.664 528 HD2 HIS 73 2HD HIS 73 -19.295 -6.127 5.921 529 HE1 HIS 73 1HE HIS 73 -17.258 -2.406 5.971 530 HE2 HIS 73 2HE HIS 73 -19.350 -3.641 6.635 531 H TYR 74 H TYR 74 -15.454 -6.498 1.536 532 HA TYR 74 HA TYR 74 -16.330 -3.829 0.750 533 HB2 TYR 74 2HB TYR 74 -13.727 -5.319 0.452 534 HB3 TYR 74 1HB TYR 74 -14.022 -3.782 -0.355 535 HD1 TYR 74 2HD TYR 74 -13.974 -5.376 3.009 536 HD2 TYR 74 1HD TYR 74 -13.644 -1.771 0.773 537 HE1 TYR 74 2HE TYR 74 -13.289 -4.181 5.046 538 HE2 TYR 74 1HE TYR 74 -12.958 -0.568 2.804 539 HH TYR 74 HH TYR 74 -12.046 -2.152 5.660 540 H ASN 75 H ASN 75 -17.234 -6.640 -0.269 541 HA ASN 75 HA ASN 75 -18.005 -7.547 -2.202 542 HB2 ASN 75 2HB ASN 75 -17.962 -4.634 -2.977 543 HB3 ASN 75 1HB ASN 75 -18.656 -5.894 -3.992 544 HD21 ASN 75 1HD2 ASN 75 -20.711 -5.043 -3.875 545 HD22 ASN 75 2HD2 ASN 75 -21.670 -5.124 -2.440 546 H ILE 76 H ILE 76 -15.048 -7.122 -1.824 547 HA ILE 76 HA ILE 76 -13.772 -6.560 -4.240 548 HB ILE 76 HB ILE 76 -12.874 -8.590 -2.192 549 HG12 ILE 76 2HG1 ILE 76 -13.444 -6.463 -1.117 550 HG13 ILE 76 1HG1 ILE 76 -11.711 -6.737 -1.092 551 HG21 ILE 76 1HG2 ILE 76 -11.587 -8.694 -4.227 552 HG22 ILE 76 2HG2 ILE 76 -10.616 -7.957 -2.953 553 HG23 ILE 76 3HG2 ILE 76 -11.346 -6.950 -4.199 554 HD11 ILE 76 3HD1 ILE 76 -12.248 -4.418 -1.591 555 HD12 ILE 76 1HD1 ILE 76 -13.172 -4.927 -3.003 556 HD13 ILE 76 2HD1 ILE 76 -11.429 -5.186 -2.949 557 H THR 77 H THR 77 -13.986 -7.522 -6.152 558 HA THR 77 HA THR 77 -14.264 -10.442 -6.249 559 HB THR 77 HB THR 77 -15.911 -10.237 -8.094 560 HG1 THR 77 1HG THR 77 -15.279 -7.632 -7.868 561 HG21 THR 77 3HG2 THR 77 -16.711 -10.692 -5.850 562 HG22 THR 77 1HG2 THR 77 -17.839 -9.625 -6.683 563 HG23 THR 77 2HG2 THR 77 -16.730 -8.969 -5.479 564 H GLY 78 H GLY 78 -11.848 -9.514 -6.638 565 HA2 GLY 78 2HA GLY 78 -10.869 -10.429 -8.948 566 HA3 GLY 78 1HA GLY 78 -11.418 -8.831 -9.434 567 H ASN 79 H ASN 79 -9.848 -9.942 -6.439 568 HA ASN 79 HA ASN 79 -8.041 -9.128 -5.312 569 HB2 ASN 79 2HB ASN 79 -6.922 -8.822 -8.102 570 HB3 ASN 79 1HB ASN 79 -5.993 -8.961 -6.613 571 HD21 ASN 79 1HD2 ASN 79 -5.749 -10.948 -5.645 572 HD22 ASN 79 2HD2 ASN 79 -6.187 -12.428 -6.421 573 H THR 80 H THR 80 -9.996 -7.263 -5.652 574 HA THR 80 HA THR 80 -9.144 -4.825 -6.816 575 HB THR 80 HB THR 80 -11.247 -5.363 -4.705 576 HG1 THR 80 1HG THR 80 -12.651 -5.221 -6.545 577 HG21 THR 80 3HG2 THR 80 -12.216 -3.200 -5.384 578 HG22 THR 80 1HG2 THR 80 -10.815 -2.911 -6.415 579 HG23 THR 80 2HG2 THR 80 -10.617 -3.014 -4.666 580 H ILE 81 H ILE 81 -8.617 -2.870 -5.791 581 HA ILE 81 HA ILE 81 -7.373 -3.092 -3.124 582 HB ILE 81 HB ILE 81 -6.480 -1.481 -5.523 583 HG12 ILE 81 2HG1 ILE 81 -5.125 -3.640 -3.897 584 HG13 ILE 81 1HG1 ILE 81 -5.735 -3.802 -5.540 585 HG21 ILE 81 1HG2 ILE 81 -4.738 -0.532 -4.111 586 HG22 ILE 81 2HG2 ILE 81 -5.401 -1.372 -2.710 587 HG23 ILE 81 3HG2 ILE 81 -6.340 -0.108 -3.506 588 HD11 ILE 81 3HD1 ILE 81 -3.402 -2.172 -4.591 589 HD12 ILE 81 1HD1 ILE 81 -4.098 -2.021 -6.205 590 HD13 ILE 81 2HD1 ILE 81 -3.393 -3.554 -5.684 591 H CYS 82 H CYS 82 -8.462 -1.892 -1.662 592 HA CYS 82 HA CYS 82 -10.068 0.327 -2.712 593 HB2 CYS 82 2HB CYS 82 -10.412 -1.251 -0.173 594 HB3 CYS 82 1HB CYS 82 -11.420 0.107 -0.651 595 HG CYS 82 HG CYS 82 -13.024 -1.194 -2.193 596 H LEU 83 H LEU 83 -9.865 2.332 -2.050 597 HA LEU 83 HA LEU 83 -7.875 2.924 0.029 598 HB2 LEU 83 2HB LEU 83 -7.023 3.876 -1.891 599 HB3 LEU 83 1HB LEU 83 -8.602 4.229 -2.551 600 HG LEU 83 HG LEU 83 -8.853 6.149 -1.120 601 HD11 LEU 83 1HD1 LEU 83 -7.384 6.810 0.570 602 HD12 LEU 83 2HD1 LEU 83 -6.126 5.691 0.040 603 HD13 LEU 83 3HD1 LEU 83 -7.584 5.075 0.821 604 HD21 LEU 83 3HD2 LEU 83 -7.702 6.611 -3.142 605 HD22 LEU 83 1HD2 LEU 83 -6.180 5.997 -2.492 606 HD23 LEU 83 2HD2 LEU 83 -6.869 7.491 -1.859 607 H PHE 84 H PHE 84 -9.074 3.164 1.869 608 HA PHE 84 HA PHE 84 -11.541 4.722 1.748 609 HB2 PHE 84 2HB PHE 84 -11.240 2.482 3.039 610 HB3 PHE 84 1HB PHE 84 -10.446 3.479 4.253 611 HD1 PHE 84 1HD PHE 84 -11.768 5.498 5.151 612 HD2 PHE 84 2HD PHE 84 -13.546 2.267 3.029 613 HE1 PHE 84 1HE PHE 84 -13.961 6.092 6.092 614 HE2 PHE 84 2HE PHE 84 -15.745 2.857 3.966 615 HZ PHE 84 HZ PHE 84 -15.953 4.772 5.499 616 H ARG 85 H ARG 85 -11.610 6.802 2.295 617 HA ARG 85 HA ARG 85 -9.270 7.933 3.684 618 HB2 ARG 85 2HB ARG 85 -11.165 9.772 2.357 619 HB3 ARG 85 1HB ARG 85 -9.407 9.791 2.398 620 HG2 ARG 85 2HG ARG 85 -9.338 8.019 0.725 621 HG3 ARG 85 1HG ARG 85 -11.108 8.004 0.676 622 HD2 ARG 85 2HD ARG 85 -9.255 10.229 -0.153 623 HD3 ARG 85 1HD ARG 85 -10.354 9.302 -1.174 624 HE ARG 85 HE ARG 85 -11.796 10.639 0.858 625 HH11 ARG 85 1HH1 ARG 85 -10.103 11.212 -2.132 626 HH12 ARG 85 2HH1 ARG 85 -11.028 12.618 -2.537 627 HH21 ARG 85 1HH2 ARG 85 -13.020 12.493 0.335 628 HH22 ARG 85 2HH2 ARG 85 -12.687 13.346 -1.135 629 H LEU 86 H LEU 86 -10.062 7.366 5.733 630 HA LEU 86 HA LEU 86 -12.265 7.526 7.100 631 HB2 LEU 86 2HB LEU 86 -10.417 7.212 8.421 632 HB3 LEU 86 1HB LEU 86 -9.578 8.606 7.770 633 HG LEU 86 HG LEU 86 -11.136 10.074 9.057 634 HD11 LEU 86 1HD1 LEU 86 -12.426 9.069 10.883 635 HD12 LEU 86 2HD1 LEU 86 -12.003 7.463 10.291 636 HD13 LEU 86 3HD1 LEU 86 -12.998 8.533 9.303 637 HD21 LEU 86 3HD2 LEU 86 -9.497 8.087 10.620 638 HD22 LEU 86 1HD2 LEU 86 -10.083 9.631 11.239 639 HD23 LEU 86 2HD2 LEU 86 -8.929 9.597 9.903 640 H VAL 87 H VAL 87 -10.479 10.571 6.593 641 HA VAL 87 HA VAL 87 -12.055 12.424 7.691 642 HB VAL 87 HB VAL 87 -11.609 13.696 5.324 643 HG11 VAL 87 1HG1 VAL 87 -10.875 14.481 7.482 644 HG12 VAL 87 2HG1 VAL 87 -9.509 14.472 6.368 645 HG13 VAL 87 3HG1 VAL 87 -9.671 13.197 7.576 646 HG21 VAL 87 3HG2 VAL 87 -9.558 11.502 5.584 647 HG22 VAL 87 1HG2 VAL 87 -9.408 12.906 4.524 648 HG23 VAL 87 2HG2 VAL 87 -10.698 11.734 4.253 649 H ASP 88 H ASP 88 -12.506 11.993 4.204 650 HA ASP 88 HA ASP 88 -15.250 12.821 4.430 651 HB2 ASP 88 2HB ASP 88 -13.457 12.105 2.122 652 HB3 ASP 88 1HB ASP 88 -15.180 12.407 1.892 653 H ASN 89 H ASN 89 -13.847 10.032 5.113 654 HA ASN 89 HA ASN 89 -14.450 7.850 5.230 655 HB2 ASN 89 2HB ASN 89 -17.233 8.986 4.938 656 HB3 ASN 89 1HB ASN 89 -16.822 7.391 5.564 657 HD21 ASN 89 1HD2 ASN 89 -15.841 7.216 7.589 658 HD22 ASN 89 2HD2 ASN 89 -15.898 8.503 8.739 659 H GLU 90 H GLU 90 -13.848 8.909 2.586 660 HA GLU 90 HA GLU 90 -15.668 7.744 0.711 661 HB2 GLU 90 2HB GLU 90 -12.801 8.620 0.326 662 HB3 GLU 90 1HB GLU 90 -13.937 8.239 -0.959 663 HG2 GLU 90 2HG GLU 90 -14.253 10.462 1.033 664 HG3 GLU 90 1HG GLU 90 -13.659 10.643 -0.615 665 H GLN 91 H GLN 91 -15.043 6.036 -0.815 666 HA GLN 91 HA GLN 91 -13.068 4.136 0.163 667 HB2 GLN 91 2HB GLN 91 -15.160 3.510 1.304 668 HB3 GLN 91 1HB GLN 91 -15.965 3.376 -0.254 669 HG2 GLN 91 2HG GLN 91 -13.524 1.784 -0.027 670 HG3 GLN 91 1HG GLN 91 -14.801 1.324 1.101 671 HE21 GLN 91 1HE2 GLN 91 -13.722 -0.125 -1.183 672 HE22 GLN 91 2HE2 GLN 91 -15.058 -0.435 -2.233 673 H LEU 92 H LEU 92 -11.938 4.639 -1.728 674 HA LEU 92 HA LEU 92 -13.114 4.353 -4.323 675 HB2 LEU 92 2HB LEU 92 -10.211 4.474 -3.483 676 HB3 LEU 92 1HB LEU 92 -10.775 4.535 -5.139 677 HG LEU 92 HG LEU 92 -10.255 6.757 -4.536 678 HD11 LEU 92 1HD1 LEU 92 -12.419 7.922 -4.603 679 HD12 LEU 92 2HD1 LEU 92 -13.233 6.388 -4.294 680 HD13 LEU 92 3HD1 LEU 92 -12.311 6.614 -5.781 681 HD21 LEU 92 3HD2 LEU 92 -10.871 7.854 -2.553 682 HD22 LEU 92 1HD2 LEU 92 -10.303 6.261 -2.054 683 HD23 LEU 92 2HD2 LEU 92 -12.033 6.600 -2.123 684 H ASN 93 H ASN 93 -12.853 2.628 -5.787 685 HA ASN 93 HA ASN 93 -11.724 0.178 -4.611 686 HB2 ASN 93 2HB ASN 93 -13.597 -1.009 -5.963 687 HB3 ASN 93 1HB ASN 93 -13.987 -0.283 -4.410 688 HD21 ASN 93 1HD2 ASN 93 -15.190 1.636 -4.359 689 HD22 ASN 93 2HD2 ASN 93 -16.117 2.160 -5.719 690 H LEU 94 H LEU 94 -9.881 0.098 -5.757 691 HA LEU 94 HA LEU 94 -9.872 0.325 -8.644 692 HB2 LEU 94 2HB LEU 94 -8.007 1.028 -6.966 693 HB3 LEU 94 1HB LEU 94 -7.601 -0.677 -6.938 694 HG LEU 94 HG LEU 94 -7.768 0.640 -9.593 695 HD11 LEU 94 1HD1 LEU 94 -5.415 1.391 -9.353 696 HD12 LEU 94 2HD1 LEU 94 -5.524 1.062 -7.623 697 HD13 LEU 94 3HD1 LEU 94 -6.544 2.304 -8.353 698 HD21 LEU 94 3HD2 LEU 94 -5.945 -0.898 -10.062 699 HD22 LEU 94 1HD2 LEU 94 -7.308 -1.755 -9.346 700 HD23 LEU 94 2HD2 LEU 94 -5.892 -1.378 -8.365 701 H GLU 95 H GLU 95 -11.408 -1.380 -8.981 702 HA GLU 95 HA GLU 95 -10.836 -4.053 -8.109 703 HB2 GLU 95 2HB GLU 95 -12.920 -3.123 -10.076 704 HB3 GLU 95 1HB GLU 95 -12.883 -4.660 -9.222 705 HG2 GLU 95 2HG GLU 95 -13.237 -3.563 -7.121 706 HG3 GLU 95 1HG GLU 95 -13.115 -1.976 -7.883 707 H ASP 96 H ASP 96 -11.669 -5.583 -10.206 708 HA ASP 96 HA ASP 96 -9.348 -6.262 -11.507 709 HB2 ASP 96 2HB ASP 96 -11.172 -7.807 -11.415 710 HB3 ASP 96 1HB ASP 96 -12.217 -6.718 -12.323 711 H GLU 97 H GLU 97 -11.856 -4.024 -12.615 712 HA GLU 97 HA GLU 97 -11.031 -3.679 -15.246 713 HB2 GLU 97 2HB GLU 97 -12.155 -1.590 -13.368 714 HB3 GLU 97 1HB GLU 97 -12.097 -1.458 -15.121 715 HG2 GLU 97 2HG GLU 97 -13.642 -3.511 -13.552 716 HG3 GLU 97 1HG GLU 97 -14.313 -2.086 -14.345 717 H ASP 98 H ASP 98 -9.415 -2.918 -12.389 718 HA ASP 98 HA ASP 98 -7.424 -1.347 -13.868 719 HB2 ASP 98 2HB ASP 98 -8.426 -0.852 -11.052 720 HB3 ASP 98 1HB ASP 98 -7.025 -0.051 -11.766 721 H ILE 99 H ILE 99 -8.074 -4.034 -11.893 722 HA ILE 99 HA ILE 99 -5.388 -4.237 -10.799 723 HB ILE 99 HB ILE 99 -7.810 -6.024 -10.551 724 HG12 ILE 99 2HG1 ILE 99 -7.779 -3.831 -9.344 725 HG13 ILE 99 1HG1 ILE 99 -7.933 -5.237 -8.301 726 HG21 ILE 99 1HG2 ILE 99 -5.927 -7.488 -10.459 727 HG22 ILE 99 2HG2 ILE 99 -6.487 -7.228 -8.806 728 HG23 ILE 99 3HG2 ILE 99 -5.052 -6.388 -9.393 729 HD11 ILE 99 3HD1 ILE 99 -5.507 -5.072 -7.823 730 HD12 ILE 99 1HD1 ILE 99 -6.440 -3.671 -7.296 731 HD13 ILE 99 2HD1 ILE 99 -5.468 -3.581 -8.764 732 H GLU 100 H GLU 100 -7.310 -5.633 -13.382 733 HA GLU 100 HA GLU 100 -5.797 -7.897 -13.965 734 HB2 GLU 100 2HB GLU 100 -6.745 -7.788 -16.202 735 HB3 GLU 100 1HB GLU 100 -7.972 -7.402 -15.005 736 HG2 GLU 100 2HG GLU 100 -7.734 -5.036 -15.489 737 HG3 GLU 100 1HG GLU 100 -6.451 -5.390 -16.645 738 H SER 101 H SER 101 -5.265 -4.531 -14.796 739 HA SER 101 HA SER 101 -2.609 -5.262 -15.829 740 HB2 SER 101 2HB SER 101 -4.468 -3.161 -16.973 741 HB3 SER 101 1HB SER 101 -2.801 -3.428 -17.485 742 HG SER 101 HG SER 101 -3.765 -4.727 -18.852 743 H ILE 102 H ILE 102 -3.193 -4.546 -13.191 744 HA ILE 102 HA ILE 102 -2.828 -1.791 -12.675 745 HB ILE 102 HB ILE 102 -3.791 -3.298 -11.006 746 HG12 ILE 102 2HG1 ILE 102 -2.332 -2.547 -9.051 747 HG13 ILE 102 1HG1 ILE 102 -1.246 -1.860 -10.252 748 HG21 ILE 102 1HG2 ILE 102 -2.546 -5.301 -11.347 749 HG22 ILE 102 2HG2 ILE 102 -2.227 -4.760 -9.699 750 HG23 ILE 102 3HG2 ILE 102 -1.024 -4.496 -10.962 751 HD11 ILE 102 3HD1 ILE 102 -2.972 -0.379 -11.030 752 HD12 ILE 102 1HD1 ILE 102 -2.779 -0.208 -9.286 753 HD13 ILE 102 2HD1 ILE 102 -4.139 -1.122 -9.937 754 H ASP 103 H ASP 103 -1.051 -0.612 -12.200 755 HA ASP 103 HA ASP 103 1.570 -1.919 -12.267 756 HB2 ASP 103 2HB ASP 103 0.869 0.586 -13.812 757 HB3 ASP 103 1HB ASP 103 2.472 -0.130 -13.682 758 H ALA 104 H ALA 104 3.197 -0.798 -11.066 759 HA ALA 104 HA ALA 104 2.416 0.332 -8.696 760 HB1 ALA 104 1HB ALA 104 4.987 0.833 -10.180 761 HB2 ALA 104 2HB ALA 104 4.658 -0.472 -9.037 762 HB3 ALA 104 3HB ALA 104 4.705 1.201 -8.478 763 H THR 105 H THR 105 2.985 1.911 -11.766 764 HA THR 105 HA THR 105 2.869 4.586 -10.911 765 HB THR 105 HB THR 105 2.019 3.400 -13.560 766 HG1 THR 105 1HG THR 105 4.424 4.801 -13.092 767 HG21 THR 105 3HG2 THR 105 2.548 6.241 -12.721 768 HG22 THR 105 1HG2 THR 105 1.042 5.565 -13.344 769 HG23 THR 105 2HG2 THR 105 2.446 5.715 -14.402 770 H LYS 106 H LYS 106 0.352 2.405 -12.140 771 HA LYS 106 HA LYS 106 -1.794 4.194 -12.017 772 HB2 LYS 106 2HB LYS 106 -1.825 1.187 -11.671 773 HB3 LYS 106 1HB LYS 106 -3.224 2.188 -12.035 774 HG2 LYS 106 2HG LYS 106 -2.240 2.827 -14.161 775 HG3 LYS 106 1HG LYS 106 -0.797 1.877 -13.794 776 HD2 LYS 106 2HD LYS 106 -2.181 0.571 -15.250 777 HD3 LYS 106 1HD LYS 106 -2.273 -0.143 -13.640 778 HE2 LYS 106 2HE LYS 106 -4.425 0.752 -13.258 779 HE3 LYS 106 1HE LYS 106 -4.301 1.838 -14.642 780 HZ1 LYS 106 3HZ LYS 106 -4.414 -0.028 -16.122 781 HZ2 LYS 106 1HZ LYS 106 -5.726 -0.108 -15.056 782 HZ3 LYS 106 2HZ LYS 106 -4.392 -1.125 -14.835 783 H LEU 107 H LEU 107 -1.000 1.605 -9.661 784 HA LEU 107 HA LEU 107 -2.871 2.221 -7.740 785 HB2 LEU 107 2HB LEU 107 -0.701 0.520 -7.896 786 HB3 LEU 107 1HB LEU 107 -0.250 1.593 -6.588 787 HG LEU 107 HG LEU 107 -2.511 -0.365 -6.727 788 HD11 LEU 107 1HD1 LEU 107 -0.303 0.263 -4.784 789 HD12 LEU 107 2HD1 LEU 107 -0.551 -1.210 -5.720 790 HD13 LEU 107 3HD1 LEU 107 -1.643 -0.816 -4.396 791 HD21 LEU 107 3HD2 LEU 107 -3.446 0.643 -4.665 792 HD22 LEU 107 1HD2 LEU 107 -3.630 1.672 -6.086 793 HD23 LEU 107 2HD2 LEU 107 -2.380 2.031 -4.896 794 H SER 108 H SER 108 0.480 3.432 -7.868 795 HA SER 108 HA SER 108 0.290 5.217 -5.728 796 HB2 SER 108 2HB SER 108 2.019 5.427 -8.204 797 HB3 SER 108 1HB SER 108 2.277 6.303 -6.694 798 HG SER 108 HG SER 108 3.442 4.616 -6.218 799 H ARG 109 H ARG 109 -0.698 5.520 -9.056 800 HA ARG 109 HA ARG 109 -1.031 8.338 -9.077 801 HB2 ARG 109 2HB ARG 109 -0.777 6.911 -11.114 802 HB3 ARG 109 1HB ARG 109 -2.371 6.253 -10.811 803 HG2 ARG 109 2HG ARG 109 -1.944 9.194 -11.181 804 HG3 ARG 109 1HG ARG 109 -2.141 8.102 -12.553 805 HD2 ARG 109 2HD ARG 109 -4.233 7.297 -11.176 806 HD3 ARG 109 1HD ARG 109 -4.100 8.905 -10.458 807 HE ARG 109 HE ARG 109 -5.220 8.319 -12.943 808 HH11 ARG 109 1HH1 ARG 109 -2.926 10.578 -11.590 809 HH12 ARG 109 2HH1 ARG 109 -3.260 11.808 -12.762 810 HH21 ARG 109 1HH2 ARG 109 -5.655 9.933 -14.482 811 HH22 ARG 109 2HH2 ARG 109 -4.806 11.442 -14.404 812 H PHE 110 H PHE 110 -3.507 5.788 -9.233 813 HA PHE 110 HA PHE 110 -5.748 7.218 -8.695 814 HB2 PHE 110 2HB PHE 110 -4.945 4.434 -7.898 815 HB3 PHE 110 1HB PHE 110 -6.495 5.092 -7.372 816 HD1 PHE 110 2HD PHE 110 -4.512 4.000 -10.252 817 HD2 PHE 110 1HD PHE 110 -8.282 5.466 -8.932 818 HE1 PHE 110 2HE PHE 110 -5.505 3.378 -12.415 819 HE2 PHE 110 1HE PHE 110 -9.283 4.846 -11.092 820 HZ PHE 110 HZ PHE 110 -7.895 3.802 -12.837 821 H ILE 111 H ILE 111 -3.435 5.970 -6.311 822 HA ILE 111 HA ILE 111 -4.792 6.907 -4.025 823 HB ILE 111 HB ILE 111 -1.836 6.426 -4.461 824 HG12 ILE 111 2HG1 ILE 111 -3.875 4.749 -2.988 825 HG13 ILE 111 1HG1 ILE 111 -3.410 4.475 -4.658 826 HG21 ILE 111 1HG2 ILE 111 -1.647 6.415 -2.021 827 HG22 ILE 111 2HG2 ILE 111 -3.342 6.886 -1.889 828 HG23 ILE 111 3HG2 ILE 111 -2.174 7.987 -2.626 829 HD11 ILE 111 3HD1 ILE 111 -1.592 4.336 -2.271 830 HD12 ILE 111 1HD1 ILE 111 -1.103 4.085 -3.947 831 HD13 ILE 111 2HD1 ILE 111 -2.234 2.968 -3.181 832 H GLU 112 H GLU 112 -2.024 8.279 -5.794 833 HA GLU 112 HA GLU 112 -1.804 10.677 -4.430 834 HB2 GLU 112 2HB GLU 112 -0.239 9.779 -6.195 835 HB3 GLU 112 1HB GLU 112 -1.394 10.331 -7.403 836 HG2 GLU 112 2HG GLU 112 -1.104 12.625 -6.669 837 HG3 GLU 112 1HG GLU 112 -0.001 12.095 -5.400 838 H ILE 113 H ILE 113 -4.267 9.561 -6.470 839 HA ILE 113 HA ILE 113 -5.254 12.197 -7.169 840 HB ILE 113 HB ILE 113 -5.704 9.456 -8.101 841 HG12 ILE 113 2HG1 ILE 113 -5.931 10.567 -10.244 842 HG13 ILE 113 1HG1 ILE 113 -6.071 12.134 -9.451 843 HG21 ILE 113 1HG2 ILE 113 -7.909 9.738 -7.260 844 HG22 ILE 113 2HG2 ILE 113 -7.959 9.941 -9.008 845 HG23 ILE 113 3HG2 ILE 113 -8.029 11.355 -7.954 846 HD11 ILE 113 3HD1 ILE 113 -3.862 11.807 -10.409 847 HD12 ILE 113 1HD1 ILE 113 -3.641 10.357 -9.429 848 HD13 ILE 113 2HD1 ILE 113 -3.777 11.935 -8.652 849 H ASN 114 H ASN 114 -6.130 9.489 -5.055 850 HA ASN 114 HA ASN 114 -8.231 11.214 -3.914 851 HB2 ASN 114 2HB ASN 114 -8.269 8.210 -4.224 852 HB3 ASN 114 1HB ASN 114 -9.460 9.136 -3.311 853 HD21 ASN 114 1HD2 ASN 114 -9.429 11.366 -5.170 854 HD22 ASN 114 2HD2 ASN 114 -10.297 10.841 -6.570 855 H SER 115 H SER 115 -5.409 10.932 -3.097 856 HA SER 115 HA SER 115 -5.504 9.496 -0.591 857 HB2 SER 115 2HB SER 115 -3.209 10.277 -0.286 858 HB3 SER 115 1HB SER 115 -3.415 9.636 -1.919 859 HG SER 115 HG SER 115 -3.988 12.268 -1.858 860 H LEU 116 H LEU 116 -7.517 11.393 -0.770 861 HA LEU 116 HA LEU 116 -6.689 13.710 0.776 862 HB2 LEU 116 2HB LEU 116 -9.438 12.948 -0.197 863 HB3 LEU 116 1HB LEU 116 -8.944 14.510 0.437 864 HG LEU 116 HG LEU 116 -8.021 13.265 -2.153 865 HD11 LEU 116 1HD1 LEU 116 -9.239 15.097 -3.199 866 HD12 LEU 116 2HD1 LEU 116 -9.778 15.653 -1.615 867 HD13 LEU 116 3HD1 LEU 116 -10.314 14.089 -2.230 868 HD21 LEU 116 3HD2 LEU 116 -6.232 14.562 -1.144 869 HD22 LEU 116 1HD2 LEU 116 -7.327 15.926 -0.913 870 HD23 LEU 116 2HD2 LEU 116 -6.893 15.409 -2.543 Start of MODEL 10 1 H GLU 1 H GLU 1 7.767 29.524 -3.104 2 HA GLU 1 HA GLU 1 6.830 27.847 -1.019 3 HB2 GLU 1 2HB GLU 1 4.597 27.223 -1.897 4 HB3 GLU 1 1HB GLU 1 4.660 28.878 -1.309 5 HG2 GLU 1 2HG GLU 1 4.820 29.711 -3.574 6 HG3 GLU 1 1HG GLU 1 4.855 28.064 -4.198 7 H VAL 2 H VAL 2 7.061 25.703 -1.531 8 HA VAL 2 HA VAL 2 7.262 24.841 -4.279 9 HB VAL 2 HB VAL 2 9.509 25.750 -3.910 10 HG11 VAL 2 1HG1 VAL 2 9.672 23.756 -1.655 11 HG12 VAL 2 2HG1 VAL 2 9.638 25.511 -1.495 12 HG13 VAL 2 3HG1 VAL 2 11.012 24.722 -2.269 13 HG21 VAL 2 3HG2 VAL 2 9.223 23.807 -5.369 14 HG22 VAL 2 1HG2 VAL 2 9.472 22.734 -3.991 15 HG23 VAL 2 2HG2 VAL 2 10.784 23.771 -4.548 16 H GLU 3 H GLU 3 7.022 22.636 -4.517 17 HA GLU 3 HA GLU 3 6.697 21.090 -2.030 18 HB2 GLU 3 2HB GLU 3 4.516 21.670 -3.034 19 HB3 GLU 3 1HB GLU 3 5.003 20.883 -4.529 20 HG2 GLU 3 2HG GLU 3 3.538 19.464 -3.208 21 HG3 GLU 3 1HG GLU 3 5.139 18.747 -3.384 22 H LYS 4 H LYS 4 8.461 19.822 -2.009 23 HA LYS 4 HA LYS 4 8.867 18.050 -4.313 24 HB2 LYS 4 2HB LYS 4 10.556 19.855 -4.407 25 HB3 LYS 4 1HB LYS 4 11.091 19.422 -2.791 26 HG2 LYS 4 2HG LYS 4 12.597 18.511 -4.444 27 HG3 LYS 4 1HG LYS 4 11.751 17.206 -3.610 28 HD2 LYS 4 2HD LYS 4 11.816 16.699 -5.956 29 HD3 LYS 4 1HD LYS 4 10.155 17.103 -5.517 30 HE2 LYS 4 2HE LYS 4 10.711 18.164 -7.611 31 HE3 LYS 4 1HE LYS 4 10.526 19.396 -6.361 32 HZ1 LYS 4 3HZ LYS 4 13.099 18.313 -7.379 33 HZ2 LYS 4 1HZ LYS 4 12.945 19.456 -6.140 34 HZ3 LYS 4 2HZ LYS 4 12.458 19.842 -7.713 35 H SER 5 H SER 5 8.943 15.975 -3.759 36 HA SER 5 HA SER 5 8.755 15.205 -1.008 37 HB2 SER 5 2HB SER 5 9.044 13.487 -3.486 38 HB3 SER 5 1HB SER 5 8.586 12.914 -1.883 39 HG SER 5 HG SER 5 7.111 14.344 -3.757 40 H SER 6 H SER 6 10.717 15.861 -0.077 41 HA SER 6 HA SER 6 12.809 13.909 -0.232 42 HB2 SER 6 2HB SER 6 14.616 15.458 -0.859 43 HB3 SER 6 1HB SER 6 13.429 15.312 -2.154 44 HG SER 6 HG SER 6 12.472 17.275 -1.086 45 H ASP 7 H ASP 7 11.054 14.861 1.781 46 HA ASP 7 HA ASP 7 12.439 16.675 3.508 47 HB2 ASP 7 2HB ASP 7 10.136 14.797 4.079 48 HB3 ASP 7 1HB ASP 7 10.698 16.072 5.156 49 H GLY 8 H GLY 8 11.684 13.195 3.789 50 HA2 GLY 8 2HA GLY 8 14.030 12.952 5.567 51 HA3 GLY 8 1HA GLY 8 12.601 11.936 5.677 52 HA PRO 9 HA PRO 9 16.135 9.892 3.194 53 HB2 PRO 9 2HB PRO 9 15.348 7.701 5.048 54 HB3 PRO 9 1HB PRO 9 16.957 8.202 4.514 55 HG2 PRO 9 2HG PRO 9 16.093 8.777 6.968 56 HG3 PRO 9 1HG PRO 9 17.071 9.936 6.049 57 HD2 PRO 9 2HD PRO 9 14.132 9.934 6.582 58 HD3 PRO 9 1HD PRO 9 15.264 11.300 6.490 59 H GLY 10 H GLY 10 13.362 8.105 4.568 60 HA2 GLY 10 2HA GLY 10 11.952 7.904 2.129 61 HA3 GLY 10 1HA GLY 10 12.923 6.458 2.357 62 H ALA 11 H ALA 11 11.884 4.832 3.275 63 HA ALA 11 HA ALA 11 10.341 5.123 5.646 64 HB1 ALA 11 1HB ALA 11 8.702 5.974 4.009 65 HB2 ALA 11 2HB ALA 11 8.164 4.496 4.804 66 HB3 ALA 11 3HB ALA 11 8.784 4.431 3.155 67 H ALA 12 H ALA 12 10.103 2.959 2.823 68 HA ALA 12 HA ALA 12 10.437 0.724 2.578 69 HB1 ALA 12 1HB ALA 12 12.746 1.458 3.218 70 HB2 ALA 12 2HB ALA 12 12.374 -0.232 3.569 71 HB3 ALA 12 3HB ALA 12 12.370 0.960 4.869 72 H GLN 13 H GLN 13 8.542 -0.218 3.124 73 HA GLN 13 HA GLN 13 8.403 -1.725 5.526 74 HB2 GLN 13 2HB GLN 13 6.210 -0.585 6.271 75 HB3 GLN 13 1HB GLN 13 7.734 0.183 6.689 76 HG2 GLN 13 2HG GLN 13 7.420 1.570 4.573 77 HG3 GLN 13 1HG GLN 13 5.759 0.973 4.580 78 HE21 GLN 13 1HE2 GLN 13 6.683 3.690 4.863 79 HE22 GLN 13 2HE2 GLN 13 6.116 4.251 6.396 80 H GLU 14 H GLU 14 6.130 -2.754 5.739 81 HA GLU 14 HA GLU 14 5.121 -3.307 3.026 82 HB2 GLU 14 2HB GLU 14 4.729 -5.590 3.672 83 HB3 GLU 14 1HB GLU 14 6.394 -5.183 4.064 84 HG2 GLU 14 2HG GLU 14 5.696 -4.802 6.408 85 HG3 GLU 14 1HG GLU 14 4.080 -5.357 5.972 86 HA PRO 15 HA PRO 15 1.054 -2.233 4.338 87 HB2 PRO 15 2HB PRO 15 -0.491 -4.041 3.014 88 HB3 PRO 15 1HB PRO 15 0.315 -2.683 2.220 89 HG2 PRO 15 2HG PRO 15 1.124 -5.555 2.359 90 HG3 PRO 15 1HG PRO 15 1.207 -4.429 0.993 91 HD2 PRO 15 2HD PRO 15 3.362 -5.077 2.519 92 HD3 PRO 15 1HD PRO 15 3.180 -3.509 1.707 93 H THR 16 H THR 16 -0.527 -2.690 5.821 94 HA THR 16 HA THR 16 0.020 -4.668 7.767 95 HB THR 16 HB THR 16 -2.556 -3.125 7.419 96 HG1 THR 16 1HG THR 16 -0.491 -1.880 7.576 97 HG21 THR 16 3HG2 THR 16 -2.694 -4.991 9.002 98 HG22 THR 16 1HG2 THR 16 -2.773 -3.441 9.838 99 HG23 THR 16 2HG2 THR 16 -1.278 -4.376 9.852 100 H TRP 17 H TRP 17 -1.177 -6.487 8.386 101 HA TRP 17 HA TRP 17 -2.524 -7.821 6.158 102 HB2 TRP 17 2HB TRP 17 -1.449 -8.891 8.775 103 HB3 TRP 17 1HB TRP 17 -2.230 -9.872 7.539 104 HD1 TRP 17 HD TRP 17 0.966 -7.791 8.101 105 HE1 TRP 17 1HE TRP 17 2.779 -8.646 6.486 106 HE3 TRP 17 3HE TRP 17 -1.841 -11.120 5.419 107 HZ2 TRP 17 2HZ TRP 17 2.989 -10.489 4.355 108 HZ3 TRP 17 3HZ TRP 17 -0.757 -12.388 3.610 109 HH2 TRP 17 HH TRP 17 1.606 -12.078 3.091 110 H LEU 18 H LEU 18 -4.556 -6.880 6.234 111 HA LEU 18 HA LEU 18 -6.110 -6.943 8.684 112 HB2 LEU 18 2HB LEU 18 -7.006 -6.186 5.905 113 HB3 LEU 18 1HB LEU 18 -7.806 -5.796 7.417 114 HG LEU 18 HG LEU 18 -5.095 -4.755 6.604 115 HD11 LEU 18 1HD1 LEU 18 -6.229 -2.624 6.236 116 HD12 LEU 18 2HD1 LEU 18 -7.781 -3.401 6.544 117 HD13 LEU 18 3HD1 LEU 18 -6.821 -3.876 5.144 118 HD21 LEU 18 3HD2 LEU 18 -5.495 -3.166 8.474 119 HD22 LEU 18 1HD2 LEU 18 -5.301 -4.841 8.988 120 HD23 LEU 18 2HD2 LEU 18 -6.908 -4.121 8.922 121 H THR 19 H THR 19 -5.852 -9.353 8.760 122 HA THR 19 HA THR 19 -7.171 -11.000 6.855 123 HB THR 19 HB THR 19 -6.878 -12.811 8.461 124 HG1 THR 19 1HG THR 19 -5.715 -12.106 10.485 125 HG21 THR 19 3HG2 THR 19 -4.956 -12.164 7.107 126 HG22 THR 19 1HG2 THR 19 -4.438 -12.702 8.704 127 HG23 THR 19 2HG2 THR 19 -4.483 -10.981 8.327 128 H ASP 20 H ASP 20 -8.495 -8.864 8.996 129 HA ASP 20 HA ASP 20 -11.029 -10.322 8.958 130 HB2 ASP 20 2HB ASP 20 -9.779 -9.135 11.439 131 HB3 ASP 20 1HB ASP 20 -11.463 -9.639 11.331 132 H VAL 21 H VAL 21 -12.870 -9.059 8.959 133 HA VAL 21 HA VAL 21 -12.740 -6.593 7.687 134 HB VAL 21 HB VAL 21 -15.016 -7.640 9.377 135 HG11 VAL 21 1HG1 VAL 21 -14.973 -5.553 7.200 136 HG12 VAL 21 2HG1 VAL 21 -15.256 -5.270 8.918 137 HG13 VAL 21 3HG1 VAL 21 -16.422 -6.193 7.971 138 HG21 VAL 21 3HG2 VAL 21 -14.363 -9.230 7.655 139 HG22 VAL 21 1HG2 VAL 21 -14.453 -7.963 6.432 140 HG23 VAL 21 2HG2 VAL 21 -15.916 -8.494 7.262 141 HA PRO 22 HA PRO 22 -13.673 -4.549 12.056 142 HB2 PRO 22 2HB PRO 22 -12.424 -5.920 14.108 143 HB3 PRO 22 1HB PRO 22 -14.151 -6.000 13.748 144 HG2 PRO 22 2HG PRO 22 -11.963 -7.884 12.970 145 HG3 PRO 22 1HG PRO 22 -13.608 -8.246 13.529 146 HD2 PRO 22 2HD PRO 22 -12.970 -8.404 10.944 147 HD3 PRO 22 1HD PRO 22 -14.548 -7.769 11.455 148 H ALA 23 H ALA 23 -10.707 -6.510 11.787 149 HA ALA 23 HA ALA 23 -8.987 -4.535 12.833 150 HB1 ALA 23 1HB ALA 23 -7.166 -5.878 11.920 151 HB2 ALA 23 2HB ALA 23 -8.319 -6.805 10.960 152 HB3 ALA 23 3HB ALA 23 -8.357 -6.902 12.722 153 H ALA 24 H ALA 24 -10.179 -5.249 9.649 154 HA ALA 24 HA ALA 24 -8.431 -3.604 8.166 155 HB1 ALA 24 1HB ALA 24 -10.184 -3.698 6.410 156 HB2 ALA 24 2HB ALA 24 -11.256 -4.490 7.567 157 HB3 ALA 24 3HB ALA 24 -9.768 -5.288 7.058 158 H MET 25 H MET 25 -11.806 -3.031 9.151 159 HA MET 25 HA MET 25 -11.890 -0.327 8.428 160 HB2 MET 25 2HB MET 25 -13.522 -1.661 10.590 161 HB3 MET 25 1HB MET 25 -13.943 -0.209 9.694 162 HG2 MET 25 2HG MET 25 -13.957 -1.608 7.616 163 HG3 MET 25 1HG MET 25 -13.777 -3.022 8.652 164 HE1 MET 25 3HE MET 25 -15.548 -2.270 11.181 165 HE2 MET 25 1HE MET 25 -15.574 -3.841 10.378 166 HE3 MET 25 2HE MET 25 -17.086 -2.995 10.712 167 H GLU 26 H GLU 26 -10.648 -1.917 11.271 168 HA GLU 26 HA GLU 26 -10.654 0.384 12.952 169 HB2 GLU 26 2HB GLU 26 -9.363 -2.306 13.062 170 HB3 GLU 26 1HB GLU 26 -8.757 -1.037 14.117 171 HG2 GLU 26 2HG GLU 26 -11.250 -0.733 14.758 172 HG3 GLU 26 1HG GLU 26 -11.430 -2.355 14.088 173 H PHE 27 H PHE 27 -8.127 -1.197 11.009 174 HA PHE 27 HA PHE 27 -6.110 0.659 11.590 175 HB2 PHE 27 2HB PHE 27 -6.529 -1.443 9.550 176 HB3 PHE 27 1HB PHE 27 -5.381 -0.176 9.121 177 HD1 PHE 27 2HD PHE 27 -6.083 -2.957 11.391 178 HD2 PHE 27 1HD PHE 27 -3.309 0.085 10.324 179 HE1 PHE 27 2HE PHE 27 -4.360 -4.060 12.754 180 HE2 PHE 27 1HE PHE 27 -1.578 -1.010 11.686 181 HZ PHE 27 HZ PHE 27 -2.102 -3.084 12.907 182 H ILE 28 H ILE 28 -8.720 0.647 9.266 183 HA ILE 28 HA ILE 28 -7.826 2.922 7.785 184 HB ILE 28 HB ILE 28 -10.488 1.537 8.037 185 HG12 ILE 28 2HG1 ILE 28 -8.816 1.971 5.564 186 HG13 ILE 28 1HG1 ILE 28 -8.502 0.634 6.669 187 HG21 ILE 28 1HG2 ILE 28 -9.885 4.008 6.417 188 HG22 ILE 28 2HG2 ILE 28 -11.004 3.886 7.771 189 HG23 ILE 28 3HG2 ILE 28 -11.343 3.030 6.271 190 HD11 ILE 28 3HD1 ILE 28 -11.183 1.100 5.403 191 HD12 ILE 28 1HD1 ILE 28 -10.599 -0.350 6.220 192 HD13 ILE 28 2HD1 ILE 28 -9.923 0.116 4.659 193 H ALA 29 H ALA 29 -9.904 2.399 10.572 194 HA ALA 29 HA ALA 29 -10.813 5.089 10.783 195 HB1 ALA 29 1HB ALA 29 -12.109 3.299 11.757 196 HB2 ALA 29 2HB ALA 29 -11.588 4.400 13.032 197 HB3 ALA 29 3HB ALA 29 -10.767 2.854 12.812 198 H ALA 30 H ALA 30 -7.962 3.410 11.750 199 HA ALA 30 HA ALA 30 -7.188 5.470 13.670 200 HB1 ALA 30 1HB ALA 30 -5.746 2.972 12.797 201 HB2 ALA 30 2HB ALA 30 -6.745 3.142 14.240 202 HB3 ALA 30 3HB ALA 30 -5.241 4.054 14.094 203 H THR 31 H THR 31 -7.487 6.193 10.885 204 HA THR 31 HA THR 31 -5.101 7.673 10.522 205 HB THR 31 HB THR 31 -4.203 5.507 9.802 206 HG1 THR 31 1HG THR 31 -3.246 6.362 8.044 207 HG21 THR 31 3HG2 THR 31 -5.157 4.162 8.211 208 HG22 THR 31 1HG2 THR 31 -5.993 5.502 7.424 209 HG23 THR 31 2HG2 THR 31 -6.605 4.851 8.944 210 H GLU 32 H GLU 32 -5.242 9.161 8.795 211 HA GLU 32 HA GLU 32 -7.888 9.932 8.089 212 HB2 GLU 32 2HB GLU 32 -5.841 11.430 8.390 213 HB3 GLU 32 1HB GLU 32 -5.355 10.917 6.779 214 HG2 GLU 32 2HG GLU 32 -7.386 11.832 5.840 215 HG3 GLU 32 1HG GLU 32 -7.952 12.277 7.451 216 H VAL 33 H VAL 33 -5.162 8.740 6.113 217 HA VAL 33 HA VAL 33 -7.133 7.883 4.096 218 HB VAL 33 HB VAL 33 -4.232 8.518 3.569 219 HG11 VAL 33 1HG1 VAL 33 -5.210 6.965 1.979 220 HG12 VAL 33 2HG1 VAL 33 -4.937 8.532 1.216 221 HG13 VAL 33 3HG1 VAL 33 -6.568 8.063 1.712 222 HG21 VAL 33 3HG2 VAL 33 -5.061 10.591 2.522 223 HG22 VAL 33 1HG2 VAL 33 -5.356 10.544 4.260 224 HG23 VAL 33 2HG2 VAL 33 -6.677 10.225 3.132 225 H ALA 34 H ALA 34 -7.037 5.795 3.338 226 HA ALA 34 HA ALA 34 -4.864 4.082 4.280 227 HB1 ALA 34 1HB ALA 34 -7.779 3.587 4.838 228 HB2 ALA 34 2HB ALA 34 -6.483 3.823 6.012 229 HB3 ALA 34 3HB ALA 34 -6.519 2.366 5.016 230 H VAL 35 H VAL 35 -4.163 2.791 2.751 231 HA VAL 35 HA VAL 35 -5.969 2.133 0.522 232 HB VAL 35 HB VAL 35 -2.995 2.615 0.524 233 HG11 VAL 35 1HG1 VAL 35 -3.357 0.607 -0.784 234 HG12 VAL 35 2HG1 VAL 35 -3.036 1.963 -1.866 235 HG13 VAL 35 3HG1 VAL 35 -4.685 1.378 -1.652 236 HG21 VAL 35 3HG2 VAL 35 -4.341 4.583 0.318 237 HG22 VAL 35 1HG2 VAL 35 -5.350 3.818 -0.912 238 HG23 VAL 35 2HG2 VAL 35 -3.664 4.211 -1.269 239 H ILE 36 H ILE 36 -6.416 0.076 0.234 240 HA ILE 36 HA ILE 36 -4.688 -1.924 1.521 241 HB ILE 36 HB ILE 36 -7.696 -1.809 1.665 242 HG12 ILE 36 2HG1 ILE 36 -5.829 -1.822 4.006 243 HG13 ILE 36 1HG1 ILE 36 -6.111 -0.321 3.136 244 HG21 ILE 36 1HG2 ILE 36 -5.736 -3.900 2.595 245 HG22 ILE 36 2HG2 ILE 36 -7.109 -4.101 1.503 246 HG23 ILE 36 3HG2 ILE 36 -7.384 -3.776 3.215 247 HD11 ILE 36 3HD1 ILE 36 -8.536 -0.624 3.543 248 HD12 ILE 36 1HD1 ILE 36 -7.570 -0.408 5.004 249 HD13 ILE 36 2HD1 ILE 36 -8.139 -2.016 4.551 250 H GLY 37 H GLY 37 -4.310 -3.741 0.436 251 HA2 GLY 37 2HA GLY 37 -5.500 -3.980 -2.229 252 HA3 GLY 37 1HA GLY 37 -3.998 -4.720 -1.711 253 H PHE 38 H PHE 38 -7.409 -5.063 -1.960 254 HA PHE 38 HA PHE 38 -7.548 -7.456 -0.327 255 HB2 PHE 38 2HB PHE 38 -9.633 -6.296 -2.191 256 HB3 PHE 38 1HB PHE 38 -9.894 -7.496 -0.931 257 HD1 PHE 38 2HD PHE 38 -8.667 -4.009 -1.381 258 HD2 PHE 38 1HD PHE 38 -10.626 -6.816 1.143 259 HE1 PHE 38 2HE PHE 38 -9.152 -2.218 0.230 260 HE2 PHE 38 1HE PHE 38 -11.116 -5.025 2.757 261 HZ PHE 38 HZ PHE 38 -10.379 -2.724 2.302 262 H PHE 39 H PHE 39 -6.215 -8.957 -1.273 263 HA PHE 39 HA PHE 39 -6.832 -9.711 -4.052 264 HB2 PHE 39 2HB PHE 39 -4.291 -10.313 -2.548 265 HB3 PHE 39 1HB PHE 39 -4.583 -10.485 -4.278 266 HD1 PHE 39 2HD PHE 39 -5.800 -7.993 -5.044 267 HD2 PHE 39 1HD PHE 39 -2.669 -8.708 -2.254 268 HE1 PHE 39 2HE PHE 39 -4.955 -5.716 -5.416 269 HE2 PHE 39 1HE PHE 39 -1.818 -6.428 -2.620 270 HZ PHE 39 HZ PHE 39 -2.962 -4.929 -4.204 271 H GLN 40 H GLN 40 -7.224 -11.802 -4.589 272 HA GLN 40 HA GLN 40 -7.821 -13.632 -2.402 273 HB2 GLN 40 2HB GLN 40 -8.281 -13.936 -5.382 274 HB3 GLN 40 1HB GLN 40 -8.886 -15.014 -4.134 275 HG2 GLN 40 2HG GLN 40 -10.233 -13.181 -3.220 276 HG3 GLN 40 1HG GLN 40 -9.646 -12.125 -4.502 277 HE21 GLN 40 1HE2 GLN 40 -10.378 -15.508 -4.966 278 HE22 GLN 40 2HE2 GLN 40 -11.768 -15.273 -5.965 279 H ASP 41 H ASP 41 -5.319 -12.835 -4.404 280 HA ASP 41 HA ASP 41 -3.832 -15.246 -3.750 281 HB2 ASP 41 2HB ASP 41 -4.731 -15.745 -5.974 282 HB3 ASP 41 1HB ASP 41 -4.138 -14.199 -6.580 283 H LEU 42 H LEU 42 -1.984 -14.542 -2.842 284 HA LEU 42 HA LEU 42 -1.127 -11.817 -3.365 285 HB2 LEU 42 2HB LEU 42 -0.087 -13.854 -1.399 286 HB3 LEU 42 1HB LEU 42 0.474 -12.195 -1.523 287 HG LEU 42 HG LEU 42 -2.340 -13.015 -0.817 288 HD11 LEU 42 1HD1 LEU 42 -1.776 -12.259 1.434 289 HD12 LEU 42 2HD1 LEU 42 -0.115 -11.960 0.924 290 HD13 LEU 42 3HD1 LEU 42 -0.751 -13.604 0.937 291 HD21 LEU 42 3HD2 LEU 42 -2.355 -10.881 -1.903 292 HD22 LEU 42 1HD2 LEU 42 -0.974 -10.330 -0.952 293 HD23 LEU 42 2HD2 LEU 42 -2.529 -10.610 -0.169 294 H GLU 43 H GLU 43 -0.826 -13.327 -5.587 295 HA GLU 43 HA GLU 43 2.094 -13.377 -5.863 296 HB2 GLU 43 2HB GLU 43 0.221 -15.453 -7.017 297 HB3 GLU 43 1HB GLU 43 1.950 -15.358 -7.317 298 HG2 GLU 43 2HG GLU 43 2.355 -15.727 -4.923 299 HG3 GLU 43 1HG GLU 43 0.616 -15.903 -4.681 300 H ILE 44 H ILE 44 -0.552 -11.843 -6.649 301 HA ILE 44 HA ILE 44 -0.206 -11.667 -9.533 302 HB ILE 44 HB ILE 44 -2.026 -9.872 -9.264 303 HG12 ILE 44 2HG1 ILE 44 -2.609 -11.238 -6.673 304 HG13 ILE 44 1HG1 ILE 44 -1.511 -9.866 -6.705 305 HG21 ILE 44 1HG2 ILE 44 -3.757 -11.515 -9.323 306 HG22 ILE 44 2HG2 ILE 44 -2.758 -12.680 -8.453 307 HG23 ILE 44 3HG2 ILE 44 -2.331 -12.203 -10.102 308 HD11 ILE 44 3HD1 ILE 44 -3.424 -8.755 -6.315 309 HD12 ILE 44 1HD1 ILE 44 -4.424 -9.978 -7.101 310 HD13 ILE 44 2HD1 ILE 44 -3.529 -8.815 -8.075 311 HA PRO 45 HA PRO 45 2.393 -8.116 -9.846 312 HB2 PRO 45 2HB PRO 45 0.155 -6.837 -11.357 313 HB3 PRO 45 1HB PRO 45 1.858 -6.984 -11.794 314 HG2 PRO 45 2HG PRO 45 0.058 -8.553 -12.939 315 HG3 PRO 45 1HG PRO 45 1.630 -9.212 -12.445 316 HD2 PRO 45 2HD PRO 45 -1.046 -9.513 -11.147 317 HD3 PRO 45 1HD PRO 45 0.279 -10.687 -11.288 318 H ALA 46 H ALA 46 -0.922 -7.691 -8.833 319 HA ALA 46 HA ALA 46 -0.784 -4.998 -8.022 320 HB1 ALA 46 1HB ALA 46 -2.853 -6.390 -8.396 321 HB2 ALA 46 2HB ALA 46 -2.865 -5.354 -6.968 322 HB3 ALA 46 3HB ALA 46 -2.563 -7.085 -6.801 323 H VAL 47 H VAL 47 -0.082 -8.003 -6.281 324 HA VAL 47 HA VAL 47 0.063 -6.890 -3.714 325 HB VAL 47 HB VAL 47 1.853 -9.168 -4.468 326 HG11 VAL 47 1HG1 VAL 47 0.156 -8.536 -2.055 327 HG12 VAL 47 2HG1 VAL 47 1.909 -8.394 -2.175 328 HG13 VAL 47 3HG1 VAL 47 1.147 -9.982 -2.249 329 HG21 VAL 47 3HG2 VAL 47 -0.257 -9.574 -5.639 330 HG22 VAL 47 1HG2 VAL 47 -1.140 -9.335 -4.131 331 HG23 VAL 47 2HG2 VAL 47 -0.036 -10.701 -4.301 332 HA PRO 48 HA PRO 48 4.879 -6.393 -4.395 333 HB2 PRO 48 2HB PRO 48 4.978 -6.140 -7.348 334 HB3 PRO 48 1HB PRO 48 6.093 -6.971 -6.254 335 HG2 PRO 48 2HG PRO 48 4.426 -8.345 -7.816 336 HG3 PRO 48 1HG PRO 48 4.784 -8.882 -6.163 337 HD2 PRO 48 2HD PRO 48 2.372 -7.462 -7.214 338 HD3 PRO 48 1HD PRO 48 2.473 -8.782 -6.038 339 H ILE 49 H ILE 49 2.767 -5.035 -6.886 340 HA ILE 49 HA ILE 49 3.908 -2.487 -7.019 341 HB ILE 49 HB ILE 49 1.270 -3.641 -7.771 342 HG12 ILE 49 2HG1 ILE 49 3.034 -1.971 -9.502 343 HG13 ILE 49 1HG1 ILE 49 3.557 -3.594 -9.071 344 HG21 ILE 49 1HG2 ILE 49 1.840 -0.728 -7.481 345 HG22 ILE 49 2HG2 ILE 49 0.388 -1.633 -7.058 346 HG23 ILE 49 3HG2 ILE 49 0.760 -1.306 -8.749 347 HD11 ILE 49 3HD1 ILE 49 2.278 -3.255 -11.258 348 HD12 ILE 49 1HD1 ILE 49 0.848 -3.111 -10.237 349 HD13 ILE 49 2HD1 ILE 49 1.807 -4.593 -10.210 350 H LEU 50 H LEU 50 1.486 -3.835 -4.845 351 HA LEU 50 HA LEU 50 0.821 -1.319 -3.651 352 HB2 LEU 50 2HB LEU 50 -0.786 -3.116 -3.568 353 HB3 LEU 50 1HB LEU 50 0.355 -4.155 -2.746 354 HG LEU 50 HG LEU 50 0.300 -2.553 -0.809 355 HD11 LEU 50 1HD1 LEU 50 -2.095 -1.423 -2.249 356 HD12 LEU 50 2HD1 LEU 50 -0.538 -0.610 -2.081 357 HD13 LEU 50 3HD1 LEU 50 -1.507 -0.963 -0.649 358 HD21 LEU 50 3HD2 LEU 50 -2.438 -3.640 -1.420 359 HD22 LEU 50 1HD2 LEU 50 -1.616 -3.515 0.138 360 HD23 LEU 50 2HD2 LEU 50 -1.070 -4.696 -1.053 361 H HIS 51 H HIS 51 2.801 -4.103 -2.647 362 HA HIS 51 HA HIS 51 3.758 -3.067 -0.249 363 HB2 HIS 51 2HB HIS 51 4.989 -4.960 -2.249 364 HB3 HIS 51 1HB HIS 51 5.826 -4.511 -0.767 365 HD1 HIS 51 1HD HIS 51 2.261 -5.681 -1.482 366 HD2 HIS 51 2HD HIS 51 5.478 -6.480 1.022 367 HE1 HIS 51 1HE HIS 51 1.496 -7.542 0.024 368 HE2 HIS 51 2HE HIS 51 3.478 -8.051 1.491 369 H SER 52 H SER 52 4.500 -2.278 -3.525 370 HA SER 52 HA SER 52 6.960 -0.886 -2.930 371 HB2 SER 52 2HB SER 52 5.265 -0.962 -5.441 372 HB3 SER 52 1HB SER 52 6.845 -0.189 -5.316 373 HG SER 52 HG SER 52 7.269 -2.559 -4.420 374 H MET 53 H MET 53 3.625 0.006 -3.783 375 HA MET 53 HA MET 53 4.007 2.784 -3.767 376 HB2 MET 53 2HB MET 53 1.714 2.980 -3.942 377 HB3 MET 53 1HB MET 53 1.967 1.353 -4.545 378 HG2 MET 53 2HG MET 53 0.153 1.109 -3.150 379 HG3 MET 53 1HG MET 53 1.497 0.618 -2.127 380 HE1 MET 53 3HE MET 53 -0.627 2.287 0.607 381 HE2 MET 53 1HE MET 53 0.370 0.906 0.149 382 HE3 MET 53 2HE MET 53 -1.153 1.208 -0.686 383 H VAL 54 H VAL 54 3.689 0.456 -1.257 384 HA VAL 54 HA VAL 54 2.823 1.920 0.908 385 HB VAL 54 HB VAL 54 4.858 -0.285 0.743 386 HG11 VAL 54 1HG1 VAL 54 3.672 0.959 3.213 387 HG12 VAL 54 2HG1 VAL 54 5.372 0.970 2.738 388 HG13 VAL 54 3HG1 VAL 54 4.585 -0.549 3.177 389 HG21 VAL 54 3HG2 VAL 54 2.824 -1.223 0.226 390 HG22 VAL 54 1HG2 VAL 54 1.931 -0.115 1.269 391 HG23 VAL 54 2HG2 VAL 54 2.870 -1.428 1.977 392 H GLN 55 H GLN 55 6.141 1.602 -0.316 393 HA GLN 55 HA GLN 55 7.212 3.412 1.628 394 HB2 GLN 55 2HB GLN 55 8.555 2.622 -0.931 395 HB3 GLN 55 1HB GLN 55 9.281 3.033 0.618 396 HG2 GLN 55 2HG GLN 55 8.450 0.961 1.575 397 HG3 GLN 55 1HG GLN 55 7.673 0.556 0.044 398 HE21 GLN 55 1HE2 GLN 55 9.701 -0.905 1.534 399 HE22 GLN 55 2HE2 GLN 55 11.045 -1.089 0.465 400 H LYS 56 H LYS 56 5.544 3.750 -1.288 401 HA LYS 56 HA LYS 56 6.725 6.322 -1.977 402 HB2 LYS 56 2HB LYS 56 4.430 4.833 -3.265 403 HB3 LYS 56 1HB LYS 56 5.232 6.257 -3.910 404 HG2 LYS 56 2HG LYS 56 7.301 4.999 -4.153 405 HG3 LYS 56 1HG LYS 56 6.518 3.568 -3.476 406 HD2 LYS 56 2HD LYS 56 6.468 3.280 -5.817 407 HD3 LYS 56 1HD LYS 56 4.835 3.781 -5.367 408 HE2 LYS 56 2HE LYS 56 5.411 5.031 -7.294 409 HE3 LYS 56 1HE LYS 56 5.539 6.136 -5.926 410 HZ1 LYS 56 3HZ LYS 56 7.954 5.688 -5.910 411 HZ2 LYS 56 1HZ LYS 56 7.424 6.434 -7.334 412 HZ3 LYS 56 2HZ LYS 56 7.776 4.779 -7.326 413 H PHE 57 H PHE 57 4.187 5.051 -0.120 414 HA PHE 57 HA PHE 57 3.092 7.744 0.258 415 HB2 PHE 57 2HB PHE 57 1.597 5.262 -0.482 416 HB3 PHE 57 1HB PHE 57 0.813 6.488 0.510 417 HD1 PHE 57 2HD PHE 57 0.530 8.789 -0.380 418 HD2 PHE 57 1HD PHE 57 1.896 5.569 -2.803 419 HE1 PHE 57 2HE PHE 57 -0.019 10.082 -2.401 420 HE2 PHE 57 1HE PHE 57 1.350 6.856 -4.827 421 HZ PHE 57 HZ PHE 57 0.391 9.115 -4.627 422 HA PRO 58 HA PRO 58 4.275 5.418 4.242 423 HB2 PRO 58 2HB PRO 58 5.338 7.772 5.298 424 HB3 PRO 58 1HB PRO 58 6.273 6.463 4.567 425 HG2 PRO 58 2HG PRO 58 5.326 9.025 3.351 426 HG3 PRO 58 1HG PRO 58 6.880 8.192 3.145 427 HD2 PRO 58 2HD PRO 58 5.019 8.049 1.252 428 HD3 PRO 58 1HD PRO 58 5.970 6.612 1.681 429 H GLY 59 H GLY 59 3.012 8.681 3.617 430 HA2 GLY 59 2HA GLY 59 1.682 9.042 6.064 431 HA3 GLY 59 1HA GLY 59 1.261 9.836 4.551 432 H VAL 60 H VAL 60 0.625 7.593 3.028 433 HA VAL 60 HA VAL 60 -2.060 7.120 3.797 434 HB VAL 60 HB VAL 60 -0.273 5.988 1.656 435 HG11 VAL 60 1HG1 VAL 60 -1.711 4.137 2.352 436 HG12 VAL 60 2HG1 VAL 60 -2.175 4.733 0.758 437 HG13 VAL 60 3HG1 VAL 60 -3.134 5.167 2.174 438 HG21 VAL 60 3HG2 VAL 60 -1.111 8.206 1.271 439 HG22 VAL 60 1HG2 VAL 60 -2.758 7.695 1.639 440 HG23 VAL 60 2HG2 VAL 60 -1.948 7.091 0.193 441 H SER 61 H SER 61 -3.039 5.246 4.604 442 HA SER 61 HA SER 61 -1.312 3.629 6.260 443 HB2 SER 61 2HB SER 61 -3.440 4.416 7.167 444 HB3 SER 61 1HB SER 61 -4.312 3.550 5.905 445 HG SER 61 HG SER 61 -2.531 2.179 7.595 446 H PHE 62 H PHE 62 -0.147 2.269 5.015 447 HA PHE 62 HA PHE 62 -1.097 0.823 2.807 448 HB2 PHE 62 2HB PHE 62 0.912 -0.722 3.440 449 HB3 PHE 62 1HB PHE 62 1.220 0.931 2.910 450 HD1 PHE 62 2HD PHE 62 1.049 -1.279 5.861 451 HD2 PHE 62 1HD PHE 62 2.200 2.531 4.354 452 HE1 PHE 62 2HE PHE 62 2.274 -0.827 7.946 453 HE2 PHE 62 1HE PHE 62 3.425 2.988 6.438 454 HZ PHE 62 HZ PHE 62 3.461 1.309 8.238 455 H GLY 63 H GLY 63 -2.298 -0.942 2.644 456 HA2 GLY 63 2HA GLY 63 -2.481 -2.797 4.897 457 HA3 GLY 63 1HA GLY 63 -3.969 -2.036 4.349 458 H ILE 64 H ILE 64 -3.587 -4.796 4.338 459 HA ILE 64 HA ILE 64 -4.205 -5.375 1.612 460 HB ILE 64 HB ILE 64 -1.603 -5.346 1.857 461 HG12 ILE 64 2HG1 ILE 64 -3.066 -7.627 0.526 462 HG13 ILE 64 1HG1 ILE 64 -2.796 -6.031 -0.158 463 HG21 ILE 64 1HG2 ILE 64 -0.622 -7.480 2.464 464 HG22 ILE 64 2HG2 ILE 64 -2.212 -8.107 2.891 465 HG23 ILE 64 3HG2 ILE 64 -1.505 -6.792 3.826 466 HD11 ILE 64 3HD1 ILE 64 -0.367 -6.454 -0.082 467 HD12 ILE 64 1HD1 ILE 64 -1.240 -7.589 -1.112 468 HD13 ILE 64 2HD1 ILE 64 -0.700 -8.090 0.490 469 H SER 65 H SER 65 -5.375 -7.255 1.431 470 HA SER 65 HA SER 65 -5.471 -9.054 3.730 471 HB2 SER 65 2HB SER 65 -7.185 -7.415 4.258 472 HB3 SER 65 1HB SER 65 -7.901 -7.608 2.656 473 HG SER 65 HG SER 65 -8.783 -8.838 4.593 474 H THR 66 H THR 66 -6.636 -11.027 3.338 475 HA THR 66 HA THR 66 -7.165 -11.676 0.536 476 HB THR 66 HB THR 66 -5.920 -13.800 0.724 477 HG1 THR 66 1HG THR 66 -5.203 -12.700 3.240 478 HG21 THR 66 3HG2 THR 66 -4.149 -11.432 1.296 479 HG22 THR 66 1HG2 THR 66 -4.891 -11.762 -0.269 480 HG23 THR 66 2HG2 THR 66 -3.723 -12.895 0.410 481 H ASP 67 H ASP 67 -8.178 -11.617 3.628 482 HA ASP 67 HA ASP 67 -9.397 -14.175 3.923 483 HB2 ASP 67 2HB ASP 67 -8.872 -12.674 5.833 484 HB3 ASP 67 1HB ASP 67 -10.121 -11.567 5.276 485 H SER 68 H SER 68 -11.515 -14.793 3.591 486 HA SER 68 HA SER 68 -12.812 -13.664 1.352 487 HB2 SER 68 2HB SER 68 -14.606 -15.295 1.831 488 HB3 SER 68 1HB SER 68 -13.009 -16.040 1.898 489 HG SER 68 HG SER 68 -14.513 -16.538 3.672 490 H GLU 69 H GLU 69 -13.708 -13.683 4.806 491 HA GLU 69 HA GLU 69 -16.092 -12.318 4.676 492 HB2 GLU 69 2HB GLU 69 -14.009 -11.934 6.821 493 HB3 GLU 69 1HB GLU 69 -15.739 -11.662 6.965 494 HG2 GLU 69 2HG GLU 69 -16.156 -14.037 6.655 495 HG3 GLU 69 1HG GLU 69 -14.425 -14.323 6.473 496 H VAL 70 H VAL 70 -12.830 -10.946 4.726 497 HA VAL 70 HA VAL 70 -13.748 -8.252 4.798 498 HB VAL 70 HB VAL 70 -11.060 -9.413 4.057 499 HG11 VAL 70 1HG1 VAL 70 -10.216 -7.080 4.338 500 HG12 VAL 70 2HG1 VAL 70 -11.893 -6.532 4.344 501 HG13 VAL 70 3HG1 VAL 70 -11.228 -7.321 2.913 502 HG21 VAL 70 3HG2 VAL 70 -10.346 -8.695 6.224 503 HG22 VAL 70 1HG2 VAL 70 -11.820 -9.643 6.421 504 HG23 VAL 70 2HG2 VAL 70 -11.883 -7.881 6.516 505 H LEU 71 H LEU 71 -12.304 -10.231 2.211 506 HA LEU 71 HA LEU 71 -12.627 -8.373 0.147 507 HB2 LEU 71 2HB LEU 71 -12.286 -11.334 0.270 508 HB3 LEU 71 1HB LEU 71 -12.742 -10.606 -1.258 509 HG LEU 71 HG LEU 71 -10.737 -9.344 -1.375 510 HD11 LEU 71 1HD1 LEU 71 -9.054 -9.378 0.440 511 HD12 LEU 71 2HD1 LEU 71 -10.223 -10.213 1.463 512 HD13 LEU 71 3HD1 LEU 71 -10.561 -8.578 0.889 513 HD21 LEU 71 3HD2 LEU 71 -10.421 -11.614 -2.058 514 HD22 LEU 71 1HD2 LEU 71 -10.184 -12.136 -0.388 515 HD23 LEU 71 2HD2 LEU 71 -8.986 -11.102 -1.169 516 H THR 72 H THR 72 -14.929 -10.147 1.870 517 HA THR 72 HA THR 72 -16.946 -10.059 -0.233 518 HB THR 72 HB THR 72 -17.112 -11.034 2.630 519 HG1 THR 72 1HG THR 72 -16.548 -12.914 1.815 520 HG21 THR 72 3HG2 THR 72 -19.295 -10.317 1.975 521 HG22 THR 72 1HG2 THR 72 -19.262 -12.075 1.828 522 HG23 THR 72 2HG2 THR 72 -19.134 -11.066 0.386 523 H HIS 73 H HIS 73 -16.242 -8.628 2.918 524 HA HIS 73 HA HIS 73 -18.569 -7.097 3.199 525 HB2 HIS 73 2HB HIS 73 -16.945 -7.513 5.023 526 HB3 HIS 73 1HB HIS 73 -15.785 -6.465 4.213 527 HD1 HIS 73 1HD HIS 73 -18.977 -6.377 6.174 528 HD2 HIS 73 2HD HIS 73 -16.237 -3.730 4.516 529 HE1 HIS 73 1HE HIS 73 -19.562 -4.122 7.122 530 HE2 HIS 73 2HE HIS 73 -17.882 -2.537 6.116 531 H TYR 74 H TYR 74 -15.507 -6.441 1.579 532 HA TYR 74 HA TYR 74 -16.418 -3.791 0.778 533 HB2 TYR 74 2HB TYR 74 -13.813 -5.267 0.416 534 HB3 TYR 74 1HB TYR 74 -14.134 -3.713 -0.346 535 HD1 TYR 74 1HD TYR 74 -14.034 -5.384 2.983 536 HD2 TYR 74 2HD TYR 74 -13.714 -1.735 0.817 537 HE1 TYR 74 1HE TYR 74 -13.308 -4.235 5.034 538 HE2 TYR 74 2HE TYR 74 -12.985 -0.579 2.862 539 HH TYR 74 HH TYR 74 -13.197 -0.881 5.323 540 H ASN 75 H ASN 75 -17.260 -6.657 -0.212 541 HA ASN 75 HA ASN 75 -18.071 -7.571 -2.127 542 HB2 ASN 75 2HB ASN 75 -18.073 -4.668 -2.957 543 HB3 ASN 75 1HB ASN 75 -18.855 -5.961 -3.867 544 HD21 ASN 75 1HD2 ASN 75 -20.675 -6.979 -2.996 545 HD22 ASN 75 2HD2 ASN 75 -21.606 -6.249 -1.737 546 H ILE 76 H ILE 76 -15.127 -7.141 -1.811 547 HA ILE 76 HA ILE 76 -13.900 -6.520 -4.245 548 HB ILE 76 HB ILE 76 -12.950 -8.533 -2.204 549 HG12 ILE 76 2HG1 ILE 76 -13.483 -6.393 -1.149 550 HG13 ILE 76 1HG1 ILE 76 -11.750 -6.659 -1.177 551 HG21 ILE 76 1HG2 ILE 76 -11.480 -6.958 -4.300 552 HG22 ILE 76 2HG2 ILE 76 -11.699 -8.704 -4.242 553 HG23 ILE 76 3HG2 ILE 76 -10.704 -7.898 -3.030 554 HD11 ILE 76 3HD1 ILE 76 -13.278 -4.890 -3.070 555 HD12 ILE 76 1HD1 ILE 76 -11.532 -5.139 -3.066 556 HD13 ILE 76 2HD1 ILE 76 -12.313 -4.350 -1.696 557 H THR 77 H THR 77 -13.870 -7.525 -6.151 558 HA THR 77 HA THR 77 -14.182 -10.427 -6.275 559 HB THR 77 HB THR 77 -15.815 -10.198 -8.165 560 HG1 THR 77 1HG THR 77 -16.018 -7.530 -7.177 561 HG21 THR 77 3HG2 THR 77 -16.693 -9.182 -5.463 562 HG22 THR 77 1HG2 THR 77 -16.585 -10.868 -5.968 563 HG23 THR 77 2HG2 THR 77 -17.769 -9.797 -6.716 564 H GLY 78 H GLY 78 -11.798 -9.574 -6.672 565 HA2 GLY 78 2HA GLY 78 -10.807 -10.408 -8.985 566 HA3 GLY 78 1HA GLY 78 -11.375 -8.814 -9.459 567 H ASN 79 H ASN 79 -9.815 -9.919 -6.460 568 HA ASN 79 HA ASN 79 -8.025 -9.090 -5.315 569 HB2 ASN 79 2HB ASN 79 -6.908 -8.824 -8.110 570 HB3 ASN 79 1HB ASN 79 -5.965 -8.853 -6.624 571 HD21 ASN 79 1HD2 ASN 79 -7.859 -10.714 -8.859 572 HD22 ASN 79 2HD2 ASN 79 -7.377 -12.271 -8.286 573 H THR 80 H THR 80 -10.005 -7.244 -5.719 574 HA THR 80 HA THR 80 -9.157 -4.798 -6.855 575 HB THR 80 HB THR 80 -11.285 -5.358 -4.776 576 HG1 THR 80 1HG THR 80 -12.654 -5.188 -6.665 577 HG21 THR 80 3HG2 THR 80 -12.267 -3.206 -5.481 578 HG22 THR 80 1HG2 THR 80 -10.846 -2.901 -6.479 579 HG23 THR 80 2HG2 THR 80 -10.688 -3.001 -4.727 580 H ILE 81 H ILE 81 -8.586 -2.858 -5.861 581 HA ILE 81 HA ILE 81 -7.419 -3.056 -3.154 582 HB ILE 81 HB ILE 81 -6.453 -1.448 -5.531 583 HG12 ILE 81 2HG1 ILE 81 -5.131 -3.642 -3.922 584 HG13 ILE 81 1HG1 ILE 81 -5.780 -3.814 -5.547 585 HG21 ILE 81 1HG2 ILE 81 -4.711 -0.569 -4.076 586 HG22 ILE 81 2HG2 ILE 81 -5.408 -1.426 -2.701 587 HG23 ILE 81 3HG2 ILE 81 -6.309 -0.124 -3.478 588 HD11 ILE 81 3HD1 ILE 81 -4.135 -2.142 -6.323 589 HD12 ILE 81 1HD1 ILE 81 -3.406 -3.606 -5.662 590 HD13 ILE 81 2HD1 ILE 81 -3.442 -2.130 -4.700 591 H CYS 82 H CYS 82 -8.542 -1.837 -1.738 592 HA CYS 82 HA CYS 82 -10.094 0.392 -2.846 593 HB2 CYS 82 2HB CYS 82 -10.517 -1.177 -0.311 594 HB3 CYS 82 1HB CYS 82 -11.487 0.206 -0.800 595 HG CYS 82 HG CYS 82 -11.357 -2.055 -3.213 596 H LEU 83 H LEU 83 -9.896 2.412 -2.167 597 HA LEU 83 HA LEU 83 -7.892 2.976 -0.095 598 HB2 LEU 83 2HB LEU 83 -7.097 3.984 -2.015 599 HB3 LEU 83 1HB LEU 83 -8.697 4.359 -2.611 600 HG LEU 83 HG LEU 83 -8.900 6.232 -1.124 601 HD11 LEU 83 1HD1 LEU 83 -7.637 5.107 0.772 602 HD12 LEU 83 2HD1 LEU 83 -7.377 6.836 0.553 603 HD13 LEU 83 3HD1 LEU 83 -6.166 5.683 -0.013 604 HD21 LEU 83 3HD2 LEU 83 -7.771 6.757 -3.143 605 HD22 LEU 83 1HD2 LEU 83 -6.248 6.108 -2.534 606 HD23 LEU 83 2HD2 LEU 83 -6.916 7.585 -1.842 607 H PHE 84 H PHE 84 -9.050 3.129 1.768 608 HA PHE 84 HA PHE 84 -11.547 4.633 1.793 609 HB2 PHE 84 2HB PHE 84 -11.004 2.374 3.044 610 HB3 PHE 84 1HB PHE 84 -10.325 3.454 4.256 611 HD1 PHE 84 2HD PHE 84 -11.996 5.566 4.723 612 HD2 PHE 84 1HD PHE 84 -13.131 1.668 3.449 613 HE1 PHE 84 2HE PHE 84 -14.243 5.917 5.664 614 HE2 PHE 84 1HE PHE 84 -15.381 2.012 4.386 615 HZ PHE 84 HZ PHE 84 -15.938 4.138 5.496 616 H ARG 85 H ARG 85 -11.550 6.752 2.224 617 HA ARG 85 HA ARG 85 -9.223 7.897 3.619 618 HB2 ARG 85 2HB ARG 85 -11.178 9.717 2.350 619 HB3 ARG 85 1HB ARG 85 -9.421 9.777 2.369 620 HG2 ARG 85 2HG ARG 85 -9.347 8.013 0.674 621 HG3 ARG 85 1HG ARG 85 -11.121 7.999 0.633 622 HD2 ARG 85 2HD ARG 85 -9.265 10.229 -0.177 623 HD3 ARG 85 1HD ARG 85 -10.395 9.333 -1.196 624 HE ARG 85 HE ARG 85 -11.761 10.659 0.904 625 HH11 ARG 85 1HH1 ARG 85 -10.192 11.221 -2.154 626 HH12 ARG 85 2HH1 ARG 85 -11.127 12.631 -2.523 627 HH21 ARG 85 1HH2 ARG 85 -12.998 12.519 0.429 628 HH22 ARG 85 2HH2 ARG 85 -12.721 13.369 -1.055 629 H LEU 86 H LEU 86 -9.936 7.357 5.703 630 HA LEU 86 HA LEU 86 -12.148 7.478 7.088 631 HB2 LEU 86 2HB LEU 86 -10.295 7.164 8.401 632 HB3 LEU 86 1HB LEU 86 -9.458 8.555 7.743 633 HG LEU 86 HG LEU 86 -11.017 10.025 9.036 634 HD11 LEU 86 1HD1 LEU 86 -12.291 9.037 10.866 635 HD12 LEU 86 2HD1 LEU 86 -11.831 7.422 10.326 636 HD13 LEU 86 3HD1 LEU 86 -12.853 8.437 9.306 637 HD21 LEU 86 3HD2 LEU 86 -9.934 9.599 11.208 638 HD22 LEU 86 1HD2 LEU 86 -8.798 9.583 9.857 639 HD23 LEU 86 2HD2 LEU 86 -9.332 8.063 10.580 640 H VAL 87 H VAL 87 -10.368 10.542 6.658 641 HA VAL 87 HA VAL 87 -11.968 12.357 7.781 642 HB VAL 87 HB VAL 87 -11.512 13.702 5.460 643 HG11 VAL 87 1HG1 VAL 87 -10.793 14.391 7.672 644 HG12 VAL 87 2HG1 VAL 87 -9.443 14.478 6.541 645 HG13 VAL 87 3HG1 VAL 87 -9.552 13.140 7.683 646 HG21 VAL 87 3HG2 VAL 87 -9.262 12.942 4.693 647 HG22 VAL 87 1HG2 VAL 87 -10.574 11.833 4.295 648 HG23 VAL 87 2HG2 VAL 87 -9.492 11.472 5.645 649 H ASP 88 H ASP 88 -12.397 11.965 4.282 650 HA ASP 88 HA ASP 88 -15.142 12.786 4.511 651 HB2 ASP 88 2HB ASP 88 -13.354 12.082 2.196 652 HB3 ASP 88 1HB ASP 88 -15.078 12.378 1.972 653 H ASN 89 H ASN 89 -13.701 9.997 5.155 654 HA ASN 89 HA ASN 89 -14.267 7.807 5.251 655 HB2 ASN 89 2HB ASN 89 -16.093 8.827 6.561 656 HB3 ASN 89 1HB ASN 89 -17.077 8.901 5.106 657 HD21 ASN 89 1HD2 ASN 89 -18.106 7.092 4.397 658 HD22 ASN 89 2HD2 ASN 89 -18.099 5.590 5.250 659 H GLU 90 H GLU 90 -13.780 8.900 2.610 660 HA GLU 90 HA GLU 90 -15.657 7.726 0.791 661 HB2 GLU 90 2HB GLU 90 -12.824 8.653 0.291 662 HB3 GLU 90 1HB GLU 90 -14.019 8.280 -0.942 663 HG2 GLU 90 2HG GLU 90 -14.247 10.466 1.098 664 HG3 GLU 90 1HG GLU 90 -13.756 10.679 -0.579 665 H GLN 91 H GLN 91 -14.931 6.097 -0.850 666 HA GLN 91 HA GLN 91 -12.926 4.220 0.087 667 HB2 GLN 91 2HB GLN 91 -15.138 3.631 1.190 668 HB3 GLN 91 1HB GLN 91 -15.729 3.237 -0.419 669 HG2 GLN 91 2HG GLN 91 -13.484 1.793 -0.423 670 HG3 GLN 91 1HG GLN 91 -13.816 1.801 1.309 671 HE21 GLN 91 1HE2 GLN 91 -14.920 0.769 -1.817 672 HE22 GLN 91 2HE2 GLN 91 -16.124 -0.336 -1.254 673 H LEU 92 H LEU 92 -11.847 4.761 -1.834 674 HA LEU 92 HA LEU 92 -13.079 4.494 -4.397 675 HB2 LEU 92 2HB LEU 92 -10.159 4.573 -3.619 676 HB3 LEU 92 1HB LEU 92 -10.750 4.639 -5.265 677 HG LEU 92 HG LEU 92 -10.177 6.856 -4.639 678 HD11 LEU 92 1HD1 LEU 92 -12.339 8.039 -4.738 679 HD12 LEU 92 2HD1 LEU 92 -13.163 6.501 -4.483 680 HD13 LEU 92 3HD1 LEU 92 -12.195 6.752 -5.936 681 HD21 LEU 92 3HD2 LEU 92 -10.796 7.952 -2.667 682 HD22 LEU 92 1HD2 LEU 92 -10.311 6.338 -2.151 683 HD23 LEU 92 2HD2 LEU 92 -12.023 6.748 -2.275 684 H ASN 93 H ASN 93 -12.807 2.800 -5.914 685 HA ASN 93 HA ASN 93 -11.775 0.299 -4.755 686 HB2 ASN 93 2HB ASN 93 -13.650 -0.747 -6.293 687 HB3 ASN 93 1HB ASN 93 -14.013 -0.195 -4.662 688 HD21 ASN 93 1HD2 ASN 93 -16.165 0.181 -5.111 689 HD22 ASN 93 2HD2 ASN 93 -16.697 1.486 -6.108 690 H LEU 94 H LEU 94 -9.975 -0.061 -5.813 691 HA LEU 94 HA LEU 94 -9.816 0.313 -8.705 692 HB2 LEU 94 2HB LEU 94 -8.012 0.988 -6.943 693 HB3 LEU 94 1HB LEU 94 -7.614 -0.719 -6.931 694 HG LEU 94 HG LEU 94 -7.688 0.634 -9.572 695 HD11 LEU 94 1HD1 LEU 94 -5.499 1.033 -7.532 696 HD12 LEU 94 2HD1 LEU 94 -6.515 2.285 -8.250 697 HD13 LEU 94 3HD1 LEU 94 -5.359 1.407 -9.251 698 HD21 LEU 94 3HD2 LEU 94 -7.229 -1.757 -9.352 699 HD22 LEU 94 1HD2 LEU 94 -5.864 -1.401 -8.294 700 HD23 LEU 94 2HD2 LEU 94 -5.831 -0.889 -9.981 701 H GLU 95 H GLU 95 -11.382 -1.389 -9.049 702 HA GLU 95 HA GLU 95 -10.832 -4.068 -8.195 703 HB2 GLU 95 2HB GLU 95 -12.844 -3.164 -10.246 704 HB3 GLU 95 1HB GLU 95 -12.850 -4.666 -9.329 705 HG2 GLU 95 2HG GLU 95 -13.297 -3.502 -7.297 706 HG3 GLU 95 1HG GLU 95 -13.101 -1.940 -8.091 707 H ASP 96 H ASP 96 -11.611 -5.580 -10.300 708 HA ASP 96 HA ASP 96 -9.320 -6.365 -11.533 709 HB2 ASP 96 2HB ASP 96 -11.013 -7.182 -13.396 710 HB3 ASP 96 1HB ASP 96 -11.000 -7.901 -11.789 711 H GLU 97 H GLU 97 -11.766 -4.240 -13.021 712 HA GLU 97 HA GLU 97 -10.639 -3.827 -15.479 713 HB2 GLU 97 2HB GLU 97 -12.803 -2.885 -14.738 714 HB3 GLU 97 1HB GLU 97 -11.938 -1.699 -13.769 715 HG2 GLU 97 2HG GLU 97 -10.922 -0.798 -15.816 716 HG3 GLU 97 1HG GLU 97 -11.848 -1.960 -16.766 717 H ASP 98 H ASP 98 -9.327 -2.925 -12.476 718 HA ASP 98 HA ASP 98 -7.264 -1.316 -13.815 719 HB2 ASP 98 2HB ASP 98 -8.332 -0.939 -11.004 720 HB3 ASP 98 1HB ASP 98 -7.048 0.006 -11.758 721 H ILE 99 H ILE 99 -7.963 -4.061 -11.952 722 HA ILE 99 HA ILE 99 -5.315 -4.251 -10.750 723 HB ILE 99 HB ILE 99 -7.750 -6.022 -10.569 724 HG12 ILE 99 2HG1 ILE 99 -7.728 -3.829 -9.361 725 HG13 ILE 99 1HG1 ILE 99 -7.927 -5.234 -8.326 726 HG21 ILE 99 1HG2 ILE 99 -5.920 -7.521 -10.419 727 HG22 ILE 99 2HG2 ILE 99 -6.459 -7.209 -8.768 728 HG23 ILE 99 3HG2 ILE 99 -5.012 -6.413 -9.386 729 HD11 ILE 99 3HD1 ILE 99 -6.442 -3.673 -7.286 730 HD12 ILE 99 1HD1 ILE 99 -5.419 -3.625 -8.722 731 HD13 ILE 99 2HD1 ILE 99 -5.528 -5.103 -7.764 732 H GLU 100 H GLU 100 -7.256 -5.895 -13.219 733 HA GLU 100 HA GLU 100 -5.655 -8.069 -13.772 734 HB2 GLU 100 2HB GLU 100 -6.647 -8.099 -15.988 735 HB3 GLU 100 1HB GLU 100 -7.864 -7.678 -14.792 736 HG2 GLU 100 2HG GLU 100 -7.644 -5.321 -15.401 737 HG3 GLU 100 1HG GLU 100 -6.430 -5.751 -16.604 738 H SER 101 H SER 101 -5.153 -4.724 -14.610 739 HA SER 101 HA SER 101 -2.521 -5.440 -15.697 740 HB2 SER 101 2HB SER 101 -4.401 -3.389 -16.903 741 HB3 SER 101 1HB SER 101 -2.754 -3.715 -17.442 742 HG SER 101 HG SER 101 -3.497 -5.323 -18.553 743 H ILE 102 H ILE 102 -3.100 -4.651 -13.089 744 HA ILE 102 HA ILE 102 -2.789 -1.874 -12.652 745 HB ILE 102 HB ILE 102 -3.717 -3.342 -10.940 746 HG12 ILE 102 2HG1 ILE 102 -2.246 -2.544 -9.009 747 HG13 ILE 102 1HG1 ILE 102 -1.178 -1.869 -10.234 748 HG21 ILE 102 1HG2 ILE 102 -2.131 -4.768 -9.614 749 HG22 ILE 102 2HG2 ILE 102 -0.942 -4.527 -10.896 750 HG23 ILE 102 3HG2 ILE 102 -2.464 -5.346 -11.244 751 HD11 ILE 102 3HD1 ILE 102 -4.043 -1.124 -9.742 752 HD12 ILE 102 1HD1 ILE 102 -3.057 -0.507 -11.068 753 HD13 ILE 102 2HD1 ILE 102 -2.615 -0.151 -9.398 754 H ASP 103 H ASP 103 -1.025 -0.660 -12.154 755 HA ASP 103 HA ASP 103 1.619 -1.919 -12.251 756 HB2 ASP 103 2HB ASP 103 0.949 0.631 -13.733 757 HB3 ASP 103 1HB ASP 103 2.488 -0.223 -13.728 758 H ALA 104 H ALA 104 3.219 -0.813 -11.026 759 HA ALA 104 HA ALA 104 2.435 0.320 -8.663 760 HB1 ALA 104 1HB ALA 104 4.721 1.215 -8.451 761 HB2 ALA 104 2HB ALA 104 5.005 0.815 -10.148 762 HB3 ALA 104 3HB ALA 104 4.675 -0.467 -8.980 763 H THR 105 H THR 105 3.091 1.942 -11.710 764 HA THR 105 HA THR 105 2.929 4.599 -10.852 765 HB THR 105 HB THR 105 2.073 3.425 -13.505 766 HG1 THR 105 1HG THR 105 4.150 3.763 -14.120 767 HG21 THR 105 3HG2 THR 105 1.096 5.591 -13.260 768 HG22 THR 105 1HG2 THR 105 2.485 5.742 -14.335 769 HG23 THR 105 2HG2 THR 105 2.610 6.264 -12.655 770 H LYS 106 H LYS 106 0.408 2.429 -12.100 771 HA LYS 106 HA LYS 106 -1.742 4.199 -11.969 772 HB2 LYS 106 2HB LYS 106 -1.776 1.200 -11.569 773 HB3 LYS 106 1HB LYS 106 -3.168 2.199 -11.963 774 HG2 LYS 106 2HG LYS 106 -2.244 2.740 -14.110 775 HG3 LYS 106 1HG LYS 106 -0.737 1.910 -13.713 776 HD2 LYS 106 2HD LYS 106 -1.956 0.398 -15.060 777 HD3 LYS 106 1HD LYS 106 -2.146 -0.184 -13.407 778 HE2 LYS 106 2HE LYS 106 -4.324 1.015 -13.302 779 HE3 LYS 106 1HE LYS 106 -4.137 1.413 -15.010 780 HZ1 LYS 106 3HZ LYS 106 -4.325 -1.317 -13.855 781 HZ2 LYS 106 1HZ LYS 106 -4.066 -0.973 -15.492 782 HZ3 LYS 106 2HZ LYS 106 -5.520 -0.525 -14.752 783 H LEU 107 H LEU 107 -1.013 1.596 -9.616 784 HA LEU 107 HA LEU 107 -2.846 2.220 -7.685 785 HB2 LEU 107 2HB LEU 107 -0.641 0.553 -7.849 786 HB3 LEU 107 1HB LEU 107 -0.233 1.618 -6.522 787 HG LEU 107 HG LEU 107 -2.443 -0.390 -6.718 788 HD11 LEU 107 1HD1 LEU 107 -0.507 -1.216 -5.672 789 HD12 LEU 107 2HD1 LEU 107 -1.603 -0.809 -4.354 790 HD13 LEU 107 3HD1 LEU 107 -0.266 0.270 -4.756 791 HD21 LEU 107 3HD2 LEU 107 -2.414 1.997 -4.874 792 HD22 LEU 107 1HD2 LEU 107 -3.431 0.573 -4.654 793 HD23 LEU 107 2HD2 LEU 107 -3.640 1.595 -6.076 794 H SER 108 H SER 108 0.512 3.416 -7.760 795 HA SER 108 HA SER 108 0.304 5.209 -5.635 796 HB2 SER 108 2HB SER 108 2.063 5.393 -8.090 797 HB3 SER 108 1HB SER 108 2.307 6.288 -6.589 798 HG SER 108 HG SER 108 3.593 4.467 -6.532 799 H ARG 109 H ARG 109 -0.666 5.506 -8.969 800 HA ARG 109 HA ARG 109 -0.977 8.325 -8.986 801 HB2 ARG 109 2HB ARG 109 -0.729 6.884 -11.026 802 HB3 ARG 109 1HB ARG 109 -2.353 6.287 -10.740 803 HG2 ARG 109 2HG ARG 109 -1.853 9.218 -11.027 804 HG3 ARG 109 1HG ARG 109 -1.985 8.181 -12.450 805 HD2 ARG 109 2HD ARG 109 -4.174 7.360 -11.461 806 HD3 ARG 109 1HD ARG 109 -4.048 8.702 -10.320 807 HE ARG 109 HE ARG 109 -3.775 9.940 -12.690 808 HH11 ARG 109 1HH1 ARG 109 -6.112 7.637 -11.515 809 HH12 ARG 109 2HH1 ARG 109 -7.393 8.233 -12.518 810 HH21 ARG 109 1HH2 ARG 109 -5.454 10.726 -14.014 811 HH22 ARG 109 2HH2 ARG 109 -7.017 9.987 -13.938 812 H PHE 110 H PHE 110 -3.467 5.785 -9.153 813 HA PHE 110 HA PHE 110 -5.709 7.219 -8.638 814 HB2 PHE 110 2HB PHE 110 -4.920 4.451 -7.755 815 HB3 PHE 110 1HB PHE 110 -6.494 5.122 -7.325 816 HD1 PHE 110 2HD PHE 110 -4.375 3.947 -10.069 817 HD2 PHE 110 1HD PHE 110 -8.202 5.457 -8.986 818 HE1 PHE 110 2HE PHE 110 -5.257 3.271 -12.263 819 HE2 PHE 110 1HE PHE 110 -9.092 4.782 -11.179 820 HZ PHE 110 HZ PHE 110 -7.619 3.689 -12.821 821 H ILE 111 H ILE 111 -3.408 5.997 -6.242 822 HA ILE 111 HA ILE 111 -4.752 6.952 -3.960 823 HB ILE 111 HB ILE 111 -1.801 6.480 -4.414 824 HG12 ILE 111 2HG1 ILE 111 -3.825 4.789 -2.940 825 HG13 ILE 111 1HG1 ILE 111 -3.378 4.529 -4.616 826 HG21 ILE 111 1HG2 ILE 111 -1.603 6.460 -1.974 827 HG22 ILE 111 2HG2 ILE 111 -3.299 6.924 -1.837 828 HG23 ILE 111 3HG2 ILE 111 -2.137 8.032 -2.572 829 HD11 ILE 111 3HD1 ILE 111 -1.546 4.355 -2.241 830 HD12 ILE 111 1HD1 ILE 111 -1.057 4.148 -3.923 831 HD13 ILE 111 2HD1 ILE 111 -2.181 3.007 -3.183 832 H GLU 112 H GLU 112 -1.985 8.320 -5.739 833 HA GLU 112 HA GLU 112 -1.780 10.731 -4.398 834 HB2 GLU 112 2HB GLU 112 -0.195 9.844 -6.136 835 HB3 GLU 112 1HB GLU 112 -1.357 10.336 -7.364 836 HG2 GLU 112 2HG GLU 112 -1.122 12.654 -6.688 837 HG3 GLU 112 1HG GLU 112 -0.003 12.184 -5.410 838 H ILE 113 H ILE 113 -4.227 9.601 -6.461 839 HA ILE 113 HA ILE 113 -5.200 12.223 -7.205 840 HB ILE 113 HB ILE 113 -5.670 9.463 -8.066 841 HG12 ILE 113 2HG1 ILE 113 -5.925 10.540 -10.239 842 HG13 ILE 113 1HG1 ILE 113 -5.986 12.121 -9.471 843 HG21 ILE 113 1HG2 ILE 113 -7.915 9.921 -8.985 844 HG22 ILE 113 2HG2 ILE 113 -7.983 11.384 -8.000 845 HG23 ILE 113 3HG2 ILE 113 -7.877 9.802 -7.228 846 HD11 ILE 113 3HD1 ILE 113 -3.627 10.255 -9.410 847 HD12 ILE 113 1HD1 ILE 113 -3.694 11.885 -8.741 848 HD13 ILE 113 2HD1 ILE 113 -3.809 11.641 -10.484 849 H ASN 114 H ASN 114 -6.109 9.572 -5.032 850 HA ASN 114 HA ASN 114 -8.155 11.363 -3.897 851 HB2 ASN 114 2HB ASN 114 -8.323 8.371 -4.260 852 HB3 ASN 114 1HB ASN 114 -9.467 9.322 -3.315 853 HD21 ASN 114 1HD2 ASN 114 -9.394 11.596 -5.093 854 HD22 ASN 114 2HD2 ASN 114 -10.272 11.143 -6.511 855 H SER 115 H SER 115 -5.360 10.979 -3.056 856 HA SER 115 HA SER 115 -5.527 9.501 -0.577 857 HB2 SER 115 2HB SER 115 -3.208 10.195 -0.235 858 HB3 SER 115 1HB SER 115 -3.418 9.588 -1.877 859 HG SER 115 HG SER 115 -2.273 11.488 -2.000 860 H LEU 116 H LEU 116 -7.494 11.386 -0.638 861 HA LEU 116 HA LEU 116 -6.598 13.691 0.899 862 HB2 LEU 116 2HB LEU 116 -9.371 12.984 -0.046 863 HB3 LEU 116 1HB LEU 116 -8.848 14.525 0.610 864 HG LEU 116 HG LEU 116 -7.920 13.324 -1.999 865 HD11 LEU 116 1HD1 LEU 116 -10.211 14.045 -2.156 866 HD12 LEU 116 2HD1 LEU 116 -9.178 15.196 -3.004 867 HD13 LEU 116 3HD1 LEU 116 -9.815 15.591 -1.408 868 HD21 LEU 116 3HD2 LEU 116 -6.189 14.685 -0.951 869 HD22 LEU 116 1HD2 LEU 116 -7.336 16.011 -0.755 870 HD23 LEU 116 2HD2 LEU 116 -6.852 15.493 -2.371 Start of MODEL 11 1 H GLU 1 H GLU 1 12.409 -7.952 13.916 2 HA GLU 1 HA GLU 1 14.221 -6.611 15.634 3 HB2 GLU 1 2HB GLU 1 13.737 -9.484 16.447 4 HB3 GLU 1 1HB GLU 1 14.977 -8.421 17.096 5 HG2 GLU 1 2HG GLU 1 13.247 -6.962 18.016 6 HG3 GLU 1 1HG GLU 1 12.004 -8.027 17.363 7 H VAL 2 H VAL 2 16.047 -6.550 14.506 8 HA VAL 2 HA VAL 2 16.938 -8.940 13.075 9 HB VAL 2 HB VAL 2 15.675 -7.609 11.429 10 HG11 VAL 2 1HG1 VAL 2 17.729 -5.463 11.943 11 HG12 VAL 2 2HG1 VAL 2 16.033 -5.397 12.425 12 HG13 VAL 2 3HG1 VAL 2 16.464 -5.427 10.715 13 HG21 VAL 2 3HG2 VAL 2 17.536 -8.968 10.667 14 HG22 VAL 2 1HG2 VAL 2 18.656 -7.641 10.977 15 HG23 VAL 2 2HG2 VAL 2 17.433 -7.485 9.717 16 H GLU 3 H GLU 3 19.086 -9.248 13.170 17 HA GLU 3 HA GLU 3 20.696 -7.127 14.414 18 HB2 GLU 3 2HB GLU 3 21.171 -10.108 14.258 19 HB3 GLU 3 1HB GLU 3 22.264 -8.956 15.012 20 HG2 GLU 3 2HG GLU 3 20.622 -8.402 16.673 21 HG3 GLU 3 1HG GLU 3 19.416 -9.406 15.871 22 H LYS 4 H LYS 4 20.112 -8.591 11.468 23 HA LYS 4 HA LYS 4 22.785 -8.520 10.417 24 HB2 LYS 4 2HB LYS 4 20.105 -8.794 9.047 25 HB3 LYS 4 1HB LYS 4 21.658 -8.954 8.238 26 HG2 LYS 4 2HG LYS 4 22.202 -10.877 9.628 27 HG3 LYS 4 1HG LYS 4 20.664 -10.707 10.476 28 HD2 LYS 4 2HD LYS 4 20.444 -12.437 8.824 29 HD3 LYS 4 1HD LYS 4 19.497 -11.040 8.306 30 HE2 LYS 4 2HE LYS 4 21.337 -10.366 6.821 31 HE3 LYS 4 1HE LYS 4 22.252 -11.787 7.325 32 HZ1 LYS 4 3HZ LYS 4 19.644 -11.800 5.900 33 HZ2 LYS 4 1HZ LYS 4 20.476 -13.179 6.420 34 HZ3 LYS 4 2HZ LYS 4 21.150 -12.185 5.229 35 H SER 5 H SER 5 23.545 -7.112 8.765 36 HA SER 5 HA SER 5 22.485 -4.401 9.031 37 HB2 SER 5 2HB SER 5 25.076 -5.382 7.807 38 HB3 SER 5 1HB SER 5 24.620 -3.692 8.022 39 HG SER 5 HG SER 5 25.077 -3.824 10.083 40 H SER 6 H SER 6 21.194 -3.589 7.526 41 HA SER 6 HA SER 6 21.639 -4.254 4.724 42 HB2 SER 6 2HB SER 6 18.957 -4.632 6.081 43 HB3 SER 6 1HB SER 6 19.251 -4.757 4.346 44 HG SER 6 HG SER 6 20.933 -6.387 5.134 45 H ASP 7 H ASP 7 21.648 -2.439 3.593 46 HA ASP 7 HA ASP 7 20.011 -0.179 4.542 47 HB2 ASP 7 2HB ASP 7 22.423 0.226 4.859 48 HB3 ASP 7 1HB ASP 7 22.688 -0.046 3.139 49 H GLY 8 H GLY 8 18.261 -0.437 3.220 50 HA2 GLY 8 2HA GLY 8 17.362 0.474 1.158 51 HA3 GLY 8 1HA GLY 8 18.787 -0.137 0.331 52 HA PRO 9 HA PRO 9 16.427 -3.655 -0.946 53 HB2 PRO 9 2HB PRO 9 18.904 -5.243 -0.609 54 HB3 PRO 9 1HB PRO 9 17.908 -5.005 -2.049 55 HG2 PRO 9 2HG PRO 9 20.288 -3.820 -1.814 56 HG3 PRO 9 1HG PRO 9 18.920 -2.985 -2.572 57 HD2 PRO 9 2HD PRO 9 20.055 -2.657 0.180 58 HD3 PRO 9 1HD PRO 9 19.460 -1.421 -0.950 59 H GLY 10 H GLY 10 15.150 -5.050 0.124 60 HA2 GLY 10 2HA GLY 10 15.752 -7.030 1.863 61 HA3 GLY 10 1HA GLY 10 15.711 -5.615 2.904 62 H ALA 11 H ALA 11 13.706 -4.338 2.913 63 HA ALA 11 HA ALA 11 11.297 -5.324 1.816 64 HB1 ALA 11 1HB ALA 11 11.713 -5.971 4.735 65 HB2 ALA 11 2HB ALA 11 11.640 -7.144 3.421 66 HB3 ALA 11 3HB ALA 11 10.217 -6.184 3.825 67 H ALA 12 H ALA 12 12.804 -3.636 4.516 68 HA ALA 12 HA ALA 12 12.468 -1.599 5.445 69 HB1 ALA 12 1HB ALA 12 10.884 -0.852 3.007 70 HB2 ALA 12 2HB ALA 12 12.641 -1.002 2.986 71 HB3 ALA 12 3HB ALA 12 11.869 0.184 4.043 72 H GLN 13 H GLN 13 9.419 -1.544 3.651 73 HA GLN 13 HA GLN 13 7.949 -2.087 6.123 74 HB2 GLN 13 2HB GLN 13 6.446 -0.153 5.668 75 HB3 GLN 13 1HB GLN 13 8.086 0.313 6.098 76 HG2 GLN 13 2HG GLN 13 8.574 0.608 3.684 77 HG3 GLN 13 1HG GLN 13 6.874 0.285 3.341 78 HE21 GLN 13 1HE2 GLN 13 5.961 1.661 5.749 79 HE22 GLN 13 2HE2 GLN 13 6.131 3.349 5.428 80 H GLU 14 H GLU 14 5.969 -3.046 5.846 81 HA GLU 14 HA GLU 14 5.117 -3.551 3.074 82 HB2 GLU 14 2HB GLU 14 4.654 -5.844 3.575 83 HB3 GLU 14 1HB GLU 14 6.299 -5.514 4.100 84 HG2 GLU 14 2HG GLU 14 5.450 -5.235 6.412 85 HG3 GLU 14 1HG GLU 14 3.853 -5.717 5.838 86 HA PRO 15 HA PRO 15 1.071 -2.336 4.318 87 HB2 PRO 15 2HB PRO 15 -0.526 -4.088 2.958 88 HB3 PRO 15 1HB PRO 15 0.297 -2.716 2.206 89 HG2 PRO 15 2HG PRO 15 1.049 -5.601 2.228 90 HG3 PRO 15 1HG PRO 15 1.174 -4.414 0.917 91 HD2 PRO 15 2HD PRO 15 3.296 -5.195 2.426 92 HD3 PRO 15 1HD PRO 15 3.166 -3.585 1.691 93 H THR 16 H THR 16 -0.338 -2.678 5.928 94 HA THR 16 HA THR 16 0.062 -4.642 7.845 95 HB THR 16 HB THR 16 -2.528 -3.158 7.375 96 HG1 THR 16 1HG THR 16 -1.579 -1.436 8.222 97 HG21 THR 16 3HG2 THR 16 -1.296 -4.298 9.884 98 HG22 THR 16 1HG2 THR 16 -2.670 -4.976 9.012 99 HG23 THR 16 2HG2 THR 16 -2.812 -3.401 9.792 100 H TRP 17 H TRP 17 -1.170 -6.430 8.514 101 HA TRP 17 HA TRP 17 -2.430 -7.866 6.295 102 HB2 TRP 17 2HB TRP 17 -1.389 -8.844 8.961 103 HB3 TRP 17 1HB TRP 17 -2.128 -9.872 7.737 104 HD1 TRP 17 HD TRP 17 0.987 -7.625 8.203 105 HE1 TRP 17 1HE TRP 17 2.861 -8.541 6.696 106 HE3 TRP 17 3HE TRP 17 -1.625 -11.308 5.808 107 HZ2 TRP 17 2HZ TRP 17 3.191 -10.560 4.751 108 HZ3 TRP 17 3HZ TRP 17 -0.458 -12.690 4.140 109 HH2 TRP 17 HH TRP 17 1.900 -12.321 3.622 110 H LEU 18 H LEU 18 -4.465 -6.848 6.360 111 HA LEU 18 HA LEU 18 -6.044 -6.942 8.793 112 HB2 LEU 18 2HB LEU 18 -6.881 -6.145 6.004 113 HB3 LEU 18 1HB LEU 18 -7.742 -5.807 7.495 114 HG LEU 18 HG LEU 18 -5.018 -4.706 6.817 115 HD11 LEU 18 1HD1 LEU 18 -6.673 -3.810 5.304 116 HD12 LEU 18 2HD1 LEU 18 -6.187 -2.579 6.470 117 HD13 LEU 18 3HD1 LEU 18 -7.729 -3.413 6.658 118 HD21 LEU 18 3HD2 LEU 18 -6.936 -4.147 9.070 119 HD22 LEU 18 1HD2 LEU 18 -5.515 -3.170 8.705 120 HD23 LEU 18 2HD2 LEU 18 -5.326 -4.855 9.189 121 H THR 19 H THR 19 -5.807 -9.331 8.882 122 HA THR 19 HA THR 19 -7.071 -10.986 6.945 123 HB THR 19 HB THR 19 -6.757 -12.802 8.526 124 HG1 THR 19 1HG THR 19 -5.611 -11.992 10.586 125 HG21 THR 19 3HG2 THR 19 -4.327 -12.620 8.858 126 HG22 THR 19 1HG2 THR 19 -4.415 -10.896 8.493 127 HG23 THR 19 2HG2 THR 19 -4.810 -12.083 7.249 128 H ASP 20 H ASP 20 -8.489 -8.857 9.012 129 HA ASP 20 HA ASP 20 -10.989 -10.360 8.922 130 HB2 ASP 20 2HB ASP 20 -9.815 -9.218 11.462 131 HB3 ASP 20 1HB ASP 20 -11.489 -9.739 11.302 132 H VAL 21 H VAL 21 -12.857 -9.121 8.957 133 HA VAL 21 HA VAL 21 -12.755 -6.640 7.722 134 HB VAL 21 HB VAL 21 -15.027 -7.682 9.419 135 HG11 VAL 21 1HG1 VAL 21 -15.267 -5.329 8.880 136 HG12 VAL 21 2HG1 VAL 21 -16.427 -6.286 7.956 137 HG13 VAL 21 3HG1 VAL 21 -14.971 -5.666 7.175 138 HG21 VAL 21 3HG2 VAL 21 -14.379 -9.332 7.763 139 HG22 VAL 21 1HG2 VAL 21 -14.425 -8.108 6.494 140 HG23 VAL 21 2HG2 VAL 21 -15.911 -8.589 7.309 141 HA PRO 22 HA PRO 22 -13.674 -4.646 12.113 142 HB2 PRO 22 2HB PRO 22 -12.424 -6.026 14.153 143 HB3 PRO 22 1HB PRO 22 -14.150 -6.112 13.790 144 HG2 PRO 22 2HG PRO 22 -11.950 -7.980 13.005 145 HG3 PRO 22 1HG PRO 22 -13.596 -8.353 13.555 146 HD2 PRO 22 2HD PRO 22 -12.941 -8.487 10.970 147 HD3 PRO 22 1HD PRO 22 -14.529 -7.877 11.480 148 H ALA 23 H ALA 23 -10.697 -6.604 11.876 149 HA ALA 23 HA ALA 23 -8.989 -4.621 12.920 150 HB1 ALA 23 1HB ALA 23 -8.362 -6.995 12.811 151 HB2 ALA 23 2HB ALA 23 -7.158 -5.964 12.040 152 HB3 ALA 23 3HB ALA 23 -8.291 -6.886 11.051 153 H ALA 24 H ALA 24 -10.194 -5.310 9.740 154 HA ALA 24 HA ALA 24 -8.432 -3.657 8.264 155 HB1 ALA 24 1HB ALA 24 -10.174 -3.755 6.499 156 HB2 ALA 24 2HB ALA 24 -11.255 -4.547 7.646 157 HB3 ALA 24 3HB ALA 24 -9.765 -5.346 7.145 158 H MET 25 H MET 25 -11.809 -3.123 9.249 159 HA MET 25 HA MET 25 -11.944 -0.416 8.559 160 HB2 MET 25 2HB MET 25 -13.518 -1.809 10.727 161 HB3 MET 25 1HB MET 25 -13.973 -0.340 9.873 162 HG2 MET 25 2HG MET 25 -14.055 -1.659 7.773 163 HG3 MET 25 1HG MET 25 -13.763 -3.111 8.725 164 HE1 MET 25 3HE MET 25 -16.958 -3.234 10.997 165 HE2 MET 25 1HE MET 25 -15.411 -2.479 11.375 166 HE3 MET 25 2HE MET 25 -15.453 -4.043 10.562 167 H GLU 26 H GLU 26 -10.597 -2.002 11.346 168 HA GLU 26 HA GLU 26 -10.633 0.290 13.051 169 HB2 GLU 26 2HB GLU 26 -9.286 -2.379 13.140 170 HB3 GLU 26 1HB GLU 26 -8.748 -1.105 14.230 171 HG2 GLU 26 2HG GLU 26 -11.164 -0.878 14.935 172 HG3 GLU 26 1HG GLU 26 -11.454 -2.383 14.063 173 H PHE 27 H PHE 27 -8.065 -1.301 11.156 174 HA PHE 27 HA PHE 27 -6.070 0.574 11.706 175 HB2 PHE 27 2HB PHE 27 -6.485 -1.537 9.685 176 HB3 PHE 27 1HB PHE 27 -5.394 -0.242 9.199 177 HD1 PHE 27 1HD PHE 27 -5.952 -2.955 11.610 178 HD2 PHE 27 2HD PHE 27 -3.258 0.037 10.232 179 HE1 PHE 27 1HE PHE 27 -4.140 -3.989 12.916 180 HE2 PHE 27 2HE PHE 27 -1.441 -0.990 11.535 181 HZ PHE 27 HZ PHE 27 -1.881 -3.007 12.880 182 H ILE 28 H ILE 28 -8.680 0.559 9.372 183 HA ILE 28 HA ILE 28 -7.786 2.874 7.940 184 HB ILE 28 HB ILE 28 -10.434 1.448 8.085 185 HG12 ILE 28 2HG1 ILE 28 -8.632 1.889 5.706 186 HG13 ILE 28 1HG1 ILE 28 -8.442 0.514 6.795 187 HG21 ILE 28 1HG2 ILE 28 -9.782 3.930 6.506 188 HG22 ILE 28 2HG2 ILE 28 -10.971 3.781 7.798 189 HG23 ILE 28 3HG2 ILE 28 -11.218 2.935 6.274 190 HD11 ILE 28 3HD1 ILE 28 -9.775 0.170 4.655 191 HD12 ILE 28 1HD1 ILE 28 -11.050 1.095 5.444 192 HD13 ILE 28 2HD1 ILE 28 -10.484 -0.418 6.159 193 H ALA 29 H ALA 29 -10.023 2.271 10.602 194 HA ALA 29 HA ALA 29 -10.953 4.956 10.811 195 HB1 ALA 29 1HB ALA 29 -12.297 3.112 11.627 196 HB2 ALA 29 2HB ALA 29 -11.924 4.220 12.948 197 HB3 ALA 29 3HB ALA 29 -11.052 2.691 12.805 198 H ALA 30 H ALA 30 -8.080 3.409 11.729 199 HA ALA 30 HA ALA 30 -7.510 5.340 13.854 200 HB1 ALA 30 1HB ALA 30 -5.893 2.969 12.931 201 HB2 ALA 30 2HB ALA 30 -7.018 2.978 14.289 202 HB3 ALA 30 3HB ALA 30 -5.562 3.972 14.343 203 H THR 31 H THR 31 -7.628 5.965 10.913 204 HA THR 31 HA THR 31 -5.376 7.698 10.830 205 HB THR 31 HB THR 31 -4.194 5.643 10.235 206 HG1 THR 31 1HG THR 31 -4.586 7.563 8.178 207 HG21 THR 31 3HG2 THR 31 -4.776 4.254 8.463 208 HG22 THR 31 1HG2 THR 31 -5.823 5.466 7.727 209 HG23 THR 31 2HG2 THR 31 -6.331 4.634 9.198 210 H GLU 32 H GLU 32 -5.401 9.128 9.036 211 HA GLU 32 HA GLU 32 -7.972 9.810 8.098 212 HB2 GLU 32 2HB GLU 32 -5.771 11.218 8.369 213 HB3 GLU 32 1HB GLU 32 -5.482 10.727 6.706 214 HG2 GLU 32 2HG GLU 32 -7.517 11.760 5.985 215 HG3 GLU 32 1HG GLU 32 -7.970 12.118 7.652 216 H VAL 33 H VAL 33 -5.211 9.108 5.956 217 HA VAL 33 HA VAL 33 -7.083 7.907 4.050 218 HB VAL 33 HB VAL 33 -4.188 8.588 3.563 219 HG11 VAL 33 1HG1 VAL 33 -4.918 8.640 1.196 220 HG12 VAL 33 2HG1 VAL 33 -6.512 8.074 1.709 221 HG13 VAL 33 3HG1 VAL 33 -5.090 7.050 1.945 222 HG21 VAL 33 3HG2 VAL 33 -6.650 10.278 3.183 223 HG22 VAL 33 1HG2 VAL 33 -5.078 10.643 2.469 224 HG23 VAL 33 2HG2 VAL 33 -5.265 10.620 4.223 225 H ALA 34 H ALA 34 -7.004 5.802 3.450 226 HA ALA 34 HA ALA 34 -4.773 4.147 4.371 227 HB1 ALA 34 1HB ALA 34 -6.423 2.423 5.162 228 HB2 ALA 34 2HB ALA 34 -7.669 3.666 5.031 229 HB3 ALA 34 3HB ALA 34 -6.323 3.882 6.151 230 H VAL 35 H VAL 35 -4.069 2.900 2.793 231 HA VAL 35 HA VAL 35 -5.948 2.162 0.652 232 HB VAL 35 HB VAL 35 -2.977 2.643 0.548 233 HG11 VAL 35 1HG1 VAL 35 -3.117 1.956 -1.836 234 HG12 VAL 35 2HG1 VAL 35 -4.747 1.359 -1.535 235 HG13 VAL 35 3HG1 VAL 35 -3.372 0.619 -0.715 236 HG21 VAL 35 3HG2 VAL 35 -4.377 4.597 0.370 237 HG22 VAL 35 1HG2 VAL 35 -5.358 3.815 -0.873 238 HG23 VAL 35 2HG2 VAL 35 -3.675 4.235 -1.211 239 H ILE 36 H ILE 36 -6.318 0.086 0.273 240 HA ILE 36 HA ILE 36 -4.581 -1.896 1.563 241 HB ILE 36 HB ILE 36 -7.587 -1.824 1.777 242 HG12 ILE 36 2HG1 ILE 36 -5.653 -1.738 4.068 243 HG13 ILE 36 1HG1 ILE 36 -6.024 -0.263 3.187 244 HG21 ILE 36 1HG2 ILE 36 -5.570 -3.829 2.785 245 HG22 ILE 36 2HG2 ILE 36 -6.858 -4.104 1.612 246 HG23 ILE 36 3HG2 ILE 36 -7.258 -3.769 3.298 247 HD11 ILE 36 3HD1 ILE 36 -8.415 -0.644 3.684 248 HD12 ILE 36 1HD1 ILE 36 -7.408 -0.386 5.109 249 HD13 ILE 36 2HD1 ILE 36 -7.940 -2.015 4.686 250 H GLY 37 H GLY 37 -4.283 -3.757 0.498 251 HA2 GLY 37 2HA GLY 37 -5.512 -3.968 -2.154 252 HA3 GLY 37 1HA GLY 37 -4.015 -4.734 -1.658 253 H PHE 38 H PHE 38 -7.447 -5.016 -1.840 254 HA PHE 38 HA PHE 38 -7.573 -7.427 -0.235 255 HB2 PHE 38 2HB PHE 38 -9.660 -6.098 -1.979 256 HB3 PHE 38 1HB PHE 38 -9.947 -7.469 -0.912 257 HD1 PHE 38 1HD PHE 38 -8.757 -6.910 1.547 258 HD2 PHE 38 2HD PHE 38 -10.571 -4.163 -1.142 259 HE1 PHE 38 1HE PHE 38 -9.209 -5.384 3.422 260 HE2 PHE 38 2HE PHE 38 -11.029 -2.632 0.731 261 HZ PHE 38 HZ PHE 38 -10.345 -3.240 3.014 262 H PHE 39 H PHE 39 -6.235 -8.890 -1.233 263 HA PHE 39 HA PHE 39 -6.915 -9.633 -3.998 264 HB2 PHE 39 2HB PHE 39 -4.359 -10.270 -2.532 265 HB3 PHE 39 1HB PHE 39 -4.678 -10.444 -4.255 266 HD1 PHE 39 2HD PHE 39 -5.903 -7.904 -4.958 267 HD2 PHE 39 1HD PHE 39 -2.662 -8.726 -2.328 268 HE1 PHE 39 2HE PHE 39 -5.017 -5.647 -5.353 269 HE2 PHE 39 1HE PHE 39 -1.769 -6.467 -2.719 270 HZ PHE 39 HZ PHE 39 -2.946 -4.925 -4.234 271 H GLN 40 H GLN 40 -7.391 -11.705 -4.520 272 HA GLN 40 HA GLN 40 -8.002 -13.521 -2.343 273 HB2 GLN 40 2HB GLN 40 -8.369 -13.870 -5.331 274 HB3 GLN 40 1HB GLN 40 -9.025 -14.920 -4.081 275 HG2 GLN 40 2HG GLN 40 -10.373 -13.049 -3.241 276 HG3 GLN 40 1HG GLN 40 -9.743 -12.034 -4.538 277 HE21 GLN 40 1HE2 GLN 40 -12.486 -12.824 -3.943 278 HE22 GLN 40 2HE2 GLN 40 -13.078 -13.610 -5.364 279 H ASP 41 H ASP 41 -5.448 -12.770 -4.310 280 HA ASP 41 HA ASP 41 -3.979 -15.162 -3.547 281 HB2 ASP 41 2HB ASP 41 -5.000 -15.512 -5.865 282 HB3 ASP 41 1HB ASP 41 -3.942 -14.215 -6.420 283 H LEU 42 H LEU 42 -1.961 -14.588 -2.889 284 HA LEU 42 HA LEU 42 -1.145 -11.826 -3.389 285 HB2 LEU 42 2HB LEU 42 -0.111 -13.837 -1.395 286 HB3 LEU 42 1HB LEU 42 0.494 -12.199 -1.568 287 HG LEU 42 HG LEU 42 -2.295 -12.977 -0.725 288 HD11 LEU 42 1HD1 LEU 42 -0.577 -13.381 0.978 289 HD12 LEU 42 2HD1 LEU 42 -1.667 -12.072 1.434 290 HD13 LEU 42 3HD1 LEU 42 -0.051 -11.703 0.832 291 HD21 LEU 42 3HD2 LEU 42 -2.404 -10.934 -1.981 292 HD22 LEU 42 1HD2 LEU 42 -1.016 -10.274 -1.115 293 HD23 LEU 42 2HD2 LEU 42 -2.539 -10.542 -0.267 294 H GLU 43 H GLU 43 -0.869 -13.285 -5.612 295 HA GLU 43 HA GLU 43 2.045 -13.409 -5.908 296 HB2 GLU 43 2HB GLU 43 0.134 -15.464 -7.042 297 HB3 GLU 43 1HB GLU 43 1.865 -15.397 -7.341 298 HG2 GLU 43 2HG GLU 43 2.291 -15.804 -4.980 299 HG3 GLU 43 1HG GLU 43 0.556 -15.865 -4.678 300 H ILE 44 H ILE 44 -0.602 -11.870 -6.667 301 HA ILE 44 HA ILE 44 -0.319 -11.701 -9.554 302 HB ILE 44 HB ILE 44 -2.113 -9.877 -9.224 303 HG12 ILE 44 2HG1 ILE 44 -2.599 -11.261 -6.615 304 HG13 ILE 44 1HG1 ILE 44 -1.519 -9.877 -6.689 305 HG21 ILE 44 1HG2 ILE 44 -2.501 -12.165 -10.088 306 HG22 ILE 44 2HG2 ILE 44 -3.869 -11.521 -9.181 307 HG23 ILE 44 3HG2 ILE 44 -2.797 -12.707 -8.432 308 HD11 ILE 44 3HD1 ILE 44 -4.447 -10.001 -7.234 309 HD12 ILE 44 1HD1 ILE 44 -3.454 -8.666 -7.818 310 HD13 ILE 44 2HD1 ILE 44 -3.565 -8.988 -6.088 311 HA PRO 45 HA PRO 45 2.289 -8.153 -9.934 312 HB2 PRO 45 2HB PRO 45 0.060 -6.824 -11.404 313 HB3 PRO 45 1HB PRO 45 1.740 -7.056 -11.889 314 HG2 PRO 45 2HG PRO 45 -0.178 -8.549 -12.954 315 HG3 PRO 45 1HG PRO 45 1.386 -9.269 -12.525 316 HD2 PRO 45 2HD PRO 45 -1.240 -9.445 -11.106 317 HD3 PRO 45 1HD PRO 45 0.015 -10.683 -11.314 318 H ALA 46 H ALA 46 -0.988 -7.712 -8.830 319 HA ALA 46 HA ALA 46 -0.814 -5.006 -8.051 320 HB1 ALA 46 1HB ALA 46 -2.872 -5.345 -6.939 321 HB2 ALA 46 2HB ALA 46 -2.582 -7.079 -6.788 322 HB3 ALA 46 3HB ALA 46 -2.903 -6.375 -8.374 323 H VAL 47 H VAL 47 -0.102 -8.008 -6.303 324 HA VAL 47 HA VAL 47 0.099 -6.896 -3.749 325 HB VAL 47 HB VAL 47 1.883 -9.162 -4.561 326 HG11 VAL 47 1HG1 VAL 47 2.036 -8.409 -2.274 327 HG12 VAL 47 2HG1 VAL 47 1.246 -9.983 -2.318 328 HG13 VAL 47 3HG1 VAL 47 0.286 -8.523 -2.081 329 HG21 VAL 47 3HG2 VAL 47 -0.010 -10.696 -4.297 330 HG22 VAL 47 1HG2 VAL 47 -0.244 -9.599 -5.656 331 HG23 VAL 47 2HG2 VAL 47 -1.100 -9.318 -4.141 332 HA PRO 48 HA PRO 48 4.903 -6.365 -4.528 333 HB2 PRO 48 2HB PRO 48 4.930 -6.096 -7.481 334 HB3 PRO 48 1HB PRO 48 6.080 -6.916 -6.417 335 HG2 PRO 48 2HG PRO 48 4.396 -8.310 -7.939 336 HG3 PRO 48 1HG PRO 48 4.790 -8.840 -6.292 337 HD2 PRO 48 2HD PRO 48 2.345 -7.441 -7.299 338 HD3 PRO 48 1HD PRO 48 2.481 -8.764 -6.128 339 H ILE 49 H ILE 49 2.728 -5.007 -6.956 340 HA ILE 49 HA ILE 49 3.860 -2.451 -7.097 341 HB ILE 49 HB ILE 49 1.221 -3.616 -7.823 342 HG12 ILE 49 2HG1 ILE 49 2.994 -1.968 -9.569 343 HG13 ILE 49 1HG1 ILE 49 3.479 -3.604 -9.148 344 HG21 ILE 49 1HG2 ILE 49 0.341 -1.608 -7.119 345 HG22 ILE 49 2HG2 ILE 49 0.705 -1.288 -8.813 346 HG23 ILE 49 3HG2 ILE 49 1.791 -0.705 -7.552 347 HD11 ILE 49 3HD1 ILE 49 1.651 -4.548 -10.246 348 HD12 ILE 49 1HD1 ILE 49 2.224 -3.274 -11.324 349 HD13 ILE 49 2HD1 ILE 49 0.792 -3.009 -10.326 350 H LEU 50 H LEU 50 1.495 -3.837 -4.894 351 HA LEU 50 HA LEU 50 0.820 -1.324 -3.691 352 HB2 LEU 50 2HB LEU 50 -0.785 -3.125 -3.609 353 HB3 LEU 50 1HB LEU 50 0.359 -4.163 -2.789 354 HG LEU 50 HG LEU 50 0.310 -2.554 -0.856 355 HD11 LEU 50 1HD1 LEU 50 -1.522 -0.978 -0.702 356 HD12 LEU 50 2HD1 LEU 50 -2.072 -1.426 -2.318 357 HD13 LEU 50 3HD1 LEU 50 -0.522 -0.610 -2.107 358 HD21 LEU 50 3HD2 LEU 50 -1.594 -3.514 0.105 359 HD22 LEU 50 1HD2 LEU 50 -1.060 -4.698 -1.090 360 HD23 LEU 50 2HD2 LEU 50 -2.431 -3.640 -1.447 361 H HIS 51 H HIS 51 2.781 -4.124 -2.664 362 HA HIS 51 HA HIS 51 3.758 -3.079 -0.284 363 HB2 HIS 51 2HB HIS 51 5.004 -4.964 -2.286 364 HB3 HIS 51 1HB HIS 51 5.819 -4.523 -0.790 365 HD1 HIS 51 1HD HIS 51 2.237 -5.628 -1.502 366 HD2 HIS 51 2HD HIS 51 5.481 -6.576 0.916 367 HE1 HIS 51 1HE HIS 51 1.457 -7.519 -0.035 368 HE2 HIS 51 2HE HIS 51 3.435 -8.072 1.422 369 H SER 52 H SER 52 4.481 -2.282 -3.557 370 HA SER 52 HA SER 52 6.941 -0.889 -2.972 371 HB2 SER 52 2HB SER 52 6.642 -1.964 -5.157 372 HB3 SER 52 1HB SER 52 5.247 -0.936 -5.485 373 HG SER 52 HG SER 52 7.906 -0.392 -5.730 374 H MET 53 H MET 53 3.602 -0.001 -3.837 375 HA MET 53 HA MET 53 3.980 2.777 -3.817 376 HB2 MET 53 2HB MET 53 1.679 2.977 -3.958 377 HB3 MET 53 1HB MET 53 1.928 1.353 -4.577 378 HG2 MET 53 2HG MET 53 0.134 1.093 -3.159 379 HG3 MET 53 1HG MET 53 1.494 0.601 -2.155 380 HE1 MET 53 3HE MET 53 0.384 0.889 0.153 381 HE2 MET 53 1HE MET 53 -1.140 1.171 -0.689 382 HE3 MET 53 2HE MET 53 -0.630 2.262 0.599 383 H VAL 54 H VAL 54 3.698 0.450 -1.303 384 HA VAL 54 HA VAL 54 2.850 1.912 0.875 385 HB VAL 54 HB VAL 54 4.920 -0.265 0.714 386 HG11 VAL 54 1HG1 VAL 54 5.340 1.030 2.722 387 HG12 VAL 54 2HG1 VAL 54 4.648 -0.541 3.133 388 HG13 VAL 54 3HG1 VAL 54 3.640 0.904 3.172 389 HG21 VAL 54 3HG2 VAL 54 2.978 -1.516 1.844 390 HG22 VAL 54 1HG2 VAL 54 2.872 -1.184 0.118 391 HG23 VAL 54 2HG2 VAL 54 1.982 -0.186 1.259 392 H GLN 55 H GLN 55 6.153 1.584 -0.381 393 HA GLN 55 HA GLN 55 7.235 3.411 1.543 394 HB2 GLN 55 2HB GLN 55 8.586 2.558 -0.994 395 HB3 GLN 55 1HB GLN 55 9.307 2.988 0.553 396 HG2 GLN 55 2HG GLN 55 8.437 0.943 1.542 397 HG3 GLN 55 1HG GLN 55 7.680 0.516 0.009 398 HE21 GLN 55 1HE2 GLN 55 9.916 1.500 -1.574 399 HE22 GLN 55 2HE2 GLN 55 11.181 0.338 -1.399 400 H LYS 56 H LYS 56 5.487 3.772 -1.285 401 HA LYS 56 HA LYS 56 6.741 6.295 -2.053 402 HB2 LYS 56 2HB LYS 56 4.408 4.824 -3.289 403 HB3 LYS 56 1HB LYS 56 5.190 6.251 -3.950 404 HG2 LYS 56 2HG LYS 56 7.257 5.002 -4.243 405 HG3 LYS 56 1HG LYS 56 6.491 3.564 -3.561 406 HD2 LYS 56 2HD LYS 56 6.401 3.299 -5.907 407 HD3 LYS 56 1HD LYS 56 4.773 3.783 -5.415 408 HE2 LYS 56 2HE LYS 56 5.325 5.052 -7.349 409 HE3 LYS 56 1HE LYS 56 5.415 6.140 -5.965 410 HZ1 LYS 56 3HZ LYS 56 7.808 5.890 -5.953 411 HZ2 LYS 56 1HZ LYS 56 7.288 6.437 -7.467 412 HZ3 LYS 56 2HZ LYS 56 7.737 4.819 -7.260 413 H PHE 57 H PHE 57 4.149 5.074 -0.207 414 HA PHE 57 HA PHE 57 3.146 7.800 0.196 415 HB2 PHE 57 2HB PHE 57 1.559 5.356 -0.507 416 HB3 PHE 57 1HB PHE 57 0.826 6.671 0.410 417 HD1 PHE 57 2HD PHE 57 0.580 8.898 -0.601 418 HD2 PHE 57 1HD PHE 57 2.027 5.573 -2.830 419 HE1 PHE 57 2HE PHE 57 0.144 10.117 -2.693 420 HE2 PHE 57 1HE PHE 57 1.597 6.789 -4.925 421 HZ PHE 57 HZ PHE 57 0.654 9.062 -4.859 422 HA PRO 58 HA PRO 58 4.307 5.460 4.175 423 HB2 PRO 58 2HB PRO 58 5.299 7.855 5.232 424 HB3 PRO 58 1HB PRO 58 6.271 6.552 4.540 425 HG2 PRO 58 2HG PRO 58 5.305 9.079 3.268 426 HG3 PRO 58 1HG PRO 58 6.872 8.263 3.095 427 HD2 PRO 58 2HD PRO 58 5.053 8.064 1.175 428 HD3 PRO 58 1HD PRO 58 5.998 6.640 1.654 429 H GLY 59 H GLY 59 3.069 8.761 3.651 430 HA2 GLY 59 2HA GLY 59 1.695 9.065 6.062 431 HA3 GLY 59 1HA GLY 59 1.268 9.865 4.554 432 H VAL 60 H VAL 60 0.675 7.616 3.016 433 HA VAL 60 HA VAL 60 -2.008 7.110 3.771 434 HB VAL 60 HB VAL 60 -0.200 6.034 1.624 435 HG11 VAL 60 1HG1 VAL 60 -1.594 4.144 2.311 436 HG12 VAL 60 2HG1 VAL 60 -2.066 4.733 0.718 437 HG13 VAL 60 3HG1 VAL 60 -3.039 5.137 2.131 438 HG21 VAL 60 3HG2 VAL 60 -1.079 8.224 1.239 439 HG22 VAL 60 1HG2 VAL 60 -2.714 7.697 1.645 440 HG23 VAL 60 2HG2 VAL 60 -1.932 7.100 0.181 441 H SER 61 H SER 61 -2.961 5.268 4.639 442 HA SER 61 HA SER 61 -1.199 3.633 6.237 443 HB2 SER 61 2HB SER 61 -3.339 4.458 7.154 444 HB3 SER 61 1HB SER 61 -4.204 3.495 5.960 445 HG SER 61 HG SER 61 -2.339 2.144 7.501 446 H PHE 62 H PHE 62 -0.074 2.253 4.997 447 HA PHE 62 HA PHE 62 -1.096 0.813 2.800 448 HB2 PHE 62 2HB PHE 62 0.965 -0.700 3.338 449 HB3 PHE 62 1HB PHE 62 1.220 0.956 2.791 450 HD1 PHE 62 2HD PHE 62 1.345 -1.299 5.691 451 HD2 PHE 62 1HD PHE 62 2.137 2.625 4.246 452 HE1 PHE 62 2HE PHE 62 2.673 -0.828 7.706 453 HE2 PHE 62 1HE PHE 62 3.465 3.102 6.260 454 HZ PHE 62 HZ PHE 62 3.735 1.374 7.994 455 H GLY 63 H GLY 63 -2.279 -0.966 2.691 456 HA2 GLY 63 2HA GLY 63 -2.292 -2.849 4.926 457 HA3 GLY 63 1HA GLY 63 -3.827 -2.115 4.479 458 H ILE 64 H ILE 64 -3.442 -4.853 4.410 459 HA ILE 64 HA ILE 64 -4.151 -5.397 1.691 460 HB ILE 64 HB ILE 64 -1.519 -5.465 1.952 461 HG12 ILE 64 2HG1 ILE 64 -3.112 -7.567 0.480 462 HG13 ILE 64 1HG1 ILE 64 -2.757 -5.945 -0.098 463 HG21 ILE 64 1HG2 ILE 64 -0.686 -7.722 2.394 464 HG22 ILE 64 2HG2 ILE 64 -2.312 -8.234 2.839 465 HG23 ILE 64 3HG2 ILE 64 -1.471 -7.031 3.812 466 HD11 ILE 64 3HD1 ILE 64 -1.305 -7.555 -1.156 467 HD12 ILE 64 1HD1 ILE 64 -0.752 -8.130 0.416 468 HD13 ILE 64 2HD1 ILE 64 -0.368 -6.491 -0.109 469 H SER 65 H SER 65 -5.290 -7.321 1.488 470 HA SER 65 HA SER 65 -5.415 -9.114 3.776 471 HB2 SER 65 2HB SER 65 -7.078 -7.448 4.381 472 HB3 SER 65 1HB SER 65 -7.830 -7.581 2.793 473 HG SER 65 HG SER 65 -7.564 -9.860 4.413 474 H THR 66 H THR 66 -6.546 -11.082 3.365 475 HA THR 66 HA THR 66 -7.156 -11.652 0.556 476 HB THR 66 HB THR 66 -5.928 -13.786 0.675 477 HG1 THR 66 1HG THR 66 -4.688 -14.278 2.432 478 HG21 THR 66 3HG2 THR 66 -3.734 -12.896 0.360 479 HG22 THR 66 1HG2 THR 66 -4.110 -11.475 1.332 480 HG23 THR 66 2HG2 THR 66 -4.886 -11.700 -0.235 481 H ASP 67 H ASP 67 -8.285 -11.551 3.545 482 HA ASP 67 HA ASP 67 -9.476 -14.141 3.838 483 HB2 ASP 67 2HB ASP 67 -8.952 -12.665 5.768 484 HB3 ASP 67 1HB ASP 67 -10.196 -11.546 5.216 485 H SER 68 H SER 68 -11.544 -14.782 3.384 486 HA SER 68 HA SER 68 -12.837 -13.579 1.191 487 HB2 SER 68 2HB SER 68 -13.035 -15.967 1.634 488 HB3 SER 68 1HB SER 68 -13.866 -15.641 3.154 489 HG SER 68 HG SER 68 -15.656 -15.271 2.098 490 H GLU 69 H GLU 69 -13.753 -13.711 4.633 491 HA GLU 69 HA GLU 69 -16.149 -12.368 4.537 492 HB2 GLU 69 2HB GLU 69 -14.070 -12.018 6.694 493 HB3 GLU 69 1HB GLU 69 -15.803 -11.767 6.846 494 HG2 GLU 69 2HG GLU 69 -16.190 -14.143 6.453 495 HG3 GLU 69 1HG GLU 69 -14.453 -14.398 6.295 496 H VAL 70 H VAL 70 -12.900 -10.953 4.670 497 HA VAL 70 HA VAL 70 -13.852 -8.275 4.788 498 HB VAL 70 HB VAL 70 -11.144 -9.377 4.029 499 HG11 VAL 70 1HG1 VAL 70 -11.356 -7.259 2.931 500 HG12 VAL 70 2HG1 VAL 70 -10.343 -7.036 4.360 501 HG13 VAL 70 3HG1 VAL 70 -12.028 -6.519 4.386 502 HG21 VAL 70 3HG2 VAL 70 -10.449 -8.714 6.215 503 HG22 VAL 70 1HG2 VAL 70 -11.925 -9.664 6.392 504 HG23 VAL 70 2HG2 VAL 70 -11.985 -7.904 6.518 505 H LEU 71 H LEU 71 -12.372 -10.171 2.156 506 HA LEU 71 HA LEU 71 -12.701 -8.266 0.142 507 HB2 LEU 71 2HB LEU 71 -12.369 -11.233 0.179 508 HB3 LEU 71 1HB LEU 71 -12.812 -10.454 -1.329 509 HG LEU 71 HG LEU 71 -10.800 -9.184 -1.378 510 HD11 LEU 71 1HD1 LEU 71 -9.130 -9.299 0.428 511 HD12 LEU 71 2HD1 LEU 71 -10.279 -10.213 1.403 512 HD13 LEU 71 3HD1 LEU 71 -10.643 -8.551 0.939 513 HD21 LEU 71 3HD2 LEU 71 -9.075 -10.939 -1.326 514 HD22 LEU 71 1HD2 LEU 71 -10.548 -11.461 -2.145 515 HD23 LEU 71 2HD2 LEU 71 -10.214 -12.007 -0.501 516 H THR 72 H THR 72 -15.004 -10.087 1.820 517 HA THR 72 HA THR 72 -17.021 -9.940 -0.279 518 HB THR 72 HB THR 72 -17.194 -10.977 2.563 519 HG1 THR 72 1HG THR 72 -16.555 -12.801 1.703 520 HG21 THR 72 3HG2 THR 72 -19.355 -11.963 1.785 521 HG22 THR 72 1HG2 THR 72 -19.214 -11.000 0.313 522 HG23 THR 72 2HG2 THR 72 -19.371 -10.201 1.879 523 H HIS 73 H HIS 73 -16.269 -8.562 2.878 524 HA HIS 73 HA HIS 73 -18.592 -7.022 3.206 525 HB2 HIS 73 2HB HIS 73 -16.887 -7.517 4.985 526 HB3 HIS 73 1HB HIS 73 -15.816 -6.354 4.210 527 HD1 HIS 73 1HD HIS 73 -16.228 -3.895 4.672 528 HD2 HIS 73 2HD HIS 73 -19.169 -6.370 6.247 529 HE1 HIS 73 1HE HIS 73 -17.619 -2.422 6.163 530 HE2 HIS 73 2HE HIS 73 -19.343 -3.959 7.169 531 H TYR 74 H TYR 74 -15.618 -6.481 1.441 532 HA TYR 74 HA TYR 74 -16.474 -3.776 0.716 533 HB2 TYR 74 2HB TYR 74 -13.882 -5.273 0.381 534 HB3 TYR 74 1HB TYR 74 -14.189 -3.748 -0.445 535 HD1 TYR 74 2HD TYR 74 -13.767 -5.343 2.855 536 HD2 TYR 74 1HD TYR 74 -14.085 -1.675 0.728 537 HE1 TYR 74 2HE TYR 74 -13.024 -4.124 4.858 538 HE2 TYR 74 1HE TYR 74 -13.340 -0.445 2.723 539 HH TYR 74 HH TYR 74 -11.984 -1.989 5.434 540 H ASN 75 H ASN 75 -17.329 -6.643 -0.301 541 HA ASN 75 HA ASN 75 -18.164 -7.518 -2.225 542 HB2 ASN 75 2HB ASN 75 -18.088 -4.611 -3.048 543 HB3 ASN 75 1HB ASN 75 -18.886 -5.882 -3.972 544 HD21 ASN 75 1HD2 ASN 75 -20.893 -4.902 -3.754 545 HD22 ASN 75 2HD2 ASN 75 -21.765 -4.915 -2.263 546 H ILE 76 H ILE 76 -15.201 -7.096 -1.871 547 HA ILE 76 HA ILE 76 -13.949 -6.530 -4.304 548 HB ILE 76 HB ILE 76 -13.009 -8.513 -2.226 549 HG12 ILE 76 2HG1 ILE 76 -13.560 -6.406 -1.158 550 HG13 ILE 76 1HG1 ILE 76 -11.817 -6.595 -1.227 551 HG21 ILE 76 1HG2 ILE 76 -11.602 -6.998 -4.401 552 HG22 ILE 76 2HG2 ILE 76 -11.661 -8.740 -4.142 553 HG23 ILE 76 3HG2 ILE 76 -10.749 -7.713 -3.034 554 HD11 ILE 76 3HD1 ILE 76 -11.656 -5.027 -3.024 555 HD12 ILE 76 1HD1 ILE 76 -12.612 -4.305 -1.732 556 HD13 ILE 76 2HD1 ILE 76 -13.412 -4.944 -3.169 557 H THR 77 H THR 77 -13.878 -7.569 -6.186 558 HA THR 77 HA THR 77 -14.182 -10.474 -6.271 559 HB THR 77 HB THR 77 -15.792 -10.285 -8.183 560 HG1 THR 77 1HG THR 77 -16.439 -8.368 -8.822 561 HG21 THR 77 3HG2 THR 77 -16.596 -10.901 -5.980 562 HG22 THR 77 1HG2 THR 77 -17.768 -9.852 -6.776 563 HG23 THR 77 2HG2 THR 77 -16.713 -9.202 -5.521 564 H GLY 78 H GLY 78 -11.789 -9.558 -6.645 565 HA2 GLY 78 2HA GLY 78 -10.780 -10.423 -8.957 566 HA3 GLY 78 1HA GLY 78 -11.337 -8.825 -9.428 567 H ASN 79 H ASN 79 -9.832 -9.904 -6.397 568 HA ASN 79 HA ASN 79 -8.043 -9.096 -5.240 569 HB2 ASN 79 2HB ASN 79 -6.844 -8.776 -7.994 570 HB3 ASN 79 1HB ASN 79 -5.971 -8.978 -6.480 571 HD21 ASN 79 1HD2 ASN 79 -5.790 -10.573 -8.862 572 HD22 ASN 79 2HD2 ASN 79 -6.237 -12.183 -8.424 573 H THR 80 H THR 80 -9.975 -7.232 -5.597 574 HA THR 80 HA THR 80 -9.120 -4.798 -6.771 575 HB THR 80 HB THR 80 -11.235 -5.338 -4.677 576 HG1 THR 80 1HG THR 80 -12.612 -5.522 -6.402 577 HG21 THR 80 3HG2 THR 80 -12.216 -3.209 -5.315 578 HG22 THR 80 1HG2 THR 80 -10.909 -2.927 -6.463 579 HG23 THR 80 2HG2 THR 80 -10.569 -2.964 -4.734 580 H ILE 81 H ILE 81 -8.532 -2.852 -5.779 581 HA ILE 81 HA ILE 81 -7.360 -3.057 -3.076 582 HB ILE 81 HB ILE 81 -6.441 -1.404 -5.438 583 HG12 ILE 81 2HG1 ILE 81 -5.092 -3.604 -3.862 584 HG13 ILE 81 1HG1 ILE 81 -5.713 -3.739 -5.502 585 HG21 ILE 81 1HG2 ILE 81 -6.314 -0.108 -3.357 586 HG22 ILE 81 2HG2 ILE 81 -4.716 -0.492 -3.994 587 HG23 ILE 81 3HG2 ILE 81 -5.358 -1.396 -2.623 588 HD11 ILE 81 3HD1 ILE 81 -3.394 -2.083 -4.558 589 HD12 ILE 81 1HD1 ILE 81 -4.081 -1.986 -6.180 590 HD13 ILE 81 2HD1 ILE 81 -3.355 -3.494 -5.615 591 H CYS 82 H CYS 82 -8.486 -1.877 -1.631 592 HA CYS 82 HA CYS 82 -10.090 0.347 -2.677 593 HB2 CYS 82 2HB CYS 82 -10.425 -1.283 -0.167 594 HB3 CYS 82 1HB CYS 82 -11.428 0.100 -0.593 595 HG CYS 82 HG CYS 82 -11.260 -2.899 -2.222 596 H LEU 83 H LEU 83 -9.817 2.365 -2.043 597 HA LEU 83 HA LEU 83 -7.864 2.925 0.079 598 HB2 LEU 83 2HB LEU 83 -6.995 3.907 -1.818 599 HB3 LEU 83 1HB LEU 83 -8.570 4.275 -2.483 600 HG LEU 83 HG LEU 83 -8.831 6.170 -1.029 601 HD11 LEU 83 1HD1 LEU 83 -7.397 6.798 0.698 602 HD12 LEU 83 2HD1 LEU 83 -6.120 5.704 0.163 603 HD13 LEU 83 3HD1 LEU 83 -7.579 5.056 0.909 604 HD21 LEU 83 3HD2 LEU 83 -6.883 7.540 -1.741 605 HD22 LEU 83 1HD2 LEU 83 -7.626 6.617 -3.046 606 HD23 LEU 83 2HD2 LEU 83 -6.114 6.065 -2.324 607 H PHE 84 H PHE 84 -8.983 3.244 1.927 608 HA PHE 84 HA PHE 84 -11.493 4.740 1.837 609 HB2 PHE 84 2HB PHE 84 -11.078 2.502 3.135 610 HB3 PHE 84 1HB PHE 84 -10.350 3.556 4.342 611 HD1 PHE 84 2HD PHE 84 -11.813 5.590 5.087 612 HD2 PHE 84 1HD PHE 84 -13.336 2.082 3.221 613 HE1 PHE 84 2HE PHE 84 -14.045 6.075 6.004 614 HE2 PHE 84 1HE PHE 84 -15.570 2.561 4.132 615 HZ PHE 84 HZ PHE 84 -15.925 4.559 5.528 616 H ARG 85 H ARG 85 -11.531 6.845 2.282 617 HA ARG 85 HA ARG 85 -9.231 8.005 3.711 618 HB2 ARG 85 2HB ARG 85 -11.139 9.832 2.389 619 HB3 ARG 85 1HB ARG 85 -9.382 9.858 2.425 620 HG2 ARG 85 2HG ARG 85 -9.321 8.077 0.749 621 HG3 ARG 85 1HG ARG 85 -11.092 8.096 0.688 622 HD2 ARG 85 2HD ARG 85 -9.202 10.306 -0.100 623 HD3 ARG 85 1HD ARG 85 -10.280 9.387 -1.150 624 HE ARG 85 HE ARG 85 -11.738 10.741 0.873 625 HH11 ARG 85 1HH1 ARG 85 -10.074 11.235 -2.146 626 HH12 ARG 85 2HH1 ARG 85 -11.006 12.627 -2.582 627 HH21 ARG 85 1HH2 ARG 85 -12.970 12.579 0.309 628 HH22 ARG 85 2HH2 ARG 85 -12.648 13.395 -1.185 629 H LEU 86 H LEU 86 -10.044 7.382 5.739 630 HA LEU 86 HA LEU 86 -12.275 7.512 7.072 631 HB2 LEU 86 2HB LEU 86 -10.469 7.118 8.416 632 HB3 LEU 86 1HB LEU 86 -9.573 8.495 7.811 633 HG LEU 86 HG LEU 86 -11.080 9.985 9.127 634 HD11 LEU 86 1HD1 LEU 86 -12.436 8.989 10.904 635 HD12 LEU 86 2HD1 LEU 86 -12.061 7.378 10.288 636 HD13 LEU 86 3HD1 LEU 86 -13.004 8.501 9.308 637 HD21 LEU 86 3HD2 LEU 86 -10.081 9.409 11.315 638 HD22 LEU 86 1HD2 LEU 86 -8.913 9.418 9.993 639 HD23 LEU 86 2HD2 LEU 86 -9.522 7.885 10.624 640 H VAL 87 H VAL 87 -10.457 10.559 6.677 641 HA VAL 87 HA VAL 87 -12.146 12.325 7.850 642 HB VAL 87 HB VAL 87 -11.428 13.870 5.786 643 HG11 VAL 87 1HG1 VAL 87 -10.766 14.223 8.087 644 HG12 VAL 87 2HG1 VAL 87 -9.355 14.345 7.037 645 HG13 VAL 87 3HG1 VAL 87 -9.620 12.886 7.991 646 HG21 VAL 87 3HG2 VAL 87 -9.221 13.097 4.969 647 HG22 VAL 87 1HG2 VAL 87 -10.558 12.077 4.430 648 HG23 VAL 87 2HG2 VAL 87 -9.515 11.541 5.751 649 H ASP 88 H ASP 88 -12.328 11.507 4.373 650 HA ASP 88 HA ASP 88 -15.014 12.664 4.333 651 HB2 ASP 88 2HB ASP 88 -13.118 11.931 2.101 652 HB3 ASP 88 1HB ASP 88 -14.763 12.509 1.838 653 H ASN 89 H ASN 89 -13.988 9.877 5.211 654 HA ASN 89 HA ASN 89 -14.636 7.696 5.092 655 HB2 ASN 89 2HB ASN 89 -16.990 7.386 5.406 656 HB3 ASN 89 1HB ASN 89 -16.542 8.908 6.170 657 HD21 ASN 89 1HD2 ASN 89 -18.254 7.411 3.547 658 HD22 ASN 89 2HD2 ASN 89 -19.127 8.817 3.050 659 H GLU 90 H GLU 90 -13.838 8.846 2.496 660 HA GLU 90 HA GLU 90 -15.604 7.738 0.518 661 HB2 GLU 90 2HB GLU 90 -12.761 8.722 0.251 662 HB3 GLU 90 1HB GLU 90 -13.838 8.340 -1.084 663 HG2 GLU 90 2HG GLU 90 -14.309 10.484 0.967 664 HG3 GLU 90 1HG GLU 90 -13.665 10.742 -0.653 665 H GLN 91 H GLN 91 -15.026 6.064 -0.981 666 HA GLN 91 HA GLN 91 -12.972 4.188 -0.092 667 HB2 GLN 91 2HB GLN 91 -15.173 3.542 0.945 668 HB3 GLN 91 1HB GLN 91 -15.796 3.294 -0.680 669 HG2 GLN 91 2HG GLN 91 -13.303 1.892 0.133 670 HG3 GLN 91 1HG GLN 91 -14.853 1.300 0.728 671 HE21 GLN 91 1HE2 GLN 91 -12.801 1.706 -2.027 672 HE22 GLN 91 2HE2 GLN 91 -13.725 0.737 -3.120 673 H LEU 92 H LEU 92 -11.755 4.536 -1.888 674 HA LEU 92 HA LEU 92 -12.926 4.420 -4.533 675 HB2 LEU 92 2HB LEU 92 -10.034 4.621 -3.686 676 HB3 LEU 92 1HB LEU 92 -10.627 4.793 -5.323 677 HG LEU 92 HG LEU 92 -10.169 6.978 -4.522 678 HD11 LEU 92 1HD1 LEU 92 -12.343 8.074 -4.587 679 HD12 LEU 92 2HD1 LEU 92 -13.139 6.523 -4.319 680 HD13 LEU 92 3HD1 LEU 92 -12.228 6.801 -5.804 681 HD21 LEU 92 3HD2 LEU 92 -11.962 6.522 -2.154 682 HD22 LEU 92 1HD2 LEU 92 -10.895 7.889 -2.467 683 HD23 LEU 92 2HD2 LEU 92 -10.214 6.306 -2.096 684 H ASN 93 H ASN 93 -13.320 2.519 -5.488 685 HA ASN 93 HA ASN 93 -11.809 0.183 -4.583 686 HB2 ASN 93 2HB ASN 93 -13.619 -1.001 -6.059 687 HB3 ASN 93 1HB ASN 93 -14.052 -0.378 -4.473 688 HD21 ASN 93 1HD2 ASN 93 -14.339 0.054 -7.906 689 HD22 ASN 93 2HD2 ASN 93 -15.634 1.196 -7.861 690 H LEU 94 H LEU 94 -10.029 -0.184 -5.672 691 HA LEU 94 HA LEU 94 -9.891 0.267 -8.557 692 HB2 LEU 94 2HB LEU 94 -8.083 0.953 -6.806 693 HB3 LEU 94 1HB LEU 94 -7.656 -0.747 -6.810 694 HG LEU 94 HG LEU 94 -7.767 0.618 -9.441 695 HD11 LEU 94 1HD1 LEU 94 -5.585 1.063 -7.405 696 HD12 LEU 94 2HD1 LEU 94 -6.628 2.292 -8.125 697 HD13 LEU 94 3HD1 LEU 94 -5.453 1.437 -9.124 698 HD21 LEU 94 3HD2 LEU 94 -5.887 -1.376 -8.181 699 HD22 LEU 94 1HD2 LEU 94 -5.876 -0.855 -9.867 700 HD23 LEU 94 2HD2 LEU 94 -7.247 -1.762 -9.234 701 H GLU 95 H GLU 95 -11.402 -1.458 -8.965 702 HA GLU 95 HA GLU 95 -10.798 -4.141 -8.142 703 HB2 GLU 95 2HB GLU 95 -12.847 -3.224 -10.148 704 HB3 GLU 95 1HB GLU 95 -12.806 -4.762 -9.298 705 HG2 GLU 95 2HG GLU 95 -13.234 -3.677 -7.203 706 HG3 GLU 95 1HG GLU 95 -13.124 -2.088 -7.957 707 H ASP 96 H ASP 96 -11.563 -5.625 -10.307 708 HA ASP 96 HA ASP 96 -9.194 -6.248 -11.551 709 HB2 ASP 96 2HB ASP 96 -11.081 -7.769 -11.510 710 HB3 ASP 96 1HB ASP 96 -12.003 -6.702 -12.566 711 H GLU 97 H GLU 97 -11.708 -4.038 -12.722 712 HA GLU 97 HA GLU 97 -10.784 -3.615 -15.303 713 HB2 GLU 97 2HB GLU 97 -12.897 -2.693 -14.464 714 HB3 GLU 97 1HB GLU 97 -12.014 -1.596 -13.413 715 HG2 GLU 97 2HG GLU 97 -12.818 -0.428 -15.365 716 HG3 GLU 97 1HG GLU 97 -11.056 -0.494 -15.377 717 H ASP 98 H ASP 98 -9.301 -2.884 -12.362 718 HA ASP 98 HA ASP 98 -7.266 -1.265 -13.723 719 HB2 ASP 98 2HB ASP 98 -8.359 -0.856 -10.927 720 HB3 ASP 98 1HB ASP 98 -6.967 -0.005 -11.597 721 H ILE 99 H ILE 99 -7.964 -4.012 -11.855 722 HA ILE 99 HA ILE 99 -5.301 -4.231 -10.695 723 HB ILE 99 HB ILE 99 -7.736 -6.006 -10.494 724 HG12 ILE 99 2HG1 ILE 99 -7.733 -3.829 -9.271 725 HG13 ILE 99 1HG1 ILE 99 -7.880 -5.240 -8.234 726 HG21 ILE 99 1HG2 ILE 99 -5.001 -6.380 -9.283 727 HG22 ILE 99 2HG2 ILE 99 -5.851 -7.472 -10.379 728 HG23 ILE 99 3HG2 ILE 99 -6.448 -7.225 -8.737 729 HD11 ILE 99 3HD1 ILE 99 -5.467 -5.053 -7.729 730 HD12 ILE 99 1HD1 ILE 99 -6.410 -3.651 -7.221 731 HD13 ILE 99 2HD1 ILE 99 -5.421 -3.568 -8.680 732 H GLU 100 H GLU 100 -7.303 -5.818 -13.144 733 HA GLU 100 HA GLU 100 -5.735 -7.998 -13.772 734 HB2 GLU 100 2HB GLU 100 -7.945 -7.600 -14.754 735 HB3 GLU 100 1HB GLU 100 -7.300 -6.251 -15.679 736 HG2 GLU 100 2HG GLU 100 -5.861 -7.767 -16.921 737 HG3 GLU 100 1HG GLU 100 -6.454 -9.127 -15.970 738 H SER 101 H SER 101 -5.285 -4.637 -14.646 739 HA SER 101 HA SER 101 -2.655 -5.338 -15.759 740 HB2 SER 101 2HB SER 101 -4.550 -3.259 -16.885 741 HB3 SER 101 1HB SER 101 -2.917 -3.585 -17.467 742 HG SER 101 HG SER 101 -5.257 -5.050 -17.801 743 H ILE 102 H ILE 102 -3.173 -4.596 -13.120 744 HA ILE 102 HA ILE 102 -2.842 -1.824 -12.654 745 HB ILE 102 HB ILE 102 -3.750 -3.326 -10.948 746 HG12 ILE 102 2HG1 ILE 102 -2.302 -2.497 -9.029 747 HG13 ILE 102 1HG1 ILE 102 -1.219 -1.835 -10.248 748 HG21 ILE 102 1HG2 ILE 102 -2.580 -5.332 -11.125 749 HG22 ILE 102 2HG2 ILE 102 -1.975 -4.647 -9.619 750 HG23 ILE 102 3HG2 ILE 102 -1.007 -4.537 -11.088 751 HD11 ILE 102 3HD1 ILE 102 -2.683 -0.118 -9.413 752 HD12 ILE 102 1HD1 ILE 102 -4.097 -1.085 -9.826 753 HD13 ILE 102 2HD1 ILE 102 -3.061 -0.456 -11.103 754 H ASP 103 H ASP 103 -1.062 -0.637 -12.137 755 HA ASP 103 HA ASP 103 1.573 -1.899 -12.285 756 HB2 ASP 103 2HB ASP 103 0.831 0.605 -13.814 757 HB3 ASP 103 1HB ASP 103 2.424 -0.145 -13.751 758 H ALA 104 H ALA 104 3.176 -0.806 -11.059 759 HA ALA 104 HA ALA 104 2.412 0.347 -8.705 760 HB1 ALA 104 1HB ALA 104 4.648 -0.453 -9.048 761 HB2 ALA 104 2HB ALA 104 4.698 1.225 -8.504 762 HB3 ALA 104 3HB ALA 104 4.972 0.841 -10.204 763 H THR 105 H THR 105 2.969 1.934 -11.779 764 HA THR 105 HA THR 105 2.860 4.604 -10.909 765 HB THR 105 HB THR 105 2.008 3.435 -13.563 766 HG1 THR 105 1HG THR 105 4.443 3.995 -12.419 767 HG21 THR 105 3HG2 THR 105 2.535 6.274 -12.711 768 HG22 THR 105 1HG2 THR 105 1.021 5.599 -13.315 769 HG23 THR 105 2HG2 THR 105 2.409 5.752 -14.393 770 H LYS 106 H LYS 106 0.331 2.431 -12.123 771 HA LYS 106 HA LYS 106 -1.808 4.219 -11.983 772 HB2 LYS 106 2HB LYS 106 -1.864 1.219 -11.600 773 HB3 LYS 106 1HB LYS 106 -3.245 2.233 -11.999 774 HG2 LYS 106 2HG LYS 106 -2.305 2.775 -14.135 775 HG3 LYS 106 1HG LYS 106 -0.805 1.936 -13.734 776 HD2 LYS 106 2HD LYS 106 -2.066 0.469 -15.123 777 HD3 LYS 106 1HD LYS 106 -2.175 -0.163 -13.480 778 HE2 LYS 106 2HE LYS 106 -4.365 0.979 -13.244 779 HE3 LYS 106 1HE LYS 106 -4.257 1.460 -14.937 780 HZ1 LYS 106 3HZ LYS 106 -4.355 -1.323 -13.903 781 HZ2 LYS 106 1HZ LYS 106 -4.164 -0.902 -15.531 782 HZ3 LYS 106 2HZ LYS 106 -5.596 -0.513 -14.719 783 H LEU 107 H LEU 107 -1.037 1.615 -9.638 784 HA LEU 107 HA LEU 107 -2.866 2.246 -7.694 785 HB2 LEU 107 2HB LEU 107 -0.684 0.552 -7.869 786 HB3 LEU 107 1HB LEU 107 -0.246 1.618 -6.552 787 HG LEU 107 HG LEU 107 -2.487 -0.361 -6.712 788 HD11 LEU 107 1HD1 LEU 107 -1.633 -0.808 -4.374 789 HD12 LEU 107 2HD1 LEU 107 -0.295 0.279 -4.756 790 HD13 LEU 107 3HD1 LEU 107 -0.531 -1.195 -5.694 791 HD21 LEU 107 3HD2 LEU 107 -3.622 1.679 -6.070 792 HD22 LEU 107 1HD2 LEU 107 -2.397 2.010 -4.846 793 HD23 LEU 107 2HD2 LEU 107 -3.467 0.619 -4.670 794 H SER 108 H SER 108 0.489 3.442 -7.847 795 HA SER 108 HA SER 108 0.322 5.231 -5.710 796 HB2 SER 108 2HB SER 108 2.033 5.411 -8.200 797 HB3 SER 108 1HB SER 108 2.298 6.325 -6.714 798 HG SER 108 HG SER 108 2.213 3.495 -6.793 799 H ARG 109 H ARG 109 -0.699 5.533 -9.032 800 HA ARG 109 HA ARG 109 -1.031 8.349 -9.031 801 HB2 ARG 109 2HB ARG 109 -0.810 6.934 -11.084 802 HB3 ARG 109 1HB ARG 109 -2.414 6.300 -10.768 803 HG2 ARG 109 2HG ARG 109 -1.984 9.243 -11.049 804 HG3 ARG 109 1HG ARG 109 -2.126 8.212 -12.474 805 HD2 ARG 109 2HD ARG 109 -4.271 7.332 -11.431 806 HD3 ARG 109 1HD ARG 109 -4.149 8.685 -10.299 807 HE ARG 109 HE ARG 109 -3.975 9.935 -12.660 808 HH11 ARG 109 1HH1 ARG 109 -6.178 7.496 -11.510 809 HH12 ARG 109 2HH1 ARG 109 -7.493 8.030 -12.502 810 HH21 ARG 109 1HH2 ARG 109 -5.700 10.647 -13.973 811 HH22 ARG 109 2HH2 ARG 109 -7.220 9.818 -13.905 812 H PHE 110 H PHE 110 -3.509 5.797 -9.173 813 HA PHE 110 HA PHE 110 -5.744 7.224 -8.613 814 HB2 PHE 110 2HB PHE 110 -4.958 4.448 -7.750 815 HB3 PHE 110 1HB PHE 110 -6.538 5.121 -7.346 816 HD1 PHE 110 2HD PHE 110 -8.142 5.672 -9.131 817 HD2 PHE 110 1HD PHE 110 -4.445 3.733 -9.958 818 HE1 PHE 110 2HE PHE 110 -8.991 5.000 -11.341 819 HE2 PHE 110 1HE PHE 110 -5.287 3.058 -12.167 820 HZ PHE 110 HZ PHE 110 -7.562 3.692 -12.862 821 H ILE 111 H ILE 111 -3.383 6.025 -6.263 822 HA ILE 111 HA ILE 111 -4.737 6.951 -3.961 823 HB ILE 111 HB ILE 111 -1.787 6.470 -4.425 824 HG12 ILE 111 2HG1 ILE 111 -3.825 4.808 -2.932 825 HG13 ILE 111 1HG1 ILE 111 -3.345 4.514 -4.597 826 HG21 ILE 111 1HG2 ILE 111 -1.567 6.483 -1.988 827 HG22 ILE 111 2HG2 ILE 111 -3.261 6.946 -1.840 828 HG23 ILE 111 3HG2 ILE 111 -2.109 8.048 -2.599 829 HD11 ILE 111 3HD1 ILE 111 -1.033 4.165 -3.839 830 HD12 ILE 111 1HD1 ILE 111 -2.171 3.020 -3.128 831 HD13 ILE 111 2HD1 ILE 111 -1.575 4.379 -2.173 832 H GLU 112 H GLU 112 -1.998 8.325 -5.772 833 HA GLU 112 HA GLU 112 -1.759 10.732 -4.427 834 HB2 GLU 112 2HB GLU 112 -0.236 9.811 -6.226 835 HB3 GLU 112 1HB GLU 112 -1.413 10.373 -7.409 836 HG2 GLU 112 2HG GLU 112 0.224 12.037 -7.336 837 HG3 GLU 112 1HG GLU 112 -1.115 12.678 -6.386 838 H ILE 113 H ILE 113 -4.243 9.602 -6.446 839 HA ILE 113 HA ILE 113 -5.253 12.230 -7.136 840 HB ILE 113 HB ILE 113 -5.747 9.464 -8.020 841 HG12 ILE 113 2HG1 ILE 113 -5.930 10.554 -10.200 842 HG13 ILE 113 1HG1 ILE 113 -5.931 12.136 -9.424 843 HG21 ILE 113 1HG2 ILE 113 -7.953 9.931 -8.941 844 HG22 ILE 113 2HG2 ILE 113 -7.986 11.470 -8.080 845 HG23 ILE 113 3HG2 ILE 113 -7.955 9.955 -7.180 846 HD11 ILE 113 3HD1 ILE 113 -3.660 11.766 -8.642 847 HD12 ILE 113 1HD1 ILE 113 -3.763 11.591 -10.395 848 HD13 ILE 113 2HD1 ILE 113 -3.662 10.159 -9.371 849 H ASN 114 H ASN 114 -6.111 9.512 -5.016 850 HA ASN 114 HA ASN 114 -8.217 11.226 -3.864 851 HB2 ASN 114 2HB ASN 114 -8.177 8.208 -4.000 852 HB3 ASN 114 1HB ASN 114 -9.405 9.175 -3.188 853 HD21 ASN 114 1HD2 ASN 114 -10.601 10.710 -4.545 854 HD22 ASN 114 2HD2 ASN 114 -10.956 10.260 -6.176 855 H SER 115 H SER 115 -5.351 11.007 -3.094 856 HA SER 115 HA SER 115 -5.391 9.652 -0.546 857 HB2 SER 115 2HB SER 115 -3.100 10.507 -0.297 858 HB3 SER 115 1HB SER 115 -3.324 9.752 -1.876 859 HG SER 115 HG SER 115 -3.923 12.167 -2.364 860 H LEU 116 H LEU 116 -7.456 11.369 -0.526 861 HA LEU 116 HA LEU 116 -6.613 13.780 0.893 862 HB2 LEU 116 2HB LEU 116 -9.354 12.947 -0.043 863 HB3 LEU 116 1HB LEU 116 -8.929 14.500 0.657 864 HG LEU 116 HG LEU 116 -7.971 13.418 -1.993 865 HD11 LEU 116 1HD1 LEU 116 -10.291 14.132 -2.040 866 HD12 LEU 116 2HD1 LEU 116 -9.279 15.267 -2.929 867 HD13 LEU 116 3HD1 LEU 116 -9.849 15.675 -1.311 868 HD21 LEU 116 3HD2 LEU 116 -6.222 14.744 -0.982 869 HD22 LEU 116 1HD2 LEU 116 -7.370 16.027 -0.602 870 HD23 LEU 116 2HD2 LEU 116 -6.978 15.665 -2.283 Start of MODEL 12 1 H GLU 1 H GLU 1 16.842 -14.354 12.454 2 HA GLU 1 HA GLU 1 16.426 -13.759 9.715 3 HB2 GLU 1 2HB GLU 1 14.053 -14.245 10.231 4 HB3 GLU 1 1HB GLU 1 14.078 -12.986 11.460 5 HG2 GLU 1 2HG GLU 1 13.032 -12.189 9.429 6 HG3 GLU 1 1HG GLU 1 14.529 -11.311 9.746 7 H VAL 2 H VAL 2 15.476 -12.131 12.748 8 HA VAL 2 HA VAL 2 16.691 -9.671 12.020 9 HB VAL 2 HB VAL 2 16.303 -8.999 14.362 10 HG11 VAL 2 1HG1 VAL 2 13.972 -10.453 13.116 11 HG12 VAL 2 2HG1 VAL 2 14.503 -8.819 12.719 12 HG13 VAL 2 3HG1 VAL 2 13.871 -9.174 14.327 13 HG21 VAL 2 3HG2 VAL 2 15.396 -11.855 14.725 14 HG22 VAL 2 1HG2 VAL 2 15.187 -10.558 15.902 15 HG23 VAL 2 2HG2 VAL 2 16.808 -11.102 15.468 16 H GLU 3 H GLU 3 18.531 -8.656 12.920 17 HA GLU 3 HA GLU 3 20.729 -8.545 13.485 18 HB2 GLU 3 2HB GLU 3 19.780 -9.097 15.710 19 HB3 GLU 3 1HB GLU 3 20.024 -10.804 15.367 20 HG2 GLU 3 2HG GLU 3 21.800 -10.041 16.767 21 HG3 GLU 3 1HG GLU 3 22.453 -10.369 15.162 22 H LYS 4 H LYS 4 21.398 -9.266 11.406 23 HA LYS 4 HA LYS 4 23.010 -11.649 11.516 24 HB2 LYS 4 2HB LYS 4 20.850 -12.590 10.831 25 HB3 LYS 4 1HB LYS 4 20.774 -11.456 9.489 26 HG2 LYS 4 2HG LYS 4 22.785 -12.479 8.524 27 HG3 LYS 4 1HG LYS 4 22.825 -13.633 9.858 28 HD2 LYS 4 2HD LYS 4 20.561 -13.325 7.885 29 HD3 LYS 4 1HD LYS 4 21.804 -14.574 7.819 30 HE2 LYS 4 2HE LYS 4 21.078 -15.368 10.044 31 HE3 LYS 4 1HE LYS 4 19.790 -14.163 10.027 32 HZ1 LYS 4 3HZ LYS 4 18.961 -16.309 9.338 33 HZ2 LYS 4 1HZ LYS 4 20.107 -16.398 8.097 34 HZ3 LYS 4 2HZ LYS 4 18.890 -15.225 8.042 35 H SER 5 H SER 5 24.744 -11.548 10.165 36 HA SER 5 HA SER 5 25.045 -9.067 8.644 37 HB2 SER 5 2HB SER 5 27.094 -11.121 9.516 38 HB3 SER 5 1HB SER 5 27.463 -9.644 8.624 39 HG SER 5 HG SER 5 26.537 -9.934 11.271 40 H SER 6 H SER 6 23.350 -10.808 7.411 41 HA SER 6 HA SER 6 24.910 -11.563 5.048 42 HB2 SER 6 2HB SER 6 22.847 -13.346 6.365 43 HB3 SER 6 1HB SER 6 23.641 -13.670 4.825 44 HG SER 6 HG SER 6 25.005 -13.330 7.288 45 H ASP 7 H ASP 7 21.666 -11.148 6.432 46 HA ASP 7 HA ASP 7 20.659 -10.396 3.784 47 HB2 ASP 7 2HB ASP 7 19.172 -11.012 6.346 48 HB3 ASP 7 1HB ASP 7 18.414 -10.596 4.812 49 H GLY 8 H GLY 8 21.285 -8.303 3.491 50 HA2 GLY 8 2HA GLY 8 21.141 -6.330 5.559 51 HA3 GLY 8 1HA GLY 8 21.464 -6.034 3.857 52 HA PRO 9 HA PRO 9 17.260 -4.272 5.097 53 HB2 PRO 9 2HB PRO 9 18.286 -2.136 3.306 54 HB3 PRO 9 1HB PRO 9 17.458 -2.000 4.860 55 HG2 PRO 9 2HG PRO 9 20.078 -1.541 4.663 56 HG3 PRO 9 1HG PRO 9 19.397 -2.368 6.076 57 HD2 PRO 9 2HD PRO 9 20.871 -3.508 3.739 58 HD3 PRO 9 1HD PRO 9 20.951 -3.963 5.454 59 H GLY 10 H GLY 10 15.997 -5.632 3.908 60 HA2 GLY 10 2HA GLY 10 15.674 -4.946 1.073 61 HA3 GLY 10 1HA GLY 10 15.972 -6.625 1.494 62 H ALA 11 H ALA 11 13.894 -4.030 2.790 63 HA ALA 11 HA ALA 11 11.469 -5.233 1.989 64 HB1 ALA 11 1HB ALA 11 10.629 -6.088 4.069 65 HB2 ALA 11 2HB ALA 11 12.092 -5.588 4.917 66 HB3 ALA 11 3HB ALA 11 12.164 -6.882 3.722 67 H ALA 12 H ALA 12 13.003 -3.331 4.548 68 HA ALA 12 HA ALA 12 12.590 -1.272 5.397 69 HB1 ALA 12 1HB ALA 12 12.715 -0.759 2.918 70 HB2 ALA 12 2HB ALA 12 11.884 0.424 3.930 71 HB3 ALA 12 3HB ALA 12 10.951 -0.703 2.946 72 H GLN 13 H GLN 13 9.529 -1.421 3.636 73 HA GLN 13 HA GLN 13 8.101 -1.918 6.142 74 HB2 GLN 13 2HB GLN 13 6.526 -0.068 5.629 75 HB3 GLN 13 1HB GLN 13 8.155 0.488 5.984 76 HG2 GLN 13 2HG GLN 13 8.550 0.623 3.517 77 HG3 GLN 13 1HG GLN 13 6.833 0.289 3.290 78 HE21 GLN 13 1HE2 GLN 13 9.195 2.596 4.354 79 HE22 GLN 13 2HE2 GLN 13 8.129 3.952 4.453 80 H GLU 14 H GLU 14 5.914 -2.635 5.858 81 HA GLU 14 HA GLU 14 5.152 -3.408 3.139 82 HB2 GLU 14 2HB GLU 14 4.738 -5.701 3.763 83 HB3 GLU 14 1HB GLU 14 6.405 -5.303 4.154 84 HG2 GLU 14 2HG GLU 14 5.628 -4.887 6.514 85 HG3 GLU 14 1HG GLU 14 4.085 -5.597 6.036 86 HA PRO 15 HA PRO 15 1.077 -2.332 4.426 87 HB2 PRO 15 2HB PRO 15 -0.478 -4.100 3.071 88 HB3 PRO 15 1HB PRO 15 0.361 -2.752 2.295 89 HG2 PRO 15 2HG PRO 15 1.115 -5.638 2.424 90 HG3 PRO 15 1HG PRO 15 1.234 -4.503 1.067 91 HD2 PRO 15 2HD PRO 15 3.359 -5.203 2.618 92 HD3 PRO 15 1HD PRO 15 3.221 -3.632 1.803 93 H THR 16 H THR 16 -0.438 -2.746 5.954 94 HA THR 16 HA THR 16 0.046 -4.750 7.868 95 HB THR 16 HB THR 16 -2.490 -3.147 7.507 96 HG1 THR 16 1HG THR 16 -0.073 -2.559 8.901 97 HG21 THR 16 3HG2 THR 16 -2.718 -3.476 9.940 98 HG22 THR 16 1HG2 THR 16 -1.295 -4.516 9.918 99 HG23 THR 16 2HG2 THR 16 -2.756 -5.001 9.057 100 H TRP 17 H TRP 17 -1.192 -6.553 8.489 101 HA TRP 17 HA TRP 17 -2.560 -7.856 6.258 102 HB2 TRP 17 2HB TRP 17 -1.401 -8.896 8.840 103 HB3 TRP 17 1HB TRP 17 -2.405 -9.890 7.790 104 HD1 TRP 17 HD TRP 17 -1.364 -9.747 5.043 105 HE1 TRP 17 1HE TRP 17 1.074 -10.236 4.377 106 HE3 TRP 17 3HE TRP 17 0.881 -9.001 9.576 107 HZ2 TRP 17 2HZ TRP 17 3.611 -10.301 5.610 108 HZ3 TRP 17 3HZ TRP 17 3.318 -9.300 9.747 109 HH2 TRP 17 HH TRP 17 4.653 -9.936 7.806 110 H LEU 18 H LEU 18 -4.612 -7.096 6.234 111 HA LEU 18 HA LEU 18 -6.179 -7.044 8.696 112 HB2 LEU 18 2HB LEU 18 -6.979 -6.257 5.893 113 HB3 LEU 18 1HB LEU 18 -7.861 -5.909 7.368 114 HG LEU 18 HG LEU 18 -5.124 -4.821 6.708 115 HD11 LEU 18 1HD1 LEU 18 -7.843 -3.543 6.541 116 HD12 LEU 18 2HD1 LEU 18 -6.738 -3.871 5.209 117 HD13 LEU 18 3HD1 LEU 18 -6.315 -2.673 6.431 118 HD21 LEU 18 3HD2 LEU 18 -7.030 -4.259 8.972 119 HD22 LEU 18 1HD2 LEU 18 -5.594 -3.303 8.611 120 HD23 LEU 18 2HD2 LEU 18 -5.432 -4.995 9.083 121 H THR 19 H THR 19 -5.921 -9.451 8.768 122 HA THR 19 HA THR 19 -7.245 -11.092 6.855 123 HB THR 19 HB THR 19 -6.919 -12.915 8.435 124 HG1 THR 19 1HG THR 19 -5.580 -11.519 10.353 125 HG21 THR 19 3HG2 THR 19 -4.475 -12.777 8.681 126 HG22 THR 19 1HG2 THR 19 -4.545 -11.052 8.317 127 HG23 THR 19 2HG2 THR 19 -5.004 -12.232 7.088 128 H ASP 20 H ASP 20 -8.543 -8.980 9.034 129 HA ASP 20 HA ASP 20 -11.069 -10.457 9.031 130 HB2 ASP 20 2HB ASP 20 -9.796 -9.209 11.470 131 HB3 ASP 20 1HB ASP 20 -11.486 -9.703 11.394 132 H VAL 21 H VAL 21 -12.922 -9.215 9.019 133 HA VAL 21 HA VAL 21 -12.814 -6.776 7.686 134 HB VAL 21 HB VAL 21 -15.125 -7.642 9.421 135 HG11 VAL 21 1HG1 VAL 21 -15.032 -6.074 6.848 136 HG12 VAL 21 2HG1 VAL 21 -15.239 -5.385 8.458 137 HG13 VAL 21 3HG1 VAL 21 -16.472 -6.455 7.792 138 HG21 VAL 21 3HG2 VAL 21 -15.952 -8.819 7.377 139 HG22 VAL 21 1HG2 VAL 21 -14.538 -9.564 8.122 140 HG23 VAL 21 2HG2 VAL 21 -14.356 -8.588 6.664 141 HA PRO 22 HA PRO 22 -13.787 -4.648 12.000 142 HB2 PRO 22 2HB PRO 22 -12.561 -5.974 14.096 143 HB3 PRO 22 1HB PRO 22 -14.286 -6.055 13.721 144 HG2 PRO 22 2HG PRO 22 -12.099 -7.969 13.019 145 HG3 PRO 22 1HG PRO 22 -13.755 -8.306 13.558 146 HD2 PRO 22 2HD PRO 22 -13.071 -8.526 10.986 147 HD3 PRO 22 1HD PRO 22 -14.657 -7.883 11.457 148 H ALA 23 H ALA 23 -10.824 -6.623 11.816 149 HA ALA 23 HA ALA 23 -9.101 -4.652 12.849 150 HB1 ALA 23 1HB ALA 23 -7.285 -6.012 12.028 151 HB2 ALA 23 2HB ALA 23 -8.377 -6.878 10.946 152 HB3 ALA 23 3HB ALA 23 -8.535 -7.065 12.694 153 H ALA 24 H ALA 24 -10.256 -5.380 9.652 154 HA ALA 24 HA ALA 24 -8.509 -3.718 8.186 155 HB1 ALA 24 1HB ALA 24 -10.297 -3.801 6.433 156 HB2 ALA 24 2HB ALA 24 -11.311 -4.674 7.583 157 HB3 ALA 24 3HB ALA 24 -9.794 -5.384 7.030 158 H MET 25 H MET 25 -11.892 -3.177 9.145 159 HA MET 25 HA MET 25 -12.023 -0.474 8.442 160 HB2 MET 25 2HB MET 25 -13.603 -1.848 10.619 161 HB3 MET 25 1HB MET 25 -14.060 -0.395 9.742 162 HG2 MET 25 2HG MET 25 -14.119 -1.750 7.658 163 HG3 MET 25 1HG MET 25 -13.834 -3.183 8.642 164 HE1 MET 25 3HE MET 25 -15.493 -2.529 11.258 165 HE2 MET 25 1HE MET 25 -15.552 -4.102 10.462 166 HE3 MET 25 2HE MET 25 -17.049 -3.272 10.885 167 H GLU 26 H GLU 26 -10.682 -2.040 11.240 168 HA GLU 26 HA GLU 26 -10.740 0.260 12.937 169 HB2 GLU 26 2HB GLU 26 -9.382 -2.406 13.053 170 HB3 GLU 26 1HB GLU 26 -8.881 -1.127 14.153 171 HG2 GLU 26 2HG GLU 26 -11.294 -0.921 14.829 172 HG3 GLU 26 1HG GLU 26 -11.586 -2.400 13.917 173 H PHE 27 H PHE 27 -8.155 -1.330 11.065 174 HA PHE 27 HA PHE 27 -6.175 0.557 11.644 175 HB2 PHE 27 2HB PHE 27 -6.550 -1.537 9.575 176 HB3 PHE 27 1HB PHE 27 -5.366 -0.280 9.222 177 HD1 PHE 27 2HD PHE 27 -3.351 -0.057 10.549 178 HD2 PHE 27 1HD PHE 27 -6.198 -3.111 11.380 179 HE1 PHE 27 2HE PHE 27 -1.699 -1.211 11.961 180 HE2 PHE 27 1HE PHE 27 -4.553 -4.266 12.796 181 HZ PHE 27 HZ PHE 27 -2.300 -3.317 13.088 182 H ILE 28 H ILE 28 -8.772 0.519 9.307 183 HA ILE 28 HA ILE 28 -7.859 2.817 7.850 184 HB ILE 28 HB ILE 28 -10.494 1.365 7.973 185 HG12 ILE 28 2HG1 ILE 28 -8.701 1.865 5.599 186 HG13 ILE 28 1HG1 ILE 28 -8.475 0.487 6.678 187 HG21 ILE 28 1HG2 ILE 28 -11.265 2.861 6.141 188 HG22 ILE 28 2HG2 ILE 28 -9.876 3.897 6.463 189 HG23 ILE 28 3HG2 ILE 28 -11.110 3.663 7.701 190 HD11 ILE 28 3HD1 ILE 28 -10.468 -0.507 6.022 191 HD12 ILE 28 1HD1 ILE 28 -9.821 0.160 4.522 192 HD13 ILE 28 2HD1 ILE 28 -11.116 1.001 5.371 193 H ALA 29 H ALA 29 -10.089 2.227 10.515 194 HA ALA 29 HA ALA 29 -11.043 4.908 10.690 195 HB1 ALA 29 1HB ALA 29 -11.999 4.180 12.847 196 HB2 ALA 29 2HB ALA 29 -11.138 2.646 12.685 197 HB3 ALA 29 3HB ALA 29 -12.390 3.085 11.521 198 H ALA 30 H ALA 30 -8.191 3.337 11.713 199 HA ALA 30 HA ALA 30 -7.640 5.331 13.784 200 HB1 ALA 30 1HB ALA 30 -5.704 3.951 14.336 201 HB2 ALA 30 2HB ALA 30 -6.061 2.896 12.968 202 HB3 ALA 30 3HB ALA 30 -7.186 2.994 14.323 203 H THR 31 H THR 31 -7.684 5.907 10.845 204 HA THR 31 HA THR 31 -5.370 7.568 10.778 205 HB THR 31 HB THR 31 -4.270 5.466 10.180 206 HG1 THR 31 1HG THR 31 -4.208 6.584 7.694 207 HG21 THR 31 3HG2 THR 31 -4.919 4.093 8.438 208 HG22 THR 31 1HG2 THR 31 -5.857 5.362 7.647 209 HG23 THR 31 2HG2 THR 31 -6.470 4.590 9.110 210 H GLU 32 H GLU 32 -5.347 9.016 9.004 211 HA GLU 32 HA GLU 32 -7.890 9.789 8.064 212 HB2 GLU 32 2HB GLU 32 -5.635 11.115 8.344 213 HB3 GLU 32 1HB GLU 32 -5.380 10.638 6.671 214 HG2 GLU 32 2HG GLU 32 -7.399 11.743 5.993 215 HG3 GLU 32 1HG GLU 32 -7.799 12.113 7.671 216 H VAL 33 H VAL 33 -5.176 9.101 5.873 217 HA VAL 33 HA VAL 33 -7.076 7.932 3.982 218 HB VAL 33 HB VAL 33 -4.171 8.586 3.502 219 HG11 VAL 33 1HG1 VAL 33 -4.869 8.633 1.134 220 HG12 VAL 33 2HG1 VAL 33 -6.483 8.102 1.623 221 HG13 VAL 33 3HG1 VAL 33 -5.086 7.048 1.880 222 HG21 VAL 33 3HG2 VAL 33 -5.269 10.616 4.165 223 HG22 VAL 33 1HG2 VAL 33 -6.619 10.288 3.079 224 HG23 VAL 33 2HG2 VAL 33 -5.023 10.649 2.419 225 H ALA 34 H ALA 34 -7.047 5.822 3.382 226 HA ALA 34 HA ALA 34 -4.846 4.128 4.312 227 HB1 ALA 34 1HB ALA 34 -6.452 3.887 6.056 228 HB2 ALA 34 2HB ALA 34 -6.521 2.423 5.070 229 HB3 ALA 34 3HB ALA 34 -7.763 3.664 4.896 230 H VAL 35 H VAL 35 -4.140 2.830 2.782 231 HA VAL 35 HA VAL 35 -5.973 2.126 0.589 232 HB VAL 35 HB VAL 35 -2.998 2.603 0.531 233 HG11 VAL 35 1HG1 VAL 35 -3.089 1.922 -1.846 234 HG12 VAL 35 2HG1 VAL 35 -4.746 1.368 -1.604 235 HG13 VAL 35 3HG1 VAL 35 -3.419 0.581 -0.749 236 HG21 VAL 35 3HG2 VAL 35 -5.371 3.809 -0.872 237 HG22 VAL 35 1HG2 VAL 35 -3.692 4.187 -1.266 238 HG23 VAL 35 2HG2 VAL 35 -4.335 4.580 0.332 239 H ILE 36 H ILE 36 -6.343 0.052 0.224 240 HA ILE 36 HA ILE 36 -4.601 -1.927 1.513 241 HB ILE 36 HB ILE 36 -7.605 -1.838 1.731 242 HG12 ILE 36 2HG1 ILE 36 -5.707 -1.880 4.038 243 HG13 ILE 36 1HG1 ILE 36 -5.963 -0.368 3.181 244 HG21 ILE 36 1HG2 ILE 36 -6.973 -4.124 1.518 245 HG22 ILE 36 2HG2 ILE 36 -7.268 -3.823 3.232 246 HG23 ILE 36 3HG2 ILE 36 -5.612 -3.918 2.623 247 HD11 ILE 36 3HD1 ILE 36 -8.003 -2.025 4.615 248 HD12 ILE 36 1HD1 ILE 36 -8.393 -0.636 3.600 249 HD13 ILE 36 2HD1 ILE 36 -7.407 -0.421 5.048 250 H GLY 37 H GLY 37 -4.253 -3.755 0.417 251 HA2 GLY 37 2HA GLY 37 -5.504 -3.974 -2.222 252 HA3 GLY 37 1HA GLY 37 -3.989 -4.714 -1.750 253 H PHE 38 H PHE 38 -7.420 -5.041 -1.863 254 HA PHE 38 HA PHE 38 -7.507 -7.454 -0.264 255 HB2 PHE 38 2HB PHE 38 -9.638 -6.274 -2.064 256 HB3 PHE 38 1HB PHE 38 -9.869 -7.504 -0.822 257 HD1 PHE 38 2HD PHE 38 -8.756 -3.987 -1.276 258 HD2 PHE 38 1HD PHE 38 -10.451 -6.890 1.329 259 HE1 PHE 38 2HE PHE 38 -9.202 -2.233 0.384 260 HE2 PHE 38 1HE PHE 38 -10.903 -5.136 2.994 261 HZ PHE 38 HZ PHE 38 -10.278 -2.804 2.522 262 H PHE 39 H PHE 39 -6.092 -8.847 -1.312 263 HA PHE 39 HA PHE 39 -6.781 -9.590 -4.069 264 HB2 PHE 39 2HB PHE 39 -4.243 -10.238 -2.575 265 HB3 PHE 39 1HB PHE 39 -4.540 -10.403 -4.304 266 HD1 PHE 39 1HD PHE 39 -5.802 -7.860 -4.975 267 HD2 PHE 39 2HD PHE 39 -2.540 -8.682 -2.371 268 HE1 PHE 39 1HE PHE 39 -4.940 -5.589 -5.346 269 HE2 PHE 39 2HE PHE 39 -1.671 -6.409 -2.739 270 HZ PHE 39 HZ PHE 39 -2.872 -4.860 -4.227 271 H GLN 40 H GLN 40 -7.358 -11.600 -4.614 272 HA GLN 40 HA GLN 40 -7.973 -13.476 -2.498 273 HB2 GLN 40 2HB GLN 40 -8.334 -13.727 -5.495 274 HB3 GLN 40 1HB GLN 40 -9.013 -14.803 -4.282 275 HG2 GLN 40 2HG GLN 40 -10.365 -12.986 -3.404 276 HG3 GLN 40 1HG GLN 40 -9.666 -11.881 -4.584 277 HE21 GLN 40 1HE2 GLN 40 -9.645 -13.912 -6.688 278 HE22 GLN 40 2HE2 GLN 40 -11.283 -14.072 -7.211 279 H ASP 41 H ASP 41 -5.344 -12.680 -4.264 280 HA ASP 41 HA ASP 41 -3.925 -15.110 -3.612 281 HB2 ASP 41 2HB ASP 41 -4.924 -15.530 -5.886 282 HB3 ASP 41 1HB ASP 41 -3.999 -14.154 -6.487 283 H LEU 42 H LEU 42 -1.923 -14.532 -2.918 284 HA LEU 42 HA LEU 42 -1.081 -11.786 -3.442 285 HB2 LEU 42 2HB LEU 42 -0.043 -13.799 -1.450 286 HB3 LEU 42 1HB LEU 42 0.558 -12.158 -1.625 287 HG LEU 42 HG LEU 42 -2.235 -12.929 -0.789 288 HD11 LEU 42 1HD1 LEU 42 -0.550 -13.373 0.923 289 HD12 LEU 42 2HD1 LEU 42 -1.598 -12.031 1.381 290 HD13 LEU 42 3HD1 LEU 42 0.032 -11.715 0.784 291 HD21 LEU 42 3HD2 LEU 42 -0.931 -10.228 -1.108 292 HD22 LEU 42 1HD2 LEU 42 -2.486 -10.510 -0.325 293 HD23 LEU 42 2HD2 LEU 42 -2.286 -10.867 -2.040 294 H GLU 43 H GLU 43 -0.822 -13.290 -5.657 295 HA GLU 43 HA GLU 43 2.094 -13.424 -5.957 296 HB2 GLU 43 2HB GLU 43 0.178 -15.433 -7.159 297 HB3 GLU 43 1HB GLU 43 1.921 -15.409 -7.362 298 HG2 GLU 43 2HG GLU 43 2.240 -15.895 -5.029 299 HG3 GLU 43 1HG GLU 43 0.502 -15.813 -4.746 300 H ILE 44 H ILE 44 -0.587 -11.900 -6.719 301 HA ILE 44 HA ILE 44 -0.249 -11.673 -9.597 302 HB ILE 44 HB ILE 44 -2.089 -9.888 -9.270 303 HG12 ILE 44 2HG1 ILE 44 -2.719 -11.356 -6.758 304 HG13 ILE 44 1HG1 ILE 44 -1.547 -10.049 -6.687 305 HG21 ILE 44 1HG2 ILE 44 -2.798 -12.727 -8.547 306 HG22 ILE 44 2HG2 ILE 44 -2.349 -12.213 -10.177 307 HG23 ILE 44 3HG2 ILE 44 -3.789 -11.547 -9.407 308 HD11 ILE 44 3HD1 ILE 44 -3.604 -9.096 -6.137 309 HD12 ILE 44 1HD1 ILE 44 -4.431 -9.923 -7.456 310 HD13 ILE 44 2HD1 ILE 44 -3.299 -8.619 -7.807 311 HA PRO 45 HA PRO 45 2.308 -8.087 -9.879 312 HB2 PRO 45 2HB PRO 45 0.065 -6.812 -11.382 313 HB3 PRO 45 1HB PRO 45 1.767 -6.956 -11.822 314 HG2 PRO 45 2HG PRO 45 -0.031 -8.522 -12.972 315 HG3 PRO 45 1HG PRO 45 1.538 -9.185 -12.475 316 HD2 PRO 45 2HD PRO 45 -1.139 -9.467 -11.171 317 HD3 PRO 45 1HD PRO 45 0.169 -10.658 -11.336 318 H ALA 46 H ALA 46 -1.031 -7.656 -8.912 319 HA ALA 46 HA ALA 46 -0.908 -4.979 -8.083 320 HB1 ALA 46 1HB ALA 46 -2.979 -5.351 -7.023 321 HB2 ALA 46 2HB ALA 46 -2.652 -7.074 -6.827 322 HB3 ALA 46 3HB ALA 46 -2.963 -6.413 -8.433 323 H VAL 47 H VAL 47 -0.096 -7.967 -6.372 324 HA VAL 47 HA VAL 47 0.044 -6.844 -3.801 325 HB VAL 47 HB VAL 47 1.845 -9.111 -4.569 326 HG11 VAL 47 1HG1 VAL 47 0.172 -8.523 -2.127 327 HG12 VAL 47 2HG1 VAL 47 1.913 -8.283 -2.275 328 HG13 VAL 47 3HG1 VAL 47 1.239 -9.912 -2.336 329 HG21 VAL 47 3HG2 VAL 47 -0.329 -9.492 -5.683 330 HG22 VAL 47 1HG2 VAL 47 -1.126 -9.350 -4.116 331 HG23 VAL 47 2HG2 VAL 47 0.008 -10.667 -4.415 332 HA PRO 48 HA PRO 48 4.857 -6.312 -4.528 333 HB2 PRO 48 2HB PRO 48 4.888 -6.064 -7.487 334 HB3 PRO 48 1HB PRO 48 6.054 -6.846 -6.410 335 HG2 PRO 48 2HG PRO 48 4.402 -8.295 -7.919 336 HG3 PRO 48 1HG PRO 48 4.811 -8.798 -6.267 337 HD2 PRO 48 2HD PRO 48 2.327 -7.492 -7.292 338 HD3 PRO 48 1HD PRO 48 2.507 -8.772 -6.085 339 H ILE 49 H ILE 49 2.663 -4.991 -6.958 340 HA ILE 49 HA ILE 49 3.770 -2.428 -7.136 341 HB ILE 49 HB ILE 49 1.126 -3.614 -7.812 342 HG12 ILE 49 2HG1 ILE 49 2.869 -1.994 -9.610 343 HG13 ILE 49 1HG1 ILE 49 3.377 -3.615 -9.159 344 HG21 ILE 49 1HG2 ILE 49 0.627 -1.282 -8.840 345 HG22 ILE 49 2HG2 ILE 49 1.691 -0.705 -7.556 346 HG23 ILE 49 3HG2 ILE 49 0.232 -1.608 -7.152 347 HD11 ILE 49 3HD1 ILE 49 2.099 -3.362 -11.325 348 HD12 ILE 49 1HD1 ILE 49 0.678 -3.062 -10.330 349 HD13 ILE 49 2HD1 ILE 49 1.533 -4.600 -10.204 350 H LEU 50 H LEU 50 1.363 -3.780 -4.938 351 HA LEU 50 HA LEU 50 0.728 -1.268 -3.728 352 HB2 LEU 50 2HB LEU 50 -0.906 -3.010 -3.608 353 HB3 LEU 50 1HB LEU 50 0.240 -4.112 -2.877 354 HG LEU 50 HG LEU 50 0.306 -2.560 -0.885 355 HD11 LEU 50 1HD1 LEU 50 -2.123 -1.376 -2.215 356 HD12 LEU 50 2HD1 LEU 50 -0.567 -0.573 -2.017 357 HD13 LEU 50 3HD1 LEU 50 -1.527 -0.998 -0.599 358 HD21 LEU 50 3HD2 LEU 50 -1.053 -4.690 -1.084 359 HD22 LEU 50 1HD2 LEU 50 -2.445 -3.656 -1.428 360 HD23 LEU 50 2HD2 LEU 50 -1.598 -3.519 0.116 361 H HIS 51 H HIS 51 2.619 -4.091 -2.653 362 HA HIS 51 HA HIS 51 3.625 -3.041 -0.299 363 HB2 HIS 51 2HB HIS 51 4.840 -4.973 -2.274 364 HB3 HIS 51 1HB HIS 51 5.624 -4.562 -0.751 365 HD1 HIS 51 1HD HIS 51 5.298 -6.468 0.778 366 HD2 HIS 51 2HD HIS 51 1.864 -5.653 -1.415 367 HE1 HIS 51 1HE HIS 51 3.560 -8.074 1.628 368 HE2 HIS 51 2HE HIS 51 1.471 -7.516 0.334 369 H SER 52 H SER 52 4.351 -2.240 -3.565 370 HA SER 52 HA SER 52 6.846 -0.906 -2.955 371 HB2 SER 52 2HB SER 52 5.182 -1.048 -5.480 372 HB3 SER 52 1HB SER 52 6.710 -0.174 -5.358 373 HG SER 52 HG SER 52 6.480 -2.629 -6.009 374 H MET 53 H MET 53 3.528 0.027 -3.847 375 HA MET 53 HA MET 53 3.936 2.798 -3.838 376 HB2 MET 53 2HB MET 53 1.636 3.029 -3.968 377 HB3 MET 53 1HB MET 53 1.865 1.404 -4.592 378 HG2 MET 53 2HG MET 53 0.073 1.155 -3.173 379 HG3 MET 53 1HG MET 53 1.427 0.654 -2.168 380 HE1 MET 53 3HE MET 53 -1.207 1.230 -0.739 381 HE2 MET 53 1HE MET 53 -0.741 2.338 0.551 382 HE3 MET 53 2HE MET 53 0.293 0.966 0.152 383 H VAL 54 H VAL 54 3.647 0.482 -1.320 384 HA VAL 54 HA VAL 54 2.819 1.949 0.860 385 HB VAL 54 HB VAL 54 4.888 -0.231 0.693 386 HG11 VAL 54 1HG1 VAL 54 3.601 0.937 3.148 387 HG12 VAL 54 2HG1 VAL 54 5.302 1.062 2.701 388 HG13 VAL 54 3HG1 VAL 54 4.609 -0.508 3.111 389 HG21 VAL 54 3HG2 VAL 54 1.953 -0.176 1.314 390 HG22 VAL 54 1HG2 VAL 54 2.987 -1.535 1.754 391 HG23 VAL 54 2HG2 VAL 54 2.795 -1.084 0.061 392 H GLN 55 H GLN 55 6.117 1.616 -0.420 393 HA GLN 55 HA GLN 55 7.213 3.435 1.505 394 HB2 GLN 55 2HB GLN 55 8.541 2.592 -1.049 395 HB3 GLN 55 1HB GLN 55 9.278 3.039 0.484 396 HG2 GLN 55 2HG GLN 55 8.447 0.990 1.498 397 HG3 GLN 55 1HG GLN 55 7.671 0.547 -0.022 398 HE21 GLN 55 1HE2 GLN 55 9.719 -0.851 1.520 399 HE22 GLN 55 2HE2 GLN 55 11.061 -1.062 0.452 400 H LYS 56 H LYS 56 5.470 3.792 -1.335 401 HA LYS 56 HA LYS 56 6.697 6.331 -2.087 402 HB2 LYS 56 2HB LYS 56 4.345 4.889 -3.327 403 HB3 LYS 56 1HB LYS 56 5.189 6.276 -4.001 404 HG2 LYS 56 2HG LYS 56 7.214 4.931 -4.235 405 HG3 LYS 56 1HG LYS 56 6.366 3.539 -3.560 406 HD2 LYS 56 2HD LYS 56 6.252 3.212 -5.873 407 HD3 LYS 56 1HD LYS 56 4.679 3.899 -5.460 408 HE2 LYS 56 2HE LYS 56 5.461 5.005 -7.425 409 HE3 LYS 56 1HE LYS 56 5.588 6.140 -6.080 410 HZ1 LYS 56 3HZ LYS 56 7.560 6.178 -7.485 411 HZ2 LYS 56 1HZ LYS 56 7.829 4.534 -7.181 412 HZ3 LYS 56 2HZ LYS 56 7.939 5.657 -5.921 413 H PHE 57 H PHE 57 4.151 5.086 -0.210 414 HA PHE 57 HA PHE 57 3.116 7.795 0.213 415 HB2 PHE 57 2HB PHE 57 1.541 5.343 -0.501 416 HB3 PHE 57 1HB PHE 57 0.804 6.660 0.413 417 HD1 PHE 57 1HD PHE 57 0.405 8.813 -0.608 418 HD2 PHE 57 2HD PHE 57 2.162 5.629 -2.818 419 HE1 PHE 57 1HE PHE 57 -0.035 10.030 -2.699 420 HE2 PHE 57 2HE PHE 57 1.726 6.842 -4.915 421 HZ PHE 57 HZ PHE 57 0.627 9.043 -4.857 422 HA PRO 58 HA PRO 58 4.272 5.386 4.151 423 HB2 PRO 58 2HB PRO 58 5.313 7.731 5.257 424 HB3 PRO 58 1HB PRO 58 6.258 6.436 4.517 425 HG2 PRO 58 2HG PRO 58 5.317 9.013 3.331 426 HG3 PRO 58 1HG PRO 58 6.872 8.181 3.121 427 HD2 PRO 58 2HD PRO 58 5.020 8.070 1.215 428 HD3 PRO 58 1HD PRO 58 5.968 6.625 1.628 429 H GLY 59 H GLY 59 3.054 8.697 3.667 430 HA2 GLY 59 2HA GLY 59 1.697 8.982 6.095 431 HA3 GLY 59 1HA GLY 59 1.271 9.805 4.599 432 H VAL 60 H VAL 60 0.660 7.576 3.037 433 HA VAL 60 HA VAL 60 -2.028 7.088 3.776 434 HB VAL 60 HB VAL 60 -0.215 5.971 1.649 435 HG11 VAL 60 1HG1 VAL 60 -3.070 5.129 2.167 436 HG12 VAL 60 2HG1 VAL 60 -1.639 4.108 2.306 437 HG13 VAL 60 3HG1 VAL 60 -2.130 4.728 0.730 438 HG21 VAL 60 3HG2 VAL 60 -2.707 7.667 1.615 439 HG22 VAL 60 1HG2 VAL 60 -1.883 7.071 0.175 440 HG23 VAL 60 2HG2 VAL 60 -1.057 8.186 1.262 441 H SER 61 H SER 61 -3.010 5.230 4.601 442 HA SER 61 HA SER 61 -1.288 3.604 6.252 443 HB2 SER 61 2HB SER 61 -3.360 4.330 7.235 444 HB3 SER 61 1HB SER 61 -4.287 3.650 5.900 445 HG SER 61 HG SER 61 -3.120 2.394 8.081 446 H PHE 62 H PHE 62 -0.124 2.229 5.034 447 HA PHE 62 HA PHE 62 -1.096 0.791 2.811 448 HB2 PHE 62 2HB PHE 62 0.958 -0.722 3.399 449 HB3 PHE 62 1HB PHE 62 1.217 0.929 2.841 450 HD1 PHE 62 2HD PHE 62 1.220 -1.264 5.805 451 HD2 PHE 62 1HD PHE 62 2.187 2.577 4.248 452 HE1 PHE 62 2HE PHE 62 2.519 -0.770 7.834 453 HE2 PHE 62 1HE PHE 62 3.487 3.075 6.275 454 HZ PHE 62 HZ PHE 62 3.654 1.401 8.071 455 H GLY 63 H GLY 63 -2.298 -0.971 2.676 456 HA2 GLY 63 2HA GLY 63 -2.342 -2.872 4.898 457 HA3 GLY 63 1HA GLY 63 -3.867 -2.137 4.428 458 H ILE 64 H ILE 64 -3.479 -4.876 4.353 459 HA ILE 64 HA ILE 64 -4.124 -5.410 1.614 460 HB ILE 64 HB ILE 64 -1.505 -5.486 1.948 461 HG12 ILE 64 2HG1 ILE 64 -3.013 -7.624 0.440 462 HG13 ILE 64 1HG1 ILE 64 -2.722 -5.986 -0.130 463 HG21 ILE 64 1HG2 ILE 64 -1.489 -7.039 3.806 464 HG22 ILE 64 2HG2 ILE 64 -0.696 -7.755 2.404 465 HG23 ILE 64 3HG2 ILE 64 -2.333 -8.243 2.833 466 HD11 ILE 64 3HD1 ILE 64 -0.644 -8.098 0.400 467 HD12 ILE 64 1HD1 ILE 64 -0.300 -6.432 -0.068 468 HD13 ILE 64 2HD1 ILE 64 -1.171 -7.498 -1.171 469 H SER 65 H SER 65 -5.315 -7.282 1.393 470 HA SER 65 HA SER 65 -5.509 -9.073 3.690 471 HB2 SER 65 2HB SER 65 -7.187 -7.387 4.192 472 HB3 SER 65 1HB SER 65 -7.882 -7.561 2.579 473 HG SER 65 HG SER 65 -8.706 -9.489 3.120 474 H THR 66 H THR 66 -6.544 -11.065 3.261 475 HA THR 66 HA THR 66 -7.093 -11.660 0.443 476 HB THR 66 HB THR 66 -5.832 -13.766 0.588 477 HG1 THR 66 1HG THR 66 -4.433 -12.932 2.844 478 HG21 THR 66 3HG2 THR 66 -3.628 -12.836 0.375 479 HG22 THR 66 1HG2 THR 66 -4.097 -11.404 1.291 480 HG23 THR 66 2HG2 THR 66 -4.789 -11.695 -0.306 481 H ASP 67 H ASP 67 -8.062 -11.762 3.596 482 HA ASP 67 HA ASP 67 -9.292 -14.308 3.774 483 HB2 ASP 67 2HB ASP 67 -8.802 -12.869 5.736 484 HB3 ASP 67 1HB ASP 67 -10.053 -11.749 5.202 485 H SER 68 H SER 68 -11.371 -14.964 3.358 486 HA SER 68 HA SER 68 -12.680 -13.778 1.167 487 HB2 SER 68 2HB SER 68 -12.842 -16.171 1.621 488 HB3 SER 68 1HB SER 68 -13.699 -15.847 3.128 489 HG SER 68 HG SER 68 -14.987 -14.573 1.211 490 H GLU 69 H GLU 69 -13.602 -13.918 4.612 491 HA GLU 69 HA GLU 69 -16.018 -12.619 4.509 492 HB2 GLU 69 2HB GLU 69 -13.934 -12.245 6.660 493 HB3 GLU 69 1HB GLU 69 -15.665 -11.971 6.817 494 HG2 GLU 69 2HG GLU 69 -16.055 -14.365 6.389 495 HG3 GLU 69 1HG GLU 69 -14.311 -14.614 6.335 496 H VAL 70 H VAL 70 -12.804 -11.118 4.703 497 HA VAL 70 HA VAL 70 -13.828 -8.468 4.771 498 HB VAL 70 HB VAL 70 -11.074 -9.498 4.081 499 HG11 VAL 70 1HG1 VAL 70 -10.326 -7.158 4.396 500 HG12 VAL 70 2HG1 VAL 70 -12.016 -6.659 4.462 501 HG13 VAL 70 3HG1 VAL 70 -11.363 -7.371 2.985 502 HG21 VAL 70 3HG2 VAL 70 -10.543 -8.469 6.322 503 HG22 VAL 70 1HG2 VAL 70 -11.562 -9.909 6.369 504 HG23 VAL 70 2HG2 VAL 70 -12.282 -8.313 6.568 505 H LEU 71 H LEU 71 -12.286 -10.371 2.181 506 HA LEU 71 HA LEU 71 -12.587 -8.471 0.151 507 HB2 LEU 71 2HB LEU 71 -12.199 -11.427 0.219 508 HB3 LEU 71 1HB LEU 71 -12.654 -10.682 -1.304 509 HG LEU 71 HG LEU 71 -10.672 -9.375 -1.375 510 HD11 LEU 71 1HD1 LEU 71 -10.147 -10.307 1.440 511 HD12 LEU 71 2HD1 LEU 71 -10.539 -8.668 0.920 512 HD13 LEU 71 3HD1 LEU 71 -9.008 -9.402 0.444 513 HD21 LEU 71 3HD2 LEU 71 -8.898 -11.094 -1.229 514 HD22 LEU 71 1HD2 LEU 71 -10.336 -11.646 -2.089 515 HD23 LEU 71 2HD2 LEU 71 -10.047 -12.168 -0.429 516 H THR 72 H THR 72 -14.892 -10.313 1.799 517 HA THR 72 HA THR 72 -16.882 -10.210 -0.325 518 HB THR 72 HB THR 72 -17.062 -11.232 2.520 519 HG1 THR 72 1HG THR 72 -16.145 -12.317 0.222 520 HG21 THR 72 3HG2 THR 72 -19.069 -11.237 0.264 521 HG22 THR 72 1HG2 THR 72 -19.250 -10.527 1.868 522 HG23 THR 72 2HG2 THR 72 -19.198 -12.280 1.681 523 H HIS 73 H HIS 73 -16.224 -8.799 2.843 524 HA HIS 73 HA HIS 73 -18.586 -7.313 3.119 525 HB2 HIS 73 2HB HIS 73 -16.965 -7.732 4.950 526 HB3 HIS 73 1HB HIS 73 -15.830 -6.634 4.173 527 HD1 HIS 73 1HD HIS 73 -18.882 -6.709 6.284 528 HD2 HIS 73 2HD HIS 73 -16.524 -3.889 4.347 529 HE1 HIS 73 1HE HIS 73 -19.574 -4.486 7.235 530 HE2 HIS 73 2HE HIS 73 -18.190 -2.789 5.990 531 H TYR 74 H TYR 74 -15.500 -6.564 1.572 532 HA TYR 74 HA TYR 74 -16.462 -3.932 0.780 533 HB2 TYR 74 2HB TYR 74 -13.818 -5.345 0.478 534 HB3 TYR 74 1HB TYR 74 -14.159 -3.824 -0.340 535 HD1 TYR 74 2HD TYR 74 -13.820 -5.423 2.979 536 HD2 TYR 74 1HD TYR 74 -14.073 -1.761 0.827 537 HE1 TYR 74 2HE TYR 74 -13.162 -4.194 5.005 538 HE2 TYR 74 1HE TYR 74 -13.414 -0.523 2.847 539 HH TYR 74 HH TYR 74 -12.123 -2.020 5.585 540 H ASN 75 H ASN 75 -17.294 -6.761 -0.237 541 HA ASN 75 HA ASN 75 -18.050 -7.684 -2.169 542 HB2 ASN 75 2HB ASN 75 -18.063 -4.775 -2.979 543 HB3 ASN 75 1HB ASN 75 -18.806 -6.065 -3.922 544 HD21 ASN 75 1HD2 ASN 75 -20.672 -7.049 -3.170 545 HD22 ASN 75 2HD2 ASN 75 -21.627 -6.371 -1.900 546 H ILE 76 H ILE 76 -15.111 -7.219 -1.797 547 HA ILE 76 HA ILE 76 -13.861 -6.611 -4.234 548 HB ILE 76 HB ILE 76 -12.880 -8.568 -2.153 549 HG12 ILE 76 2HG1 ILE 76 -13.486 -6.445 -1.103 550 HG13 ILE 76 1HG1 ILE 76 -11.744 -6.656 -1.115 551 HG21 ILE 76 1HG2 ILE 76 -11.551 -8.750 -4.096 552 HG22 ILE 76 2HG2 ILE 76 -10.638 -7.759 -2.958 553 HG23 ILE 76 3HG2 ILE 76 -11.488 -7.003 -4.304 554 HD11 ILE 76 3HD1 ILE 76 -13.283 -4.960 -3.067 555 HD12 ILE 76 1HD1 ILE 76 -11.530 -5.110 -2.956 556 HD13 ILE 76 2HD1 ILE 76 -12.437 -4.360 -1.643 557 H THR 77 H THR 77 -13.957 -7.641 -6.124 558 HA THR 77 HA THR 77 -14.145 -10.568 -6.149 559 HB THR 77 HB THR 77 -15.807 -10.508 -7.967 560 HG1 THR 77 1HG THR 77 -15.534 -7.738 -7.562 561 HG21 THR 77 3HG2 THR 77 -16.695 -9.055 -5.476 562 HG22 THR 77 1HG2 THR 77 -16.573 -10.804 -5.667 563 HG23 THR 77 2HG2 THR 77 -17.750 -9.893 -6.612 564 H GLY 78 H GLY 78 -11.779 -9.414 -6.554 565 HA2 GLY 78 2HA GLY 78 -10.772 -10.381 -8.871 566 HA3 GLY 78 1HA GLY 78 -11.352 -8.792 -9.348 567 H ASN 79 H ASN 79 -9.765 -9.896 -6.356 568 HA ASN 79 HA ASN 79 -7.983 -9.039 -5.215 569 HB2 ASN 79 2HB ASN 79 -6.893 -8.788 -8.026 570 HB3 ASN 79 1HB ASN 79 -5.932 -8.777 -6.550 571 HD21 ASN 79 1HD2 ASN 79 -7.863 -10.709 -8.705 572 HD22 ASN 79 2HD2 ASN 79 -7.335 -12.247 -8.122 573 H THR 80 H THR 80 -9.981 -7.215 -5.618 574 HA THR 80 HA THR 80 -9.166 -4.762 -6.769 575 HB THR 80 HB THR 80 -11.280 -5.350 -4.683 576 HG1 THR 80 1HG THR 80 -11.434 -6.327 -6.863 577 HG21 THR 80 3HG2 THR 80 -12.295 -3.222 -5.353 578 HG22 THR 80 1HG2 THR 80 -10.921 -2.899 -6.413 579 HG23 THR 80 2HG2 THR 80 -10.689 -2.977 -4.667 580 H ILE 81 H ILE 81 -8.560 -2.829 -5.797 581 HA ILE 81 HA ILE 81 -7.392 -3.014 -3.092 582 HB ILE 81 HB ILE 81 -6.484 -1.366 -5.462 583 HG12 ILE 81 2HG1 ILE 81 -5.101 -3.551 -3.893 584 HG13 ILE 81 1HG1 ILE 81 -5.776 -3.721 -5.507 585 HG21 ILE 81 1HG2 ILE 81 -4.740 -0.473 -4.018 586 HG22 ILE 81 2HG2 ILE 81 -5.400 -1.364 -2.648 587 HG23 ILE 81 3HG2 ILE 81 -6.338 -0.068 -3.390 588 HD11 ILE 81 3HD1 ILE 81 -3.408 -3.470 -5.667 589 HD12 ILE 81 1HD1 ILE 81 -3.453 -2.002 -4.689 590 HD13 ILE 81 2HD1 ILE 81 -4.176 -2.011 -6.299 591 H CYS 82 H CYS 82 -8.513 -1.833 -1.649 592 HA CYS 82 HA CYS 82 -10.118 0.384 -2.704 593 HB2 CYS 82 2HB CYS 82 -10.469 -1.200 -0.170 594 HB3 CYS 82 1HB CYS 82 -11.491 0.143 -0.665 595 HG CYS 82 HG CYS 82 -11.144 -2.736 -2.483 596 H LEU 83 H LEU 83 -9.809 2.398 -2.105 597 HA LEU 83 HA LEU 83 -7.885 2.960 0.038 598 HB2 LEU 83 2HB LEU 83 -6.992 3.936 -1.848 599 HB3 LEU 83 1HB LEU 83 -8.558 4.293 -2.542 600 HG LEU 83 HG LEU 83 -8.848 6.195 -1.091 601 HD11 LEU 83 1HD1 LEU 83 -6.139 5.708 0.110 602 HD12 LEU 83 2HD1 LEU 83 -7.623 5.130 0.866 603 HD13 LEU 83 3HD1 LEU 83 -7.381 6.859 0.613 604 HD21 LEU 83 3HD2 LEU 83 -7.632 6.616 -3.119 605 HD22 LEU 83 1HD2 LEU 83 -6.118 6.121 -2.360 606 HD23 LEU 83 2HD2 LEU 83 -6.937 7.585 -1.819 607 H PHE 84 H PHE 84 -9.022 3.286 1.878 608 HA PHE 84 HA PHE 84 -11.507 4.820 1.753 609 HB2 PHE 84 2HB PHE 84 -11.212 2.566 3.025 610 HB3 PHE 84 1HB PHE 84 -10.429 3.556 4.253 611 HD1 PHE 84 1HD PHE 84 -11.749 5.499 5.234 612 HD2 PHE 84 2HD PHE 84 -13.531 2.404 2.920 613 HE1 PHE 84 1HE PHE 84 -13.951 6.070 6.170 614 HE2 PHE 84 2HE PHE 84 -15.736 2.972 3.851 615 HZ PHE 84 HZ PHE 84 -15.948 4.808 5.477 616 H ARG 85 H ARG 85 -11.490 6.927 2.193 617 HA ARG 85 HA ARG 85 -9.182 8.024 3.652 618 HB2 ARG 85 2HB ARG 85 -11.066 9.905 2.375 619 HB3 ARG 85 1HB ARG 85 -9.308 9.898 2.389 620 HG2 ARG 85 2HG ARG 85 -9.296 8.153 0.679 621 HG3 ARG 85 1HG ARG 85 -11.069 8.180 0.653 622 HD2 ARG 85 2HD ARG 85 -9.187 10.399 -0.136 623 HD3 ARG 85 1HD ARG 85 -10.281 9.495 -1.182 624 HE ARG 85 HE ARG 85 -11.714 10.814 0.880 625 HH11 ARG 85 1HH1 ARG 85 -10.076 11.375 -2.145 626 HH12 ARG 85 2HH1 ARG 85 -11.006 12.782 -2.536 627 HH21 ARG 85 1HH2 ARG 85 -12.945 12.671 0.371 628 HH22 ARG 85 2HH2 ARG 85 -12.637 13.517 -1.109 629 H LEU 86 H LEU 86 -10.028 7.360 5.675 630 HA LEU 86 HA LEU 86 -12.250 7.534 7.009 631 HB2 LEU 86 2HB LEU 86 -10.480 7.071 8.367 632 HB3 LEU 86 1HB LEU 86 -9.524 8.407 7.765 633 HG LEU 86 HG LEU 86 -10.993 9.959 9.074 634 HD11 LEU 86 1HD1 LEU 86 -12.933 8.468 9.272 635 HD12 LEU 86 2HD1 LEU 86 -12.372 9.035 10.845 636 HD13 LEU 86 3HD1 LEU 86 -11.994 7.397 10.313 637 HD21 LEU 86 3HD2 LEU 86 -8.822 9.336 9.907 638 HD22 LEU 86 1HD2 LEU 86 -9.471 7.836 10.576 639 HD23 LEU 86 2HD2 LEU 86 -9.971 9.389 11.247 640 H VAL 87 H VAL 87 -10.354 10.542 6.669 641 HA VAL 87 HA VAL 87 -11.954 12.345 7.879 642 HB VAL 87 HB VAL 87 -11.308 13.858 5.754 643 HG11 VAL 87 1HG1 VAL 87 -9.174 14.316 6.929 644 HG12 VAL 87 2HG1 VAL 87 -9.468 12.903 7.944 645 HG13 VAL 87 3HG1 VAL 87 -10.571 14.279 8.006 646 HG21 VAL 87 3HG2 VAL 87 -9.402 11.523 5.712 647 HG22 VAL 87 1HG2 VAL 87 -9.143 13.056 4.878 648 HG23 VAL 87 2HG2 VAL 87 -10.494 12.021 4.416 649 H ASP 88 H ASP 88 -12.292 11.611 4.398 650 HA ASP 88 HA ASP 88 -14.969 12.781 4.482 651 HB2 ASP 88 2HB ASP 88 -13.223 13.415 2.726 652 HB3 ASP 88 1HB ASP 88 -13.508 11.829 2.024 653 H ASN 89 H ASN 89 -13.701 9.895 5.079 654 HA ASN 89 HA ASN 89 -14.386 7.736 5.039 655 HB2 ASN 89 2HB ASN 89 -17.108 9.019 4.795 656 HB3 ASN 89 1HB ASN 89 -16.788 7.364 5.307 657 HD21 ASN 89 1HD2 ASN 89 -16.581 10.724 6.168 658 HD22 ASN 89 2HD2 ASN 89 -16.298 10.483 7.855 659 H GLU 90 H GLU 90 -13.681 8.876 2.464 660 HA GLU 90 HA GLU 90 -15.536 7.851 0.520 661 HB2 GLU 90 2HB GLU 90 -12.698 8.847 0.266 662 HB3 GLU 90 1HB GLU 90 -13.686 8.351 -1.098 663 HG2 GLU 90 2HG GLU 90 -14.394 10.558 0.808 664 HG3 GLU 90 1HG GLU 90 -13.603 10.789 -0.748 665 H GLN 91 H GLN 91 -15.040 6.167 -1.011 666 HA GLN 91 HA GLN 91 -13.034 4.222 -0.153 667 HB2 GLN 91 2HB GLN 91 -15.200 3.595 0.896 668 HB3 GLN 91 1HB GLN 91 -15.915 3.487 -0.706 669 HG2 GLN 91 2HG GLN 91 -13.488 1.878 -0.067 670 HG3 GLN 91 1HG GLN 91 -15.065 1.349 0.513 671 HE21 GLN 91 1HE2 GLN 91 -16.507 2.380 -1.766 672 HE22 GLN 91 2HE2 GLN 91 -16.154 1.330 -3.092 673 H LEU 92 H LEU 92 -11.790 4.524 -1.942 674 HA LEU 92 HA LEU 92 -12.972 4.423 -4.591 675 HB2 LEU 92 2HB LEU 92 -10.072 4.632 -3.774 676 HB3 LEU 92 1HB LEU 92 -10.696 4.828 -5.398 677 HG LEU 92 HG LEU 92 -10.235 7.004 -4.596 678 HD11 LEU 92 1HD1 LEU 92 -13.189 6.515 -4.286 679 HD12 LEU 92 2HD1 LEU 92 -12.334 6.865 -5.789 680 HD13 LEU 92 3HD1 LEU 92 -12.426 8.088 -4.521 681 HD21 LEU 92 3HD2 LEU 92 -11.918 6.514 -2.156 682 HD22 LEU 92 1HD2 LEU 92 -10.863 7.885 -2.498 683 HD23 LEU 92 2HD2 LEU 92 -10.170 6.296 -2.181 684 H ASN 93 H ASN 93 -13.387 2.491 -5.487 685 HA ASN 93 HA ASN 93 -11.843 0.191 -4.562 686 HB2 ASN 93 2HB ASN 93 -13.653 -1.070 -5.930 687 HB3 ASN 93 1HB ASN 93 -14.097 -0.345 -4.392 688 HD21 ASN 93 1HD2 ASN 93 -16.254 -0.185 -4.951 689 HD22 ASN 93 2HD2 ASN 93 -16.831 0.962 -6.108 690 H LEU 94 H LEU 94 -9.990 0.119 -5.675 691 HA LEU 94 HA LEU 94 -9.918 0.395 -8.558 692 HB2 LEU 94 2HB LEU 94 -8.091 1.080 -6.837 693 HB3 LEU 94 1HB LEU 94 -7.682 -0.625 -6.816 694 HG LEU 94 HG LEU 94 -7.801 0.691 -9.469 695 HD11 LEU 94 1HD1 LEU 94 -6.651 2.392 -8.204 696 HD12 LEU 94 2HD1 LEU 94 -5.478 1.506 -9.182 697 HD13 LEU 94 3HD1 LEU 94 -5.612 1.178 -7.453 698 HD21 LEU 94 3HD2 LEU 94 -5.883 -1.256 -8.196 699 HD22 LEU 94 1HD2 LEU 94 -5.958 -0.814 -9.902 700 HD23 LEU 94 2HD2 LEU 94 -7.291 -1.700 -9.162 701 H GLU 95 H GLU 95 -11.452 -1.323 -8.934 702 HA GLU 95 HA GLU 95 -10.867 -4.007 -8.108 703 HB2 GLU 95 2HB GLU 95 -12.904 -3.104 -10.134 704 HB3 GLU 95 1HB GLU 95 -12.883 -4.618 -9.238 705 HG2 GLU 95 2HG GLU 95 -13.394 -3.531 -7.205 706 HG3 GLU 95 1HG GLU 95 -13.121 -1.937 -7.909 707 H ASP 96 H ASP 96 -11.646 -5.503 -10.232 708 HA ASP 96 HA ASP 96 -9.353 -6.246 -11.491 709 HB2 ASP 96 2HB ASP 96 -11.088 -7.013 -13.367 710 HB3 ASP 96 1HB ASP 96 -10.984 -7.810 -11.799 711 H GLU 97 H GLU 97 -11.813 -4.082 -12.885 712 HA GLU 97 HA GLU 97 -10.731 -3.631 -15.361 713 HB2 GLU 97 2HB GLU 97 -12.073 -1.618 -13.550 714 HB3 GLU 97 1HB GLU 97 -11.801 -1.387 -15.272 715 HG2 GLU 97 2HG GLU 97 -13.201 -3.349 -15.741 716 HG3 GLU 97 1HG GLU 97 -13.500 -3.528 -14.013 717 H ASP 98 H ASP 98 -9.346 -2.838 -12.375 718 HA ASP 98 HA ASP 98 -7.294 -1.212 -13.712 719 HB2 ASP 98 2HB ASP 98 -8.415 -0.829 -10.921 720 HB3 ASP 98 1HB ASP 98 -7.030 0.041 -11.580 721 H ILE 99 H ILE 99 -8.001 -3.962 -11.851 722 HA ILE 99 HA ILE 99 -5.352 -4.171 -10.661 723 HB ILE 99 HB ILE 99 -7.786 -5.942 -10.497 724 HG12 ILE 99 2HG1 ILE 99 -7.770 -3.769 -9.268 725 HG13 ILE 99 1HG1 ILE 99 -7.951 -5.183 -8.240 726 HG21 ILE 99 1HG2 ILE 99 -6.514 -7.175 -8.730 727 HG22 ILE 99 2HG2 ILE 99 -5.059 -6.352 -9.289 728 HG23 ILE 99 3HG2 ILE 99 -5.933 -7.434 -10.375 729 HD11 ILE 99 3HD1 ILE 99 -5.555 -5.036 -7.685 730 HD12 ILE 99 1HD1 ILE 99 -6.467 -3.604 -7.211 731 HD13 ILE 99 2HD1 ILE 99 -5.450 -3.564 -8.651 732 H GLU 100 H GLU 100 -7.267 -5.694 -13.200 733 HA GLU 100 HA GLU 100 -5.773 -7.913 -13.803 734 HB2 GLU 100 2HB GLU 100 -7.135 -6.008 -15.712 735 HB3 GLU 100 1HB GLU 100 -6.541 -7.600 -16.160 736 HG2 GLU 100 2HG GLU 100 -8.675 -7.020 -14.118 737 HG3 GLU 100 1HG GLU 100 -8.936 -7.629 -15.752 738 H SER 101 H SER 101 -5.253 -4.614 -15.028 739 HA SER 101 HA SER 101 -2.520 -5.423 -15.776 740 HB2 SER 101 2HB SER 101 -4.260 -3.292 -17.042 741 HB3 SER 101 1HB SER 101 -2.592 -3.644 -17.494 742 HG SER 101 HG SER 101 -4.184 -4.684 -18.832 743 H ILE 102 H ILE 102 -3.296 -4.542 -13.177 744 HA ILE 102 HA ILE 102 -2.857 -1.826 -12.702 745 HB ILE 102 HB ILE 102 -3.792 -3.343 -11.014 746 HG12 ILE 102 2HG1 ILE 102 -2.383 -2.507 -9.072 747 HG13 ILE 102 1HG1 ILE 102 -1.285 -1.833 -10.268 748 HG21 ILE 102 1HG2 ILE 102 -2.456 -5.307 -11.355 749 HG22 ILE 102 2HG2 ILE 102 -2.221 -4.758 -9.694 750 HG23 ILE 102 3HG2 ILE 102 -0.983 -4.443 -10.910 751 HD11 ILE 102 3HD1 ILE 102 -2.769 -0.126 -9.465 752 HD12 ILE 102 1HD1 ILE 102 -4.172 -1.105 -9.888 753 HD13 ILE 102 2HD1 ILE 102 -3.126 -0.473 -11.157 754 H ASP 103 H ASP 103 -1.072 -0.647 -12.149 755 HA ASP 103 HA ASP 103 1.552 -1.933 -12.266 756 HB2 ASP 103 2HB ASP 103 0.894 0.604 -13.775 757 HB3 ASP 103 1HB ASP 103 2.449 -0.221 -13.728 758 H ALA 104 H ALA 104 3.179 -0.811 -11.076 759 HA ALA 104 HA ALA 104 2.391 0.322 -8.703 760 HB1 ALA 104 1HB ALA 104 4.689 1.160 -8.469 761 HB2 ALA 104 2HB ALA 104 4.980 0.783 -10.168 762 HB3 ALA 104 3HB ALA 104 4.622 -0.513 -9.023 763 H THR 105 H THR 105 3.006 1.891 -11.772 764 HA THR 105 HA THR 105 2.914 4.566 -10.918 765 HB THR 105 HB THR 105 2.064 3.395 -13.574 766 HG1 THR 105 1HG THR 105 4.273 4.488 -14.001 767 HG21 THR 105 3HG2 THR 105 1.109 5.572 -13.354 768 HG22 THR 105 1HG2 THR 105 2.516 5.704 -14.409 769 HG23 THR 105 2HG2 THR 105 2.623 6.229 -12.728 770 H LYS 106 H LYS 106 0.371 2.431 -12.180 771 HA LYS 106 HA LYS 106 -1.751 4.236 -12.053 772 HB2 LYS 106 2HB LYS 106 -1.851 1.235 -11.669 773 HB3 LYS 106 1HB LYS 106 -3.211 2.267 -12.091 774 HG2 LYS 106 2HG LYS 106 -2.217 2.799 -14.214 775 HG3 LYS 106 1HG LYS 106 -0.749 1.918 -13.787 776 HD2 LYS 106 2HD LYS 106 -2.034 0.494 -15.205 777 HD3 LYS 106 1HD LYS 106 -2.171 -0.143 -13.566 778 HE2 LYS 106 2HE LYS 106 -4.345 0.926 -13.316 779 HE3 LYS 106 1HE LYS 106 -4.205 1.614 -14.934 780 HZ1 LYS 106 3HZ LYS 106 -4.299 -1.287 -14.300 781 HZ2 LYS 106 1HZ LYS 106 -4.192 -0.616 -15.851 782 HZ3 LYS 106 2HZ LYS 106 -5.583 -0.374 -14.918 783 H LEU 107 H LEU 107 -1.014 1.640 -9.686 784 HA LEU 107 HA LEU 107 -2.885 2.293 -7.780 785 HB2 LEU 107 2HB LEU 107 -0.738 0.559 -7.918 786 HB3 LEU 107 1HB LEU 107 -0.285 1.624 -6.604 787 HG LEU 107 HG LEU 107 -2.536 -0.336 -6.761 788 HD11 LEU 107 1HD1 LEU 107 -1.740 -0.720 -4.395 789 HD12 LEU 107 2HD1 LEU 107 -0.405 0.376 -4.761 790 HD13 LEU 107 3HD1 LEU 107 -0.596 -1.122 -5.672 791 HD21 LEU 107 3HD2 LEU 107 -2.508 2.103 -4.985 792 HD22 LEU 107 1HD2 LEU 107 -3.553 0.701 -4.749 793 HD23 LEU 107 2HD2 LEU 107 -3.718 1.688 -6.199 794 H SER 108 H SER 108 0.495 3.440 -7.868 795 HA SER 108 HA SER 108 0.311 5.234 -5.733 796 HB2 SER 108 2HB SER 108 2.078 5.352 -8.188 797 HB3 SER 108 1HB SER 108 2.317 6.311 -6.727 798 HG SER 108 HG SER 108 3.394 4.070 -7.106 799 H ARG 109 H ARG 109 -0.686 5.519 -9.050 800 HA ARG 109 HA ARG 109 -0.963 8.344 -9.095 801 HB2 ARG 109 2HB ARG 109 -0.721 6.902 -11.123 802 HB3 ARG 109 1HB ARG 109 -2.327 6.270 -10.823 803 HG2 ARG 109 2HG ARG 109 -1.860 9.204 -11.201 804 HG3 ARG 109 1HG ARG 109 -2.055 8.111 -12.574 805 HD2 ARG 109 2HD ARG 109 -4.175 7.333 -11.242 806 HD3 ARG 109 1HD ARG 109 -4.026 8.918 -10.484 807 HE ARG 109 HE ARG 109 -5.132 8.409 -12.991 808 HH11 ARG 109 1HH1 ARG 109 -2.794 10.588 -11.585 809 HH12 ARG 109 2HH1 ARG 109 -3.111 11.858 -12.718 810 HH21 ARG 109 1HH2 ARG 109 -5.546 10.078 -14.480 811 HH22 ARG 109 2HH2 ARG 109 -4.670 11.567 -14.362 812 H PHE 110 H PHE 110 -3.478 5.831 -9.256 813 HA PHE 110 HA PHE 110 -5.694 7.311 -8.731 814 HB2 PHE 110 2HB PHE 110 -4.987 4.512 -7.860 815 HB3 PHE 110 1HB PHE 110 -6.564 5.222 -7.502 816 HD1 PHE 110 1HD PHE 110 -8.083 5.847 -9.349 817 HD2 PHE 110 2HD PHE 110 -4.448 3.743 -10.039 818 HE1 PHE 110 1HE PHE 110 -8.888 5.192 -11.580 819 HE2 PHE 110 2HE PHE 110 -5.245 3.088 -12.270 820 HZ PHE 110 HZ PHE 110 -7.468 3.812 -13.043 821 H ILE 111 H ILE 111 -3.397 6.040 -6.350 822 HA ILE 111 HA ILE 111 -4.755 6.977 -4.058 823 HB ILE 111 HB ILE 111 -1.807 6.460 -4.494 824 HG12 ILE 111 2HG1 ILE 111 -3.851 4.804 -3.011 825 HG13 ILE 111 1HG1 ILE 111 -3.422 4.536 -4.693 826 HG21 ILE 111 1HG2 ILE 111 -2.143 8.026 -2.651 827 HG22 ILE 111 2HG2 ILE 111 -1.599 6.453 -2.064 828 HG23 ILE 111 3HG2 ILE 111 -3.294 6.910 -1.912 829 HD11 ILE 111 3HD1 ILE 111 -2.229 2.997 -3.283 830 HD12 ILE 111 1HD1 ILE 111 -1.585 4.332 -2.326 831 HD13 ILE 111 2HD1 ILE 111 -1.095 4.138 -4.009 832 H GLU 112 H GLU 112 -1.954 8.320 -5.804 833 HA GLU 112 HA GLU 112 -1.701 10.711 -4.447 834 HB2 GLU 112 2HB GLU 112 -0.146 9.838 -6.207 835 HB3 GLU 112 1HB GLU 112 -1.321 10.328 -7.421 836 HG2 GLU 112 2HG GLU 112 -1.083 12.651 -6.726 837 HG3 GLU 112 1HG GLU 112 0.082 12.168 -5.494 838 H ILE 113 H ILE 113 -4.179 9.647 -6.512 839 HA ILE 113 HA ILE 113 -5.133 12.301 -7.171 840 HB ILE 113 HB ILE 113 -5.668 9.559 -8.105 841 HG12 ILE 113 2HG1 ILE 113 -5.725 10.666 -10.271 842 HG13 ILE 113 1HG1 ILE 113 -5.745 12.245 -9.488 843 HG21 ILE 113 1HG2 ILE 113 -7.834 10.057 -9.057 844 HG22 ILE 113 2HG2 ILE 113 -7.843 11.630 -8.257 845 HG23 ILE 113 3HG2 ILE 113 -7.887 10.150 -7.299 846 HD11 ILE 113 3HD1 ILE 113 -3.541 11.766 -10.321 847 HD12 ILE 113 1HD1 ILE 113 -3.501 10.243 -9.435 848 HD13 ILE 113 2HD1 ILE 113 -3.513 11.773 -8.559 849 H ASN 114 H ASN 114 -6.097 9.560 -5.126 850 HA ASN 114 HA ASN 114 -8.203 11.288 -3.997 851 HB2 ASN 114 2HB ASN 114 -8.161 8.272 -4.165 852 HB3 ASN 114 1HB ASN 114 -9.383 9.219 -3.320 853 HD21 ASN 114 1HD2 ASN 114 -10.679 10.683 -4.591 854 HD22 ASN 114 2HD2 ASN 114 -11.016 10.305 -6.245 855 H SER 115 H SER 115 -5.341 11.024 -3.195 856 HA SER 115 HA SER 115 -5.417 9.692 -0.640 857 HB2 SER 115 2HB SER 115 -3.131 10.544 -0.370 858 HB3 SER 115 1HB SER 115 -3.334 9.805 -1.958 859 HG SER 115 HG SER 115 -3.966 12.300 -2.304 860 H LEU 116 H LEU 116 -7.489 11.350 -0.603 861 HA LEU 116 HA LEU 116 -6.661 13.751 0.870 862 HB2 LEU 116 2HB LEU 116 -9.370 13.101 -0.280 863 HB3 LEU 116 1HB LEU 116 -8.849 14.639 0.386 864 HG LEU 116 HG LEU 116 -7.780 13.364 -2.133 865 HD11 LEU 116 1HD1 LEU 116 -8.931 15.209 -3.269 866 HD12 LEU 116 2HD1 LEU 116 -9.623 15.716 -1.729 867 HD13 LEU 116 3HD1 LEU 116 -10.054 14.151 -2.417 868 HD21 LEU 116 3HD2 LEU 116 -6.627 15.492 -2.471 869 HD22 LEU 116 1HD2 LEU 116 -6.090 14.702 -0.989 870 HD23 LEU 116 2HD2 LEU 116 -7.208 16.062 -0.906 Start of MODEL 13 1 H GLU 1 H GLU 1 20.473 -9.124 -15.241 2 HA GLU 1 HA GLU 1 19.085 -11.398 -16.215 3 HB2 GLU 1 2HB GLU 1 20.147 -10.778 -18.376 4 HB3 GLU 1 1HB GLU 1 21.726 -10.941 -17.621 5 HG2 GLU 1 2HG GLU 1 21.222 -12.911 -18.906 6 HG3 GLU 1 1HG GLU 1 21.257 -13.311 -17.188 7 H VAL 2 H VAL 2 19.260 -12.343 -14.266 8 HA VAL 2 HA VAL 2 21.914 -13.223 -13.431 9 HB VAL 2 HB VAL 2 21.527 -11.156 -12.167 10 HG11 VAL 2 1HG1 VAL 2 19.726 -11.004 -10.530 11 HG12 VAL 2 2HG1 VAL 2 19.097 -12.561 -11.066 12 HG13 VAL 2 3HG1 VAL 2 19.085 -11.181 -12.164 13 HG21 VAL 2 3HG2 VAL 2 21.875 -12.070 -9.915 14 HG22 VAL 2 1HG2 VAL 2 22.821 -12.931 -11.129 15 HG23 VAL 2 2HG2 VAL 2 21.347 -13.654 -10.484 16 H GLU 3 H GLU 3 21.939 -15.204 -12.469 17 HA GLU 3 HA GLU 3 19.343 -16.570 -12.250 18 HB2 GLU 3 2HB GLU 3 22.106 -17.726 -12.667 19 HB3 GLU 3 1HB GLU 3 20.623 -18.662 -12.539 20 HG2 GLU 3 2HG GLU 3 21.317 -16.682 -14.697 21 HG3 GLU 3 1HG GLU 3 21.267 -18.438 -14.849 22 H LYS 4 H LYS 4 19.024 -18.078 -10.520 23 HA LYS 4 HA LYS 4 18.988 -18.668 -8.326 24 HB2 LYS 4 2HB LYS 4 21.174 -19.639 -8.865 25 HB3 LYS 4 1HB LYS 4 21.953 -18.102 -8.512 26 HG2 LYS 4 2HG LYS 4 21.223 -18.278 -6.179 27 HG3 LYS 4 1HG LYS 4 20.467 -19.829 -6.542 28 HD2 LYS 4 2HD LYS 4 22.518 -20.444 -5.637 29 HD3 LYS 4 1HD LYS 4 22.811 -20.520 -7.375 30 HE2 LYS 4 2HE LYS 4 23.477 -18.141 -5.648 31 HE3 LYS 4 1HE LYS 4 24.625 -19.412 -6.062 32 HZ1 LYS 4 3HZ LYS 4 24.921 -17.600 -7.559 33 HZ2 LYS 4 1HZ LYS 4 23.274 -17.551 -7.936 34 HZ3 LYS 4 2HZ LYS 4 24.214 -18.866 -8.428 35 H SER 5 H SER 5 17.741 -17.058 -7.460 36 HA SER 5 HA SER 5 18.591 -14.430 -6.934 37 HB2 SER 5 2HB SER 5 16.590 -14.283 -5.494 38 HB3 SER 5 1HB SER 5 16.223 -15.039 -7.044 39 HG SER 5 HG SER 5 15.735 -16.011 -4.674 40 H SER 6 H SER 6 19.280 -13.415 -5.054 41 HA SER 6 HA SER 6 20.782 -15.116 -3.243 42 HB2 SER 6 2HB SER 6 20.617 -12.097 -3.437 43 HB3 SER 6 1HB SER 6 21.724 -12.993 -2.395 44 HG SER 6 HG SER 6 21.981 -13.948 -4.852 45 H ASP 7 H ASP 7 19.119 -16.092 -2.049 46 HA ASP 7 HA ASP 7 17.718 -16.352 -0.287 47 HB2 ASP 7 2HB ASP 7 19.474 -15.195 0.972 48 HB3 ASP 7 1HB ASP 7 18.781 -13.638 0.530 49 H GLY 8 H GLY 8 17.363 -12.829 -0.368 50 HA2 GLY 8 2HA GLY 8 15.016 -12.791 -1.955 51 HA3 GLY 8 1HA GLY 8 14.581 -12.847 -0.254 52 HA PRO 9 HA PRO 9 15.445 -8.411 -1.806 53 HB2 PRO 9 2HB PRO 9 12.635 -8.006 -0.991 54 HB3 PRO 9 1HB PRO 9 13.470 -7.476 -2.454 55 HG2 PRO 9 2HG PRO 9 11.675 -9.460 -2.519 56 HG3 PRO 9 1HG PRO 9 13.125 -9.484 -3.541 57 HD2 PRO 9 2HD PRO 9 12.572 -10.964 -0.997 58 HD3 PRO 9 1HD PRO 9 13.386 -11.524 -2.473 59 H GLY 10 H GLY 10 14.723 -6.367 -0.415 60 HA2 GLY 10 2HA GLY 10 15.761 -6.845 2.211 61 HA3 GLY 10 1HA GLY 10 15.213 -5.302 1.575 62 H ALA 11 H ALA 11 13.571 -4.459 2.653 63 HA ALA 11 HA ALA 11 11.193 -5.890 3.240 64 HB1 ALA 11 1HB ALA 11 12.609 -6.826 5.024 65 HB2 ALA 11 2HB ALA 11 11.273 -5.870 5.665 66 HB3 ALA 11 3HB ALA 11 12.901 -5.195 5.628 67 H ALA 12 H ALA 12 12.892 -3.352 5.055 68 HA ALA 12 HA ALA 12 12.442 -1.157 5.423 69 HB1 ALA 12 1HB ALA 12 10.860 -1.203 2.863 70 HB2 ALA 12 2HB ALA 12 12.621 -1.122 2.918 71 HB3 ALA 12 3HB ALA 12 11.656 0.176 3.623 72 H GLN 13 H GLN 13 9.422 -1.806 3.701 73 HA GLN 13 HA GLN 13 7.895 -2.016 6.141 74 HB2 GLN 13 2HB GLN 13 6.474 -0.047 5.648 75 HB3 GLN 13 1HB GLN 13 8.134 0.394 6.029 76 HG2 GLN 13 2HG GLN 13 8.533 0.476 3.527 77 HG3 GLN 13 1HG GLN 13 6.780 0.384 3.350 78 HE21 GLN 13 1HE2 GLN 13 5.509 2.120 4.040 79 HE22 GLN 13 2HE2 GLN 13 6.181 3.687 4.326 80 H GLU 14 H GLU 14 5.891 -2.937 5.821 81 HA GLU 14 HA GLU 14 5.046 -3.388 3.045 82 HB2 GLU 14 2HB GLU 14 4.643 -5.723 3.444 83 HB3 GLU 14 1HB GLU 14 6.306 -5.367 3.890 84 HG2 GLU 14 2HG GLU 14 5.583 -5.240 6.258 85 HG3 GLU 14 1HG GLU 14 3.975 -5.754 5.749 86 HA PRO 15 HA PRO 15 0.982 -2.390 4.396 87 HB2 PRO 15 2HB PRO 15 -0.573 -4.144 3.003 88 HB3 PRO 15 1HB PRO 15 0.205 -2.733 2.277 89 HG2 PRO 15 2HG PRO 15 1.054 -5.598 2.241 90 HG3 PRO 15 1HG PRO 15 1.100 -4.396 0.937 91 HD2 PRO 15 2HD PRO 15 3.291 -5.091 2.371 92 HD3 PRO 15 1HD PRO 15 3.061 -3.468 1.693 93 H THR 16 H THR 16 -0.516 -2.881 5.925 94 HA THR 16 HA THR 16 0.042 -4.913 7.783 95 HB THR 16 HB THR 16 -2.603 -3.483 7.515 96 HG1 THR 16 1HG THR 16 -0.471 -2.197 7.584 97 HG21 THR 16 3HG2 THR 16 -2.708 -3.760 9.927 98 HG22 THR 16 1HG2 THR 16 -1.123 -4.533 9.929 99 HG23 THR 16 2HG2 THR 16 -2.491 -5.328 9.150 100 H TRP 17 H TRP 17 -1.261 -6.688 8.457 101 HA TRP 17 HA TRP 17 -2.542 -8.066 6.210 102 HB2 TRP 17 2HB TRP 17 -1.509 -9.093 8.861 103 HB3 TRP 17 1HB TRP 17 -2.289 -10.096 7.643 104 HD1 TRP 17 HD TRP 17 -0.924 -10.197 5.191 105 HE1 TRP 17 1HE TRP 17 1.618 -10.284 4.792 106 HE3 TRP 17 3HE TRP 17 0.674 -8.419 9.712 107 HZ2 TRP 17 2HZ TRP 17 3.984 -9.681 6.205 108 HZ3 TRP 17 3HZ TRP 17 3.094 -8.206 10.108 109 HH2 TRP 17 HH TRP 17 4.714 -8.825 8.389 110 H LEU 18 H LEU 18 -4.557 -6.995 6.300 111 HA LEU 18 HA LEU 18 -6.136 -7.066 8.727 112 HB2 LEU 18 2HB LEU 18 -6.978 -6.292 5.935 113 HB3 LEU 18 1HB LEU 18 -7.814 -5.912 7.429 114 HG LEU 18 HG LEU 18 -5.073 -4.886 6.697 115 HD11 LEU 18 1HD1 LEU 18 -7.772 -3.571 6.529 116 HD12 LEU 18 2HD1 LEU 18 -6.670 -3.920 5.200 117 HD13 LEU 18 3HD1 LEU 18 -6.235 -2.716 6.412 118 HD21 LEU 18 3HD2 LEU 18 -5.324 -4.994 9.071 119 HD22 LEU 18 1HD2 LEU 18 -6.931 -4.275 8.984 120 HD23 LEU 18 2HD2 LEU 18 -5.513 -3.312 8.576 121 H THR 19 H THR 19 -5.963 -9.448 8.874 122 HA THR 19 HA THR 19 -7.255 -11.122 6.965 123 HB THR 19 HB THR 19 -6.983 -12.909 8.588 124 HG1 THR 19 1HG THR 19 -5.714 -11.700 10.576 125 HG21 THR 19 3HG2 THR 19 -4.592 -11.063 8.560 126 HG22 THR 19 1HG2 THR 19 -5.007 -12.236 7.311 127 HG23 THR 19 2HG2 THR 19 -4.557 -12.787 8.924 128 H ASP 20 H ASP 20 -8.613 -8.922 9.011 129 HA ASP 20 HA ASP 20 -11.155 -10.365 8.959 130 HB2 ASP 20 2HB ASP 20 -9.966 -9.139 11.454 131 HB3 ASP 20 1HB ASP 20 -11.638 -9.674 11.312 132 H VAL 21 H VAL 21 -12.994 -9.069 8.945 133 HA VAL 21 HA VAL 21 -12.798 -6.623 7.630 134 HB VAL 21 HB VAL 21 -15.139 -7.527 9.313 135 HG11 VAL 21 1HG1 VAL 21 -14.978 -5.678 6.935 136 HG12 VAL 21 2HG1 VAL 21 -15.277 -5.202 8.608 137 HG13 VAL 21 3HG1 VAL 21 -16.461 -6.185 7.745 138 HG21 VAL 21 3HG2 VAL 21 -14.476 -8.161 6.440 139 HG22 VAL 21 1HG2 VAL 21 -15.995 -8.549 7.247 140 HG23 VAL 21 2HG2 VAL 21 -14.493 -9.300 7.786 141 HA PRO 22 HA PRO 22 -13.768 -4.497 11.949 142 HB2 PRO 22 2HB PRO 22 -12.608 -5.873 14.051 143 HB3 PRO 22 1HB PRO 22 -14.328 -5.904 13.653 144 HG2 PRO 22 2HG PRO 22 -12.186 -7.870 12.960 145 HG3 PRO 22 1HG PRO 22 -13.857 -8.167 13.478 146 HD2 PRO 22 2HD PRO 22 -13.150 -8.386 10.913 147 HD3 PRO 22 1HD PRO 22 -14.722 -7.699 11.371 148 H ALA 23 H ALA 23 -10.858 -6.551 11.772 149 HA ALA 23 HA ALA 23 -9.086 -4.641 12.841 150 HB1 ALA 23 1HB ALA 23 -8.573 -7.058 12.675 151 HB2 ALA 23 2HB ALA 23 -7.303 -6.039 11.995 152 HB3 ALA 23 3HB ALA 23 -8.427 -6.877 10.925 153 H ALA 24 H ALA 24 -10.216 -5.328 9.625 154 HA ALA 24 HA ALA 24 -8.418 -3.692 8.192 155 HB1 ALA 24 1HB ALA 24 -9.733 -5.349 7.033 156 HB2 ALA 24 2HB ALA 24 -10.151 -3.755 6.400 157 HB3 ALA 24 3HB ALA 24 -11.235 -4.568 7.530 158 H MET 25 H MET 25 -11.806 -3.100 9.105 159 HA MET 25 HA MET 25 -11.893 -0.398 8.401 160 HB2 MET 25 2HB MET 25 -13.503 -1.754 10.567 161 HB3 MET 25 1HB MET 25 -13.935 -0.290 9.694 162 HG2 MET 25 2HG MET 25 -14.032 -1.612 7.609 163 HG3 MET 25 1HG MET 25 -13.712 -3.063 8.551 164 HE1 MET 25 3HE MET 25 -17.513 -0.485 9.006 165 HE2 MET 25 1HE MET 25 -16.229 -0.146 7.844 166 HE3 MET 25 2HE MET 25 -15.927 0.038 9.573 167 H GLU 26 H GLU 26 -10.581 -1.982 11.204 168 HA GLU 26 HA GLU 26 -10.613 0.309 12.911 169 HB2 GLU 26 2HB GLU 26 -9.319 -2.380 12.999 170 HB3 GLU 26 1HB GLU 26 -8.704 -1.116 14.058 171 HG2 GLU 26 2HG GLU 26 -11.101 -0.799 14.823 172 HG3 GLU 26 1HG GLU 26 -11.447 -2.319 13.997 173 H PHE 27 H PHE 27 -8.034 -1.291 11.040 174 HA PHE 27 HA PHE 27 -6.051 0.600 11.596 175 HB2 PHE 27 2HB PHE 27 -6.446 -1.478 9.504 176 HB3 PHE 27 1HB PHE 27 -5.237 -0.236 9.189 177 HD1 PHE 27 2HD PHE 27 -6.208 -2.968 11.461 178 HD2 PHE 27 1HD PHE 27 -3.171 -0.199 10.360 179 HE1 PHE 27 2HE PHE 27 -4.597 -4.185 12.864 180 HE2 PHE 27 1HE PHE 27 -1.553 -1.410 11.763 181 HZ PHE 27 HZ PHE 27 -2.266 -3.406 13.018 182 H ILE 28 H ILE 28 -8.669 0.557 9.293 183 HA ILE 28 HA ILE 28 -7.777 2.827 7.788 184 HB ILE 28 HB ILE 28 -10.425 1.405 8.001 185 HG12 ILE 28 2HG1 ILE 28 -8.653 1.809 5.589 186 HG13 ILE 28 1HG1 ILE 28 -8.454 0.452 6.698 187 HG21 ILE 28 1HG2 ILE 28 -11.203 2.868 6.135 188 HG22 ILE 28 2HG2 ILE 28 -9.800 3.895 6.421 189 HG23 ILE 28 3HG2 ILE 28 -11.021 3.699 7.677 190 HD11 ILE 28 3HD1 ILE 28 -9.781 -0.017 4.628 191 HD12 ILE 28 1HD1 ILE 28 -11.028 1.050 5.269 192 HD13 ILE 28 2HD1 ILE 28 -10.587 -0.418 6.145 193 H ALA 29 H ALA 29 -9.940 2.290 10.516 194 HA ALA 29 HA ALA 29 -10.887 4.975 10.672 195 HB1 ALA 29 1HB ALA 29 -11.777 4.286 12.869 196 HB2 ALA 29 2HB ALA 29 -10.920 2.751 12.711 197 HB3 ALA 29 3HB ALA 29 -12.206 3.164 11.578 198 H ALA 30 H ALA 30 -8.037 3.370 11.705 199 HA ALA 30 HA ALA 30 -7.400 5.413 13.695 200 HB1 ALA 30 1HB ALA 30 -6.935 3.081 14.251 201 HB2 ALA 30 2HB ALA 30 -5.451 4.034 14.203 202 HB3 ALA 30 3HB ALA 30 -5.856 2.962 12.862 203 H THR 31 H THR 31 -7.583 6.041 10.826 204 HA THR 31 HA THR 31 -5.240 7.636 10.603 205 HB THR 31 HB THR 31 -4.228 5.512 9.926 206 HG1 THR 31 1HG THR 31 -3.562 7.456 8.859 207 HG21 THR 31 3HG2 THR 31 -6.511 4.679 9.018 208 HG22 THR 31 1HG2 THR 31 -5.026 4.161 8.226 209 HG23 THR 31 2HG2 THR 31 -5.997 5.450 7.518 210 H GLU 32 H GLU 32 -5.326 9.102 8.844 211 HA GLU 32 HA GLU 32 -7.943 9.840 8.036 212 HB2 GLU 32 2HB GLU 32 -5.844 11.309 8.343 213 HB3 GLU 32 1HB GLU 32 -5.418 10.805 6.713 214 HG2 GLU 32 2HG GLU 32 -7.469 11.746 5.850 215 HG3 GLU 32 1HG GLU 32 -7.978 12.180 7.483 216 H VAL 33 H VAL 33 -5.164 8.845 6.013 217 HA VAL 33 HA VAL 33 -7.096 7.846 4.028 218 HB VAL 33 HB VAL 33 -4.193 8.491 3.529 219 HG11 VAL 33 1HG1 VAL 33 -6.531 8.031 1.674 220 HG12 VAL 33 2HG1 VAL 33 -5.139 6.967 1.910 221 HG13 VAL 33 3HG1 VAL 33 -4.922 8.554 1.167 222 HG21 VAL 33 3HG2 VAL 33 -5.273 10.528 4.213 223 HG22 VAL 33 1HG2 VAL 33 -6.631 10.215 3.129 224 HG23 VAL 33 2HG2 VAL 33 -5.034 10.568 2.467 225 H ALA 34 H ALA 34 -7.028 5.742 3.378 226 HA ALA 34 HA ALA 34 -4.820 4.061 4.307 227 HB1 ALA 34 1HB ALA 34 -6.464 2.346 5.087 228 HB2 ALA 34 2HB ALA 34 -7.725 3.566 4.915 229 HB3 ALA 34 3HB ALA 34 -6.411 3.816 6.064 230 H VAL 35 H VAL 35 -4.141 2.720 2.796 231 HA VAL 35 HA VAL 35 -5.985 2.028 0.607 232 HB VAL 35 HB VAL 35 -3.004 2.484 0.535 233 HG11 VAL 35 1HG1 VAL 35 -3.114 1.796 -1.839 234 HG12 VAL 35 2HG1 VAL 35 -4.775 1.264 -1.588 235 HG13 VAL 35 3HG1 VAL 35 -3.455 0.462 -0.737 236 HG21 VAL 35 3HG2 VAL 35 -4.363 4.467 0.341 237 HG22 VAL 35 1HG2 VAL 35 -5.361 3.700 -0.896 238 HG23 VAL 35 2HG2 VAL 35 -3.671 4.086 -1.238 239 H ILE 36 H ILE 36 -6.334 -0.060 0.217 240 HA ILE 36 HA ILE 36 -4.604 -2.026 1.536 241 HB ILE 36 HB ILE 36 -7.607 -1.934 1.755 242 HG12 ILE 36 2HG1 ILE 36 -5.709 -1.979 4.062 243 HG13 ILE 36 1HG1 ILE 36 -5.948 -0.467 3.197 244 HG21 ILE 36 1HG2 ILE 36 -6.983 -4.224 1.550 245 HG22 ILE 36 2HG2 ILE 36 -7.270 -3.912 3.264 246 HG23 ILE 36 3HG2 ILE 36 -5.618 -4.016 2.649 247 HD11 ILE 36 3HD1 ILE 36 -8.375 -0.686 3.622 248 HD12 ILE 36 1HD1 ILE 36 -7.391 -0.516 5.078 249 HD13 ILE 36 2HD1 ILE 36 -8.022 -2.099 4.616 250 H GLY 37 H GLY 37 -4.213 -3.830 0.431 251 HA2 GLY 37 2HA GLY 37 -5.435 -4.077 -2.214 252 HA3 GLY 37 1HA GLY 37 -3.948 -4.843 -1.693 253 H PHE 38 H PHE 38 -7.372 -5.123 -1.932 254 HA PHE 38 HA PHE 38 -7.535 -7.534 -0.323 255 HB2 PHE 38 2HB PHE 38 -9.622 -6.318 -2.153 256 HB3 PHE 38 1HB PHE 38 -9.890 -7.537 -0.911 257 HD1 PHE 38 2HD PHE 38 -8.620 -4.061 -1.315 258 HD2 PHE 38 1HD PHE 38 -10.597 -6.882 1.182 259 HE1 PHE 38 2HE PHE 38 -9.064 -2.292 0.328 260 HE2 PHE 38 1HE PHE 38 -11.046 -5.110 2.828 261 HZ PHE 38 HZ PHE 38 -10.279 -2.814 2.404 262 H PHE 39 H PHE 39 -6.236 -9.044 -1.301 263 HA PHE 39 HA PHE 39 -6.895 -9.750 -4.084 264 HB2 PHE 39 2HB PHE 39 -4.340 -10.408 -2.627 265 HB3 PHE 39 1HB PHE 39 -4.659 -10.540 -4.356 266 HD1 PHE 39 2HD PHE 39 -5.890 -7.985 -4.993 267 HD2 PHE 39 1HD PHE 39 -2.643 -8.861 -2.389 268 HE1 PHE 39 2HE PHE 39 -5.011 -5.715 -5.334 269 HE2 PHE 39 1HE PHE 39 -1.758 -6.591 -2.722 270 HZ PHE 39 HZ PHE 39 -2.943 -5.014 -4.197 271 H GLN 40 H GLN 40 -7.342 -11.821 -4.635 272 HA GLN 40 HA GLN 40 -7.899 -13.681 -2.463 273 HB2 GLN 40 2HB GLN 40 -8.450 -13.871 -5.438 274 HB3 GLN 40 1HB GLN 40 -8.962 -15.054 -4.243 275 HG2 GLN 40 2HG GLN 40 -10.354 -13.368 -3.162 276 HG3 GLN 40 1HG GLN 40 -9.835 -12.174 -4.351 277 HE21 GLN 40 1HE2 GLN 40 -12.505 -13.186 -3.722 278 HE22 GLN 40 2HE2 GLN 40 -13.137 -13.813 -5.204 279 H ASP 41 H ASP 41 -5.349 -12.813 -4.234 280 HA ASP 41 HA ASP 41 -3.887 -15.247 -3.729 281 HB2 ASP 41 2HB ASP 41 -4.872 -15.656 -5.975 282 HB3 ASP 41 1HB ASP 41 -4.123 -14.166 -6.554 283 H LEU 42 H LEU 42 -1.975 -14.599 -2.915 284 HA LEU 42 HA LEU 42 -1.133 -11.854 -3.407 285 HB2 LEU 42 2HB LEU 42 -0.086 -13.901 -1.455 286 HB3 LEU 42 1HB LEU 42 0.486 -12.248 -1.582 287 HG LEU 42 HG LEU 42 -2.304 -13.087 -0.799 288 HD11 LEU 42 1HD1 LEU 42 -0.083 -11.869 0.839 289 HD12 LEU 42 2HD1 LEU 42 -0.616 -13.549 0.917 290 HD13 LEU 42 3HD1 LEU 42 -1.709 -12.253 1.404 291 HD21 LEU 42 3HD2 LEU 42 -2.457 -11.005 -1.943 292 HD22 LEU 42 1HD2 LEU 42 -1.027 -10.377 -1.119 293 HD23 LEU 42 2HD2 LEU 42 -2.517 -10.651 -0.215 294 H GLU 43 H GLU 43 -0.861 -13.320 -5.642 295 HA GLU 43 HA GLU 43 2.052 -13.412 -5.948 296 HB2 GLU 43 2HB GLU 43 0.127 -15.488 -7.008 297 HB3 GLU 43 1HB GLU 43 1.822 -15.381 -7.451 298 HG2 GLU 43 2HG GLU 43 2.483 -15.834 -5.183 299 HG3 GLU 43 1HG GLU 43 0.797 -15.833 -4.665 300 H ILE 44 H ILE 44 -0.603 -11.873 -6.700 301 HA ILE 44 HA ILE 44 -0.284 -11.682 -9.585 302 HB ILE 44 HB ILE 44 -2.095 -9.873 -9.278 303 HG12 ILE 44 2HG1 ILE 44 -2.703 -11.278 -6.721 304 HG13 ILE 44 1HG1 ILE 44 -1.548 -9.954 -6.709 305 HG21 ILE 44 1HG2 ILE 44 -2.815 -12.700 -8.512 306 HG22 ILE 44 2HG2 ILE 44 -2.422 -12.184 -10.154 307 HG23 ILE 44 3HG2 ILE 44 -3.833 -11.517 -9.335 308 HD11 ILE 44 3HD1 ILE 44 -3.384 -8.637 -7.918 309 HD12 ILE 44 1HD1 ILE 44 -3.550 -8.943 -6.189 310 HD13 ILE 44 2HD1 ILE 44 -4.453 -9.918 -7.349 311 HA PRO 45 HA PRO 45 2.312 -8.128 -9.904 312 HB2 PRO 45 2HB PRO 45 0.086 -6.798 -11.380 313 HB3 PRO 45 1HB PRO 45 1.776 -7.002 -11.848 314 HG2 PRO 45 2HG PRO 45 -0.111 -8.503 -12.956 315 HG3 PRO 45 1HG PRO 45 1.456 -9.210 -12.518 316 HD2 PRO 45 2HD PRO 45 -1.185 -9.445 -11.140 317 HD3 PRO 45 1HD PRO 45 0.099 -10.656 -11.337 318 H ALA 46 H ALA 46 -0.988 -7.679 -8.854 319 HA ALA 46 HA ALA 46 -0.820 -4.992 -8.033 320 HB1 ALA 46 1HB ALA 46 -2.895 -6.396 -8.395 321 HB2 ALA 46 2HB ALA 46 -2.900 -5.326 -6.993 322 HB3 ALA 46 3HB ALA 46 -2.605 -7.054 -6.783 323 H VAL 47 H VAL 47 -0.087 -8.003 -6.329 324 HA VAL 47 HA VAL 47 0.065 -6.910 -3.751 325 HB VAL 47 HB VAL 47 1.840 -9.189 -4.535 326 HG11 VAL 47 1HG1 VAL 47 0.135 -8.623 -2.111 327 HG12 VAL 47 2HG1 VAL 47 1.880 -8.400 -2.228 328 HG13 VAL 47 3HG1 VAL 47 1.190 -10.020 -2.328 329 HG21 VAL 47 3HG2 VAL 47 -0.060 -10.715 -4.362 330 HG22 VAL 47 1HG2 VAL 47 -0.263 -9.589 -5.703 331 HG23 VAL 47 2HG2 VAL 47 -1.154 -9.340 -4.203 332 HA PRO 48 HA PRO 48 4.878 -6.436 -4.439 333 HB2 PRO 48 2HB PRO 48 4.998 -6.209 -7.392 334 HB3 PRO 48 1HB PRO 48 6.092 -7.047 -6.283 335 HG2 PRO 48 2HG PRO 48 4.421 -8.413 -7.847 336 HG3 PRO 48 1HG PRO 48 4.751 -8.937 -6.183 337 HD2 PRO 48 2HD PRO 48 2.379 -7.474 -7.275 338 HD3 PRO 48 1HD PRO 48 2.438 -8.800 -6.100 339 H ILE 49 H ILE 49 2.695 -5.071 -6.843 340 HA ILE 49 HA ILE 49 3.901 -2.532 -7.023 341 HB ILE 49 HB ILE 49 1.274 -3.679 -7.805 342 HG12 ILE 49 2HG1 ILE 49 3.038 -1.987 -9.510 343 HG13 ILE 49 1HG1 ILE 49 3.574 -3.607 -9.080 344 HG21 ILE 49 1HG2 ILE 49 0.361 -1.689 -7.095 345 HG22 ILE 49 2HG2 ILE 49 0.766 -1.336 -8.775 346 HG23 ILE 49 3HG2 ILE 49 1.814 -0.769 -7.474 347 HD11 ILE 49 3HD1 ILE 49 1.824 -4.616 -10.225 348 HD12 ILE 49 1HD1 ILE 49 2.321 -3.290 -11.278 349 HD13 ILE 49 2HD1 ILE 49 0.874 -3.131 -10.279 350 H LEU 50 H LEU 50 1.466 -3.868 -4.861 351 HA LEU 50 HA LEU 50 0.787 -1.351 -3.683 352 HB2 LEU 50 2HB LEU 50 -0.816 -3.135 -3.567 353 HB3 LEU 50 1HB LEU 50 0.334 -4.189 -2.776 354 HG LEU 50 HG LEU 50 0.324 -2.589 -0.829 355 HD11 LEU 50 1HD1 LEU 50 -2.109 -1.469 -2.210 356 HD12 LEU 50 2HD1 LEU 50 -0.552 -0.650 -2.084 357 HD13 LEU 50 3HD1 LEU 50 -1.481 -1.008 -0.628 358 HD21 LEU 50 3HD2 LEU 50 -2.416 -3.697 -1.391 359 HD22 LEU 50 1HD2 LEU 50 -1.575 -3.554 0.155 360 HD23 LEU 50 2HD2 LEU 50 -1.032 -4.738 -1.036 361 H HIS 51 H HIS 51 2.745 -4.132 -2.594 362 HA HIS 51 HA HIS 51 3.714 -3.068 -0.229 363 HB2 HIS 51 2HB HIS 51 4.989 -4.929 -2.232 364 HB3 HIS 51 1HB HIS 51 5.810 -4.465 -0.746 365 HD1 HIS 51 1HD HIS 51 2.281 -5.727 -1.482 366 HD2 HIS 51 2HD HIS 51 5.509 -6.447 1.035 367 HE1 HIS 51 1HE HIS 51 1.559 -7.613 0.018 368 HE2 HIS 51 2HE HIS 51 3.494 -7.971 1.590 369 H SER 52 H SER 52 4.455 -2.295 -3.510 370 HA SER 52 HA SER 52 6.883 -0.852 -2.936 371 HB2 SER 52 2HB SER 52 6.593 -1.929 -5.117 372 HB3 SER 52 1HB SER 52 5.172 -0.932 -5.435 373 HG SER 52 HG SER 52 6.569 0.390 -6.277 374 H MET 53 H MET 53 3.540 0.011 -3.824 375 HA MET 53 HA MET 53 3.883 2.786 -3.804 376 HB2 MET 53 2HB MET 53 1.589 2.958 -3.957 377 HB3 MET 53 1HB MET 53 1.842 1.320 -4.533 378 HG2 MET 53 2HG MET 53 0.046 1.105 -3.104 379 HG3 MET 53 1HG MET 53 1.409 0.620 -2.101 380 HE1 MET 53 3HE MET 53 0.268 1.003 0.254 381 HE2 MET 53 1HE MET 53 -1.203 1.184 -0.701 382 HE3 MET 53 2HE MET 53 -0.819 2.357 0.559 383 H VAL 54 H VAL 54 3.628 0.471 -1.272 384 HA VAL 54 HA VAL 54 2.788 1.970 0.891 385 HB VAL 54 HB VAL 54 4.838 -0.230 0.759 386 HG11 VAL 54 1HG1 VAL 54 3.537 0.958 3.200 387 HG12 VAL 54 2HG1 VAL 54 5.240 1.096 2.760 388 HG13 VAL 54 3HG1 VAL 54 4.558 -0.479 3.173 389 HG21 VAL 54 3HG2 VAL 54 1.892 -0.108 1.208 390 HG22 VAL 54 1HG2 VAL 54 2.838 -1.411 1.927 391 HG23 VAL 54 2HG2 VAL 54 2.828 -1.191 0.179 392 H GLN 55 H GLN 55 6.094 1.593 -0.363 393 HA GLN 55 HA GLN 55 7.193 3.429 1.540 394 HB2 GLN 55 2HB GLN 55 8.513 2.562 -1.011 395 HB3 GLN 55 1HB GLN 55 9.259 3.034 0.510 396 HG2 GLN 55 2HG GLN 55 8.445 0.998 1.558 397 HG3 GLN 55 1HG GLN 55 7.661 0.527 0.050 398 HE21 GLN 55 1HE2 GLN 55 9.865 1.554 -1.579 399 HE22 GLN 55 2HE2 GLN 55 11.147 0.407 -1.419 400 H LYS 56 H LYS 56 5.418 3.783 -1.269 401 HA LYS 56 HA LYS 56 6.652 6.313 -2.051 402 HB2 LYS 56 2HB LYS 56 4.319 4.818 -3.265 403 HB3 LYS 56 1HB LYS 56 5.078 6.256 -3.934 404 HG2 LYS 56 2HG LYS 56 7.164 5.017 -4.225 405 HG3 LYS 56 1HG LYS 56 6.393 3.572 -3.565 406 HD2 LYS 56 2HD LYS 56 6.277 3.307 -5.895 407 HD3 LYS 56 1HD LYS 56 4.667 3.861 -5.427 408 HE2 LYS 56 2HE LYS 56 5.315 5.082 -7.369 409 HE3 LYS 56 1HE LYS 56 5.396 6.181 -5.992 410 HZ1 LYS 56 3HZ LYS 56 7.323 6.438 -7.407 411 HZ2 LYS 56 1HZ LYS 56 7.703 4.797 -7.248 412 HZ3 LYS 56 2HZ LYS 56 7.791 5.820 -5.904 413 H PHE 57 H PHE 57 4.096 5.070 -0.173 414 HA PHE 57 HA PHE 57 3.075 7.784 0.254 415 HB2 PHE 57 2HB PHE 57 1.487 5.333 -0.435 416 HB3 PHE 57 1HB PHE 57 0.763 6.663 0.462 417 HD1 PHE 57 2HD PHE 57 0.380 8.812 -0.587 418 HD2 PHE 57 1HD PHE 57 2.087 5.574 -2.757 419 HE1 PHE 57 2HE PHE 57 -0.065 9.997 -2.696 420 HE2 PHE 57 1HE PHE 57 1.647 6.754 -4.870 421 HZ PHE 57 HZ PHE 57 0.570 8.969 -4.842 422 HA PRO 58 HA PRO 58 4.239 5.391 4.197 423 HB2 PRO 58 2HB PRO 58 5.279 7.744 5.288 424 HB3 PRO 58 1HB PRO 58 6.226 6.443 4.557 425 HG2 PRO 58 2HG PRO 58 5.289 9.015 3.356 426 HG3 PRO 58 1HG PRO 58 6.839 8.176 3.145 427 HD2 PRO 58 2HD PRO 58 4.981 8.060 1.246 428 HD3 PRO 58 1HD PRO 58 5.928 6.618 1.661 429 H GLY 59 H GLY 59 3.010 8.684 3.662 430 HA2 GLY 59 2HA GLY 59 1.651 9.003 6.086 431 HA3 GLY 59 1HA GLY 59 1.230 9.808 4.579 432 H VAL 60 H VAL 60 0.647 7.530 3.052 433 HA VAL 60 HA VAL 60 -2.050 7.041 3.791 434 HB VAL 60 HB VAL 60 -0.235 5.928 1.662 435 HG11 VAL 60 1HG1 VAL 60 -2.128 4.666 0.748 436 HG12 VAL 60 2HG1 VAL 60 -3.095 5.092 2.161 437 HG13 VAL 60 3HG1 VAL 60 -1.669 4.071 2.344 438 HG21 VAL 60 3HG2 VAL 60 -1.083 8.143 1.272 439 HG22 VAL 60 1HG2 VAL 60 -2.730 7.620 1.622 440 HG23 VAL 60 2HG2 VAL 60 -1.902 7.023 0.185 441 H SER 61 H SER 61 -3.011 5.166 4.615 442 HA SER 61 HA SER 61 -1.269 3.554 6.259 443 HB2 SER 61 2HB SER 61 -3.414 4.330 7.157 444 HB3 SER 61 1HB SER 61 -4.268 3.428 5.909 445 HG SER 61 HG SER 61 -3.594 2.542 8.245 446 H PHE 62 H PHE 62 -0.104 2.174 5.063 447 HA PHE 62 HA PHE 62 -1.051 0.736 2.831 448 HB2 PHE 62 2HB PHE 62 1.004 -0.761 3.423 449 HB3 PHE 62 1HB PHE 62 1.266 0.902 2.902 450 HD1 PHE 62 1HD PHE 62 1.309 -1.384 5.779 451 HD2 PHE 62 2HD PHE 62 2.124 2.560 4.401 452 HE1 PHE 62 1HE PHE 62 2.566 -0.928 7.842 453 HE2 PHE 62 2HE PHE 62 3.382 3.024 6.463 454 HZ PHE 62 HZ PHE 62 3.605 1.280 8.187 455 H GLY 63 H GLY 63 -2.285 -1.004 2.704 456 HA2 GLY 63 2HA GLY 63 -2.326 -2.915 4.921 457 HA3 GLY 63 1HA GLY 63 -3.849 -2.175 4.447 458 H ILE 64 H ILE 64 -3.438 -4.919 4.379 459 HA ILE 64 HA ILE 64 -4.111 -5.458 1.648 460 HB ILE 64 HB ILE 64 -1.487 -5.512 1.941 461 HG12 ILE 64 2HG1 ILE 64 -3.025 -7.655 0.469 462 HG13 ILE 64 1HG1 ILE 64 -2.710 -6.028 -0.118 463 HG21 ILE 64 1HG2 ILE 64 -0.651 -7.774 2.403 464 HG22 ILE 64 2HG2 ILE 64 -2.278 -8.271 2.859 465 HG23 ILE 64 3HG2 ILE 64 -1.431 -7.055 3.811 466 HD11 ILE 64 3HD1 ILE 64 -0.296 -6.521 -0.076 467 HD12 ILE 64 1HD1 ILE 64 -1.201 -7.574 -1.163 468 HD13 ILE 64 2HD1 ILE 64 -0.670 -8.176 0.406 469 H SER 65 H SER 65 -5.212 -7.419 1.419 470 HA SER 65 HA SER 65 -5.359 -9.205 3.703 471 HB2 SER 65 2HB SER 65 -7.009 -7.547 4.330 472 HB3 SER 65 1HB SER 65 -7.763 -7.644 2.738 473 HG SER 65 HG SER 65 -8.281 -9.830 3.223 474 H THR 66 H THR 66 -6.548 -11.148 3.291 475 HA THR 66 HA THR 66 -7.155 -11.708 0.481 476 HB THR 66 HB THR 66 -5.993 -13.887 0.626 477 HG1 THR 66 1HG THR 66 -4.325 -13.321 2.655 478 HG21 THR 66 3HG2 THR 66 -3.770 -13.062 0.294 479 HG22 THR 66 1HG2 THR 66 -4.118 -11.603 1.220 480 HG23 THR 66 2HG2 THR 66 -4.897 -11.863 -0.341 481 H ASP 67 H ASP 67 -8.136 -11.686 3.587 482 HA ASP 67 HA ASP 67 -9.427 -14.183 3.904 483 HB2 ASP 67 2HB ASP 67 -8.956 -12.712 5.803 484 HB3 ASP 67 1HB ASP 67 -10.056 -11.499 5.152 485 H SER 68 H SER 68 -11.534 -14.807 3.529 486 HA SER 68 HA SER 68 -12.792 -13.694 1.250 487 HB2 SER 68 2HB SER 68 -12.963 -16.077 1.783 488 HB3 SER 68 1HB SER 68 -13.852 -15.697 3.258 489 HG SER 68 HG SER 68 -14.903 -16.172 0.964 490 H GLU 69 H GLU 69 -13.754 -13.745 4.687 491 HA GLU 69 HA GLU 69 -16.149 -12.397 4.502 492 HB2 GLU 69 2HB GLU 69 -14.106 -12.147 6.706 493 HB3 GLU 69 1HB GLU 69 -15.794 -11.676 6.820 494 HG2 GLU 69 2HG GLU 69 -15.663 -13.757 7.870 495 HG3 GLU 69 1HG GLU 69 -16.362 -14.082 6.286 496 H VAL 70 H VAL 70 -12.896 -11.016 4.683 497 HA VAL 70 HA VAL 70 -13.810 -8.326 4.759 498 HB VAL 70 HB VAL 70 -11.113 -9.486 4.055 499 HG11 VAL 70 1HG1 VAL 70 -11.937 -6.603 4.346 500 HG12 VAL 70 2HG1 VAL 70 -11.272 -7.388 2.911 501 HG13 VAL 70 3HG1 VAL 70 -10.264 -7.163 4.342 502 HG21 VAL 70 3HG2 VAL 70 -12.042 -9.640 6.428 503 HG22 VAL 70 1HG2 VAL 70 -11.849 -7.887 6.486 504 HG23 VAL 70 2HG2 VAL 70 -10.444 -8.921 6.231 505 H LEU 71 H LEU 71 -12.337 -10.279 2.169 506 HA LEU 71 HA LEU 71 -12.619 -8.397 0.120 507 HB2 LEU 71 2HB LEU 71 -12.297 -11.358 0.223 508 HB3 LEU 71 1HB LEU 71 -12.749 -10.624 -1.305 509 HG LEU 71 HG LEU 71 -10.739 -9.368 -1.416 510 HD11 LEU 71 1HD1 LEU 71 -10.186 -10.277 1.403 511 HD12 LEU 71 2HD1 LEU 71 -10.578 -8.639 0.878 512 HD13 LEU 71 3HD1 LEU 71 -9.061 -9.385 0.380 513 HD21 LEU 71 3HD2 LEU 71 -10.484 -11.674 -2.083 514 HD22 LEU 71 1HD2 LEU 71 -10.146 -12.149 -0.419 515 HD23 LEU 71 2HD2 LEU 71 -9.009 -11.118 -1.290 516 H THR 72 H THR 72 -14.956 -10.195 1.783 517 HA THR 72 HA THR 72 -16.945 -10.060 -0.338 518 HB THR 72 HB THR 72 -17.138 -11.046 2.517 519 HG1 THR 72 1HG THR 72 -16.947 -13.046 1.622 520 HG21 THR 72 3HG2 THR 72 -19.166 -11.005 0.281 521 HG22 THR 72 1HG2 THR 72 -19.313 -10.295 1.888 522 HG23 THR 72 2HG2 THR 72 -19.308 -12.049 1.698 523 H HIS 73 H HIS 73 -16.223 -8.632 2.799 524 HA HIS 73 HA HIS 73 -18.531 -7.082 3.104 525 HB2 HIS 73 2HB HIS 73 -16.864 -7.508 4.893 526 HB3 HIS 73 1HB HIS 73 -15.733 -6.444 4.064 527 HD1 HIS 73 1HD HIS 73 -15.796 -4.063 4.751 528 HD2 HIS 73 2HD HIS 73 -19.304 -6.060 5.735 529 HE1 HIS 73 1HE HIS 73 -17.161 -2.414 6.071 530 HE2 HIS 73 2HE HIS 73 -19.252 -3.664 6.708 531 H TYR 74 H TYR 74 -15.471 -6.426 1.460 532 HA TYR 74 HA TYR 74 -16.434 -3.799 0.631 533 HB2 TYR 74 2HB TYR 74 -13.782 -5.201 0.294 534 HB3 TYR 74 1HB TYR 74 -14.143 -3.645 -0.447 535 HD1 TYR 74 1HD TYR 74 -13.936 -5.378 2.835 536 HD2 TYR 74 2HD TYR 74 -13.872 -1.657 0.772 537 HE1 TYR 74 1HE TYR 74 -13.262 -4.246 4.910 538 HE2 TYR 74 2HE TYR 74 -13.196 -0.515 2.842 539 HH TYR 74 HH TYR 74 -13.319 -0.868 5.265 540 H ASN 75 H ASN 75 -17.329 -6.598 -0.335 541 HA ASN 75 HA ASN 75 -18.062 -7.568 -2.256 542 HB2 ASN 75 2HB ASN 75 -18.067 -4.670 -3.088 543 HB3 ASN 75 1HB ASN 75 -18.761 -5.962 -4.063 544 HD21 ASN 75 1HD2 ASN 75 -19.068 -4.061 -1.182 545 HD22 ASN 75 2HD2 ASN 75 -20.684 -4.532 -0.795 546 H ILE 76 H ILE 76 -15.132 -7.182 -1.887 547 HA ILE 76 HA ILE 76 -13.858 -6.607 -4.320 548 HB ILE 76 HB ILE 76 -12.915 -8.580 -2.237 549 HG12 ILE 76 2HG1 ILE 76 -13.507 -6.463 -1.176 550 HG13 ILE 76 1HG1 ILE 76 -11.765 -6.678 -1.192 551 HG21 ILE 76 1HG2 ILE 76 -10.662 -7.754 -3.035 552 HG22 ILE 76 2HG2 ILE 76 -11.519 -7.033 -4.395 553 HG23 ILE 76 3HG2 ILE 76 -11.563 -8.776 -4.151 554 HD11 ILE 76 3HD1 ILE 76 -11.561 -5.137 -3.042 555 HD12 ILE 76 1HD1 ILE 76 -12.430 -4.383 -1.707 556 HD13 ILE 76 2HD1 ILE 76 -13.314 -4.965 -3.118 557 H THR 77 H THR 77 -13.943 -7.640 -6.202 558 HA THR 77 HA THR 77 -14.149 -10.562 -6.232 559 HB THR 77 HB THR 77 -15.819 -10.497 -8.052 560 HG1 THR 77 1HG THR 77 -16.618 -7.914 -7.483 561 HG21 THR 77 3HG2 THR 77 -16.730 -9.091 -5.541 562 HG22 THR 77 1HG2 THR 77 -16.551 -10.835 -5.738 563 HG23 THR 77 2HG2 THR 77 -17.760 -9.962 -6.676 564 H GLY 78 H GLY 78 -11.788 -9.541 -6.646 565 HA2 GLY 78 2HA GLY 78 -10.799 -10.438 -8.975 566 HA3 GLY 78 1HA GLY 78 -11.371 -8.841 -9.433 567 H ASN 79 H ASN 79 -9.804 -9.946 -6.442 568 HA ASN 79 HA ASN 79 -8.013 -9.111 -5.305 569 HB2 ASN 79 2HB ASN 79 -6.913 -8.875 -8.110 570 HB3 ASN 79 1HB ASN 79 -5.958 -8.864 -6.631 571 HD21 ASN 79 1HD2 ASN 79 -7.878 -10.793 -8.791 572 HD22 ASN 79 2HD2 ASN 79 -7.366 -12.331 -8.194 573 H THR 80 H THR 80 -9.979 -7.262 -5.668 574 HA THR 80 HA THR 80 -9.116 -4.811 -6.814 575 HB THR 80 HB THR 80 -11.266 -5.382 -4.760 576 HG1 THR 80 1HG THR 80 -12.618 -5.243 -6.644 577 HG21 THR 80 3HG2 THR 80 -12.230 -3.237 -5.372 578 HG22 THR 80 1HG2 THR 80 -10.900 -2.934 -6.489 579 HG23 THR 80 2HG2 THR 80 -10.594 -3.009 -4.755 580 H ILE 81 H ILE 81 -8.554 -2.875 -5.778 581 HA ILE 81 HA ILE 81 -7.409 -3.125 -3.069 582 HB ILE 81 HB ILE 81 -6.443 -1.415 -5.375 583 HG12 ILE 81 2HG1 ILE 81 -5.155 -3.747 -3.941 584 HG13 ILE 81 1HG1 ILE 81 -5.794 -3.769 -5.582 585 HG21 ILE 81 1HG2 ILE 81 -6.267 -0.246 -3.226 586 HG22 ILE 81 2HG2 ILE 81 -4.681 -0.648 -3.890 587 HG23 ILE 81 3HG2 ILE 81 -5.352 -1.605 -2.571 588 HD11 ILE 81 3HD1 ILE 81 -3.423 -2.222 -4.574 589 HD12 ILE 81 1HD1 ILE 81 -4.111 -2.052 -6.190 590 HD13 ILE 81 2HD1 ILE 81 -3.421 -3.594 -5.682 591 H CYS 82 H CYS 82 -8.523 -1.926 -1.625 592 HA CYS 82 HA CYS 82 -10.109 0.303 -2.690 593 HB2 CYS 82 2HB CYS 82 -10.468 -1.278 -0.154 594 HB3 CYS 82 1HB CYS 82 -11.462 0.094 -0.624 595 HG CYS 82 HG CYS 82 -12.583 -1.114 -2.836 596 H LEU 83 H LEU 83 -9.830 2.314 -2.087 597 HA LEU 83 HA LEU 83 -7.882 2.902 0.028 598 HB2 LEU 83 2HB LEU 83 -7.015 3.864 -1.881 599 HB3 LEU 83 1HB LEU 83 -8.590 4.216 -2.553 600 HG LEU 83 HG LEU 83 -8.859 6.131 -1.127 601 HD11 LEU 83 1HD1 LEU 83 -7.379 6.802 0.572 602 HD12 LEU 83 2HD1 LEU 83 -6.157 5.624 0.087 603 HD13 LEU 83 3HD1 LEU 83 -7.654 5.080 0.845 604 HD21 LEU 83 3HD2 LEU 83 -6.121 6.039 -2.380 605 HD22 LEU 83 1HD2 LEU 83 -6.948 7.509 -1.867 606 HD23 LEU 83 2HD2 LEU 83 -7.629 6.521 -3.159 607 H PHE 84 H PHE 84 -9.027 3.220 1.873 608 HA PHE 84 HA PHE 84 -11.515 4.752 1.737 609 HB2 PHE 84 2HB PHE 84 -11.164 2.498 3.034 610 HB3 PHE 84 1HB PHE 84 -10.463 3.542 4.266 611 HD1 PHE 84 1HD PHE 84 -11.861 5.335 5.292 612 HD2 PHE 84 2HD PHE 84 -13.493 2.367 2.715 613 HE1 PHE 84 1HE PHE 84 -14.115 5.846 6.137 614 HE2 PHE 84 2HE PHE 84 -15.750 2.874 3.555 615 HZ PHE 84 HZ PHE 84 -16.064 4.616 5.267 616 H ARG 85 H ARG 85 -11.566 6.839 2.262 617 HA ARG 85 HA ARG 85 -9.231 7.961 3.665 618 HB2 ARG 85 2HB ARG 85 -11.126 9.808 2.350 619 HB3 ARG 85 1HB ARG 85 -9.367 9.815 2.375 620 HG2 ARG 85 2HG ARG 85 -9.324 8.037 0.709 621 HG3 ARG 85 1HG ARG 85 -11.094 8.030 0.676 622 HD2 ARG 85 2HD ARG 85 -9.231 10.229 -0.196 623 HD3 ARG 85 1HD ARG 85 -10.364 9.310 -1.188 624 HE ARG 85 HE ARG 85 -11.742 10.686 0.862 625 HH11 ARG 85 1HH1 ARG 85 -10.104 11.200 -2.169 626 HH12 ARG 85 2HH1 ARG 85 -11.011 12.620 -2.569 627 HH21 ARG 85 1HH2 ARG 85 -12.942 12.559 0.346 628 HH22 ARG 85 2HH2 ARG 85 -12.625 13.392 -1.139 629 H LEU 86 H LEU 86 -10.014 7.380 5.711 630 HA LEU 86 HA LEU 86 -12.219 7.536 7.081 631 HB2 LEU 86 2HB LEU 86 -10.381 7.168 8.397 632 HB3 LEU 86 1HB LEU 86 -9.512 8.551 7.762 633 HG LEU 86 HG LEU 86 -11.027 10.036 9.080 634 HD11 LEU 86 1HD1 LEU 86 -11.920 7.453 10.354 635 HD12 LEU 86 2HD1 LEU 86 -12.904 8.457 9.289 636 HD13 LEU 86 3HD1 LEU 86 -12.375 9.084 10.850 637 HD21 LEU 86 3HD2 LEU 86 -8.839 9.528 9.921 638 HD22 LEU 86 1HD2 LEU 86 -9.403 7.987 10.573 639 HD23 LEU 86 2HD2 LEU 86 -9.985 9.501 11.263 640 H VAL 87 H VAL 87 -10.399 10.567 6.637 641 HA VAL 87 HA VAL 87 -11.965 12.404 7.789 642 HB VAL 87 HB VAL 87 -11.477 13.763 5.491 643 HG11 VAL 87 1HG1 VAL 87 -9.348 14.430 6.567 644 HG12 VAL 87 2HG1 VAL 87 -9.555 13.112 7.721 645 HG13 VAL 87 3HG1 VAL 87 -10.719 14.436 7.675 646 HG21 VAL 87 3HG2 VAL 87 -9.277 12.961 4.669 647 HG22 VAL 87 1HG2 VAL 87 -10.608 11.860 4.307 648 HG23 VAL 87 2HG2 VAL 87 -9.495 11.496 5.630 649 H ASP 88 H ASP 88 -12.437 11.720 4.319 650 HA ASP 88 HA ASP 88 -15.158 12.719 4.547 651 HB2 ASP 88 2HB ASP 88 -13.385 12.051 2.208 652 HB3 ASP 88 1HB ASP 88 -15.100 12.412 2.005 653 H ASN 89 H ASN 89 -13.802 9.902 5.167 654 HA ASN 89 HA ASN 89 -14.448 7.727 5.228 655 HB2 ASN 89 2HB ASN 89 -17.223 8.872 4.883 656 HB3 ASN 89 1HB ASN 89 -16.802 7.312 5.589 657 HD21 ASN 89 1HD2 ASN 89 -15.937 7.232 7.655 658 HD22 ASN 89 2HD2 ASN 89 -15.993 8.581 8.733 659 H GLU 90 H GLU 90 -13.841 8.882 2.586 660 HA GLU 90 HA GLU 90 -15.660 7.741 0.694 661 HB2 GLU 90 2HB GLU 90 -12.804 8.640 0.289 662 HB3 GLU 90 1HB GLU 90 -13.977 8.317 -0.980 663 HG2 GLU 90 2HG GLU 90 -14.215 10.460 1.109 664 HG3 GLU 90 1HG GLU 90 -13.680 10.704 -0.550 665 H GLN 91 H GLN 91 -15.070 6.067 -0.855 666 HA GLN 91 HA GLN 91 -13.039 4.173 0.017 667 HB2 GLN 91 2HB GLN 91 -15.154 3.551 1.190 668 HB3 GLN 91 1HB GLN 91 -15.910 3.321 -0.380 669 HG2 GLN 91 2HG GLN 91 -13.397 1.851 0.233 670 HG3 GLN 91 1HG GLN 91 -14.909 1.303 0.956 671 HE21 GLN 91 1HE2 GLN 91 -13.061 1.613 -1.946 672 HE22 GLN 91 2HE2 GLN 91 -14.103 0.682 -2.962 673 H LEU 92 H LEU 92 -11.908 4.470 -1.850 674 HA LEU 92 HA LEU 92 -13.202 4.249 -4.427 675 HB2 LEU 92 2HB LEU 92 -10.262 4.438 -3.747 676 HB3 LEU 92 1HB LEU 92 -10.954 4.587 -5.350 677 HG LEU 92 HG LEU 92 -10.416 6.776 -4.644 678 HD11 LEU 92 1HD1 LEU 92 -12.594 7.904 -4.500 679 HD12 LEU 92 2HD1 LEU 92 -13.366 6.342 -4.229 680 HD13 LEU 92 3HD1 LEU 92 -12.549 6.669 -5.758 681 HD21 LEU 92 3HD2 LEU 92 -10.891 7.737 -2.563 682 HD22 LEU 92 1HD2 LEU 92 -10.306 6.116 -2.196 683 HD23 LEU 92 2HD2 LEU 92 -12.034 6.464 -2.138 684 H ASN 93 H ASN 93 -13.188 2.438 -5.732 685 HA ASN 93 HA ASN 93 -11.860 0.076 -4.575 686 HB2 ASN 93 2HB ASN 93 -13.625 -1.189 -5.990 687 HB3 ASN 93 1HB ASN 93 -14.131 -0.437 -4.484 688 HD21 ASN 93 1HD2 ASN 93 -14.291 -0.333 -7.941 689 HD22 ASN 93 2HD2 ASN 93 -15.575 0.818 -8.057 690 H LEU 94 H LEU 94 -9.949 0.117 -5.643 691 HA LEU 94 HA LEU 94 -9.789 0.372 -8.507 692 HB2 LEU 94 2HB LEU 94 -8.014 1.004 -6.714 693 HB3 LEU 94 1HB LEU 94 -7.621 -0.704 -6.717 694 HG LEU 94 HG LEU 94 -7.648 0.661 -9.344 695 HD11 LEU 94 1HD1 LEU 94 -5.335 1.463 -8.977 696 HD12 LEU 94 2HD1 LEU 94 -5.513 1.103 -7.261 697 HD13 LEU 94 3HD1 LEU 94 -6.529 2.332 -8.013 698 HD21 LEU 94 3HD2 LEU 94 -7.156 -1.728 -9.098 699 HD22 LEU 94 1HD2 LEU 94 -5.803 -1.335 -8.039 700 HD23 LEU 94 2HD2 LEU 94 -5.775 -0.837 -9.731 701 H GLU 95 H GLU 95 -11.289 -1.311 -9.035 702 HA GLU 95 HA GLU 95 -10.717 -4.034 -8.262 703 HB2 GLU 95 2HB GLU 95 -12.767 -3.047 -10.237 704 HB3 GLU 95 1HB GLU 95 -12.730 -4.608 -9.427 705 HG2 GLU 95 2HG GLU 95 -13.165 -3.588 -7.310 706 HG3 GLU 95 1HG GLU 95 -13.041 -1.974 -8.011 707 H ASP 96 H ASP 96 -11.522 -5.389 -10.546 708 HA ASP 96 HA ASP 96 -9.143 -5.968 -11.801 709 HB2 ASP 96 2HB ASP 96 -11.867 -6.274 -13.062 710 HB3 ASP 96 1HB ASP 96 -10.411 -7.187 -13.446 711 H GLU 97 H GLU 97 -11.606 -3.635 -12.832 712 HA GLU 97 HA GLU 97 -10.670 -3.047 -15.372 713 HB2 GLU 97 2HB GLU 97 -11.643 -0.777 -15.023 714 HB3 GLU 97 1HB GLU 97 -12.731 -2.083 -14.573 715 HG2 GLU 97 2HG GLU 97 -12.152 -1.745 -12.221 716 HG3 GLU 97 1HG GLU 97 -11.080 -0.425 -12.681 717 H ASP 98 H ASP 98 -9.151 -2.618 -12.407 718 HA ASP 98 HA ASP 98 -7.017 -1.041 -13.651 719 HB2 ASP 98 2HB ASP 98 -8.162 -0.676 -10.869 720 HB3 ASP 98 1HB ASP 98 -6.679 0.091 -11.446 721 H ILE 99 H ILE 99 -7.915 -3.822 -11.918 722 HA ILE 99 HA ILE 99 -5.291 -4.247 -10.723 723 HB ILE 99 HB ILE 99 -7.834 -5.882 -10.614 724 HG12 ILE 99 2HG1 ILE 99 -7.728 -3.755 -9.317 725 HG13 ILE 99 1HG1 ILE 99 -7.941 -5.186 -8.320 726 HG21 ILE 99 1HG2 ILE 99 -6.638 -7.248 -8.906 727 HG22 ILE 99 2HG2 ILE 99 -5.139 -6.448 -9.374 728 HG23 ILE 99 3HG2 ILE 99 -6.009 -7.444 -10.542 729 HD11 ILE 99 3HD1 ILE 99 -6.390 -3.659 -7.292 730 HD12 ILE 99 1HD1 ILE 99 -5.381 -3.661 -8.739 731 HD13 ILE 99 2HD1 ILE 99 -5.549 -5.131 -7.777 732 H GLU 100 H GLU 100 -7.335 -5.601 -13.272 733 HA GLU 100 HA GLU 100 -5.978 -7.873 -13.965 734 HB2 GLU 100 2HB GLU 100 -8.045 -7.154 -15.063 735 HB3 GLU 100 1HB GLU 100 -7.182 -5.839 -15.851 736 HG2 GLU 100 2HG GLU 100 -5.796 -7.494 -17.035 737 HG3 GLU 100 1HG GLU 100 -6.738 -8.783 -16.287 738 H SER 101 H SER 101 -5.191 -4.549 -14.869 739 HA SER 101 HA SER 101 -2.508 -5.467 -15.649 740 HB2 SER 101 2HB SER 101 -3.808 -4.932 -17.678 741 HB3 SER 101 1HB SER 101 -4.124 -3.318 -17.043 742 HG SER 101 HG SER 101 -1.529 -4.362 -17.512 743 H ILE 102 H ILE 102 -3.094 -4.639 -13.111 744 HA ILE 102 HA ILE 102 -2.762 -1.872 -12.656 745 HB ILE 102 HB ILE 102 -3.706 -3.346 -10.953 746 HG12 ILE 102 2HG1 ILE 102 -2.233 -2.563 -9.015 747 HG13 ILE 102 1HG1 ILE 102 -1.167 -1.878 -10.234 748 HG21 ILE 102 1HG2 ILE 102 -0.932 -4.529 -10.875 749 HG22 ILE 102 2HG2 ILE 102 -2.443 -5.348 -11.275 750 HG23 ILE 102 3HG2 ILE 102 -2.152 -4.789 -9.628 751 HD11 ILE 102 3HD1 ILE 102 -2.549 -0.132 -9.471 752 HD12 ILE 102 1HD1 ILE 102 -4.001 -1.117 -9.636 753 HD13 ILE 102 2HD1 ILE 102 -3.138 -0.575 -11.074 754 H ASP 103 H ASP 103 -0.997 -0.671 -12.129 755 HA ASP 103 HA ASP 103 1.641 -1.938 -12.216 756 HB2 ASP 103 2HB ASP 103 0.890 0.554 -13.758 757 HB3 ASP 103 1HB ASP 103 2.511 -0.120 -13.623 758 H ALA 104 H ALA 104 3.248 -0.810 -11.000 759 HA ALA 104 HA ALA 104 2.440 0.313 -8.634 760 HB1 ALA 104 1HB ALA 104 4.687 -0.481 -8.953 761 HB2 ALA 104 2HB ALA 104 4.722 1.192 -8.393 762 HB3 ALA 104 3HB ALA 104 5.022 0.824 -10.093 763 H THR 105 H THR 105 2.988 1.885 -11.709 764 HA THR 105 HA THR 105 2.868 4.566 -10.846 765 HB THR 105 HB THR 105 2.050 3.386 -13.508 766 HG1 THR 105 1HG THR 105 4.463 3.853 -12.341 767 HG21 THR 105 3HG2 THR 105 2.471 5.703 -14.336 768 HG22 THR 105 1HG2 THR 105 2.566 6.228 -12.657 769 HG23 THR 105 2HG2 THR 105 1.061 5.550 -13.285 770 H LYS 106 H LYS 106 0.377 2.365 -12.083 771 HA LYS 106 HA LYS 106 -1.779 4.141 -11.995 772 HB2 LYS 106 2HB LYS 106 -1.795 1.137 -11.634 773 HB3 LYS 106 1HB LYS 106 -3.198 2.127 -12.012 774 HG2 LYS 106 2HG LYS 106 -2.244 2.740 -14.140 775 HG3 LYS 106 1HG LYS 106 -0.759 1.865 -13.760 776 HD2 LYS 106 2HD LYS 106 -2.039 0.448 -15.177 777 HD3 LYS 106 1HD LYS 106 -2.182 -0.211 -13.547 778 HE2 LYS 106 2HE LYS 106 -4.345 -0.220 -14.633 779 HE3 LYS 106 1HE LYS 106 -4.346 0.930 -13.296 780 HZ1 LYS 106 3HZ LYS 106 -4.017 2.721 -14.879 781 HZ2 LYS 106 1HZ LYS 106 -5.418 1.848 -15.254 782 HZ3 LYS 106 2HZ LYS 106 -4.011 1.621 -16.164 783 H LEU 107 H LEU 107 -0.933 1.606 -9.599 784 HA LEU 107 HA LEU 107 -2.849 2.220 -7.704 785 HB2 LEU 107 2HB LEU 107 -0.620 0.555 -7.821 786 HB3 LEU 107 1HB LEU 107 -0.273 1.619 -6.475 787 HG LEU 107 HG LEU 107 -2.476 -0.395 -6.765 788 HD11 LEU 107 1HD1 LEU 107 -1.700 -0.927 -4.435 789 HD12 LEU 107 2HD1 LEU 107 -0.386 0.225 -4.687 790 HD13 LEU 107 3HD1 LEU 107 -0.514 -1.207 -5.708 791 HD21 LEU 107 3HD2 LEU 107 -3.545 0.524 -4.747 792 HD22 LEU 107 1HD2 LEU 107 -3.636 1.636 -6.112 793 HD23 LEU 107 2HD2 LEU 107 -2.465 1.917 -4.822 794 H SER 108 H SER 108 0.498 3.439 -7.843 795 HA SER 108 HA SER 108 0.295 5.248 -5.719 796 HB2 SER 108 2HB SER 108 2.045 5.423 -8.183 797 HB3 SER 108 1HB SER 108 2.291 6.323 -6.685 798 HG SER 108 HG SER 108 2.074 3.784 -6.020 799 H ARG 109 H ARG 109 -0.726 5.480 -9.035 800 HA ARG 109 HA ARG 109 -1.047 8.301 -9.097 801 HB2 ARG 109 2HB ARG 109 -0.816 6.879 -11.130 802 HB3 ARG 109 1HB ARG 109 -2.397 6.198 -10.800 803 HG2 ARG 109 2HG ARG 109 -2.033 9.149 -11.161 804 HG3 ARG 109 1HG ARG 109 -2.205 8.065 -12.545 805 HD2 ARG 109 2HD ARG 109 -4.320 7.218 -11.486 806 HD3 ARG 109 1HD ARG 109 -4.167 8.522 -10.303 807 HE ARG 109 HE ARG 109 -4.030 9.765 -12.737 808 HH11 ARG 109 1HH1 ARG 109 -6.321 7.670 -11.152 809 HH12 ARG 109 2HH1 ARG 109 -7.695 8.357 -11.953 810 HH21 ARG 109 1HH2 ARG 109 -5.833 10.674 -13.793 811 HH22 ARG 109 2HH2 ARG 109 -7.417 10.063 -13.454 812 H PHE 110 H PHE 110 -3.528 5.756 -9.221 813 HA PHE 110 HA PHE 110 -5.758 7.205 -8.685 814 HB2 PHE 110 2HB PHE 110 -4.966 4.408 -7.961 815 HB3 PHE 110 1HB PHE 110 -6.472 5.061 -7.317 816 HD1 PHE 110 1HD PHE 110 -4.685 4.077 -10.365 817 HD2 PHE 110 2HD PHE 110 -8.359 5.470 -8.731 818 HE1 PHE 110 1HE PHE 110 -5.823 3.543 -12.479 819 HE2 PHE 110 2HE PHE 110 -9.504 4.937 -10.842 820 HZ PHE 110 HZ PHE 110 -8.237 3.972 -12.720 821 H ILE 111 H ILE 111 -3.445 5.961 -6.309 822 HA ILE 111 HA ILE 111 -4.788 6.905 -4.017 823 HB ILE 111 HB ILE 111 -1.841 6.411 -4.480 824 HG12 ILE 111 2HG1 ILE 111 -3.852 4.758 -2.947 825 HG13 ILE 111 1HG1 ILE 111 -3.457 4.477 -4.636 826 HG21 ILE 111 1HG2 ILE 111 -1.624 6.419 -2.039 827 HG22 ILE 111 2HG2 ILE 111 -3.311 6.906 -1.896 828 HG23 ILE 111 3HG2 ILE 111 -2.141 7.989 -2.655 829 HD11 ILE 111 3HD1 ILE 111 -1.532 4.337 -2.333 830 HD12 ILE 111 1HD1 ILE 111 -1.138 4.048 -4.028 831 HD13 ILE 111 2HD1 ILE 111 -2.242 2.965 -3.182 832 H GLU 112 H GLU 112 -2.050 8.276 -5.836 833 HA GLU 112 HA GLU 112 -1.818 10.683 -4.480 834 HB2 GLU 112 2HB GLU 112 -0.260 9.792 -6.245 835 HB3 GLU 112 1HB GLU 112 -1.438 10.295 -7.455 836 HG2 GLU 112 2HG GLU 112 -1.193 12.612 -6.740 837 HG3 GLU 112 1HG GLU 112 -0.027 12.117 -5.515 838 H ILE 113 H ILE 113 -4.274 9.561 -6.545 839 HA ILE 113 HA ILE 113 -5.273 12.185 -7.250 840 HB ILE 113 HB ILE 113 -5.750 9.422 -8.119 841 HG12 ILE 113 2HG1 ILE 113 -6.032 10.529 -10.292 842 HG13 ILE 113 1HG1 ILE 113 -5.997 12.100 -9.498 843 HG21 ILE 113 1HG2 ILE 113 -7.994 9.932 -9.050 844 HG22 ILE 113 2HG2 ILE 113 -8.042 11.364 -8.021 845 HG23 ILE 113 3HG2 ILE 113 -7.954 9.758 -7.297 846 HD11 ILE 113 3HD1 ILE 113 -3.739 10.113 -9.514 847 HD12 ILE 113 1HD1 ILE 113 -3.708 11.730 -8.812 848 HD13 ILE 113 2HD1 ILE 113 -3.866 11.528 -10.558 849 H ASN 114 H ASN 114 -6.123 9.511 -5.091 850 HA ASN 114 HA ASN 114 -8.222 11.241 -3.960 851 HB2 ASN 114 2HB ASN 114 -8.251 8.238 -4.275 852 HB3 ASN 114 1HB ASN 114 -9.424 9.145 -3.317 853 HD21 ASN 114 1HD2 ASN 114 -9.640 7.493 -5.808 854 HD22 ASN 114 2HD2 ASN 114 -10.463 8.510 -6.935 855 H SER 115 H SER 115 -5.390 10.972 -3.155 856 HA SER 115 HA SER 115 -5.473 9.582 -0.624 857 HB2 SER 115 2HB SER 115 -3.182 10.444 -0.328 858 HB3 SER 115 1HB SER 115 -3.378 9.681 -1.907 859 HG SER 115 HG SER 115 -3.985 12.128 -2.362 860 H LEU 116 H LEU 116 -7.527 11.307 -0.652 861 HA LEU 116 HA LEU 116 -6.704 13.681 0.849 862 HB2 LEU 116 2HB LEU 116 -9.427 12.995 -0.241 863 HB3 LEU 116 1HB LEU 116 -8.905 14.545 0.398 864 HG LEU 116 HG LEU 116 -7.884 13.252 -2.133 865 HD11 LEU 116 1HD1 LEU 116 -9.675 15.646 -1.751 866 HD12 LEU 116 2HD1 LEU 116 -10.194 14.055 -2.305 867 HD13 LEU 116 3HD1 LEU 116 -9.084 15.012 -3.287 868 HD21 LEU 116 3HD2 LEU 116 -6.749 15.385 -2.515 869 HD22 LEU 116 1HD2 LEU 116 -6.172 14.605 -1.043 870 HD23 LEU 116 2HD2 LEU 116 -7.294 15.960 -0.939 Start of MODEL 14 1 H GLU 1 H GLU 1 30.331 -23.833 -0.596 2 HA GLU 1 HA GLU 1 27.757 -24.836 0.035 3 HB2 GLU 1 2HB GLU 1 26.956 -23.110 1.618 4 HB3 GLU 1 1HB GLU 1 28.183 -24.153 2.323 5 HG2 GLU 1 2HG GLU 1 29.866 -22.428 1.965 6 HG3 GLU 1 1HG GLU 1 28.646 -21.384 1.237 7 H VAL 2 H VAL 2 26.014 -23.088 -0.391 8 HA VAL 2 HA VAL 2 26.870 -20.864 -2.017 9 HB VAL 2 HB VAL 2 27.026 -22.667 -3.654 10 HG11 VAL 2 1HG1 VAL 2 24.999 -23.903 -4.339 11 HG12 VAL 2 2HG1 VAL 2 24.135 -23.190 -2.977 12 HG13 VAL 2 3HG1 VAL 2 25.500 -24.268 -2.689 13 HG21 VAL 2 3HG2 VAL 2 24.617 -20.908 -4.117 14 HG22 VAL 2 1HG2 VAL 2 25.542 -21.742 -5.365 15 HG23 VAL 2 2HG2 VAL 2 26.298 -20.463 -4.413 16 H GLU 3 H GLU 3 25.294 -19.315 -2.263 17 HA GLU 3 HA GLU 3 22.608 -19.943 -1.251 18 HB2 GLU 3 2HB GLU 3 24.213 -17.493 -0.499 19 HB3 GLU 3 1HB GLU 3 22.564 -17.840 0.002 20 HG2 GLU 3 2HG GLU 3 23.339 -19.798 1.229 21 HG3 GLU 3 1HG GLU 3 24.993 -19.467 0.716 22 H LYS 4 H LYS 4 21.034 -19.247 -2.541 23 HA LYS 4 HA LYS 4 21.688 -17.729 -4.903 24 HB2 LYS 4 2HB LYS 4 20.106 -19.641 -4.944 25 HB3 LYS 4 1HB LYS 4 19.002 -18.720 -3.931 26 HG2 LYS 4 2HG LYS 4 18.256 -18.587 -6.196 27 HG3 LYS 4 1HG LYS 4 18.873 -17.005 -5.716 28 HD2 LYS 4 2HD LYS 4 20.972 -17.458 -6.864 29 HD3 LYS 4 1HD LYS 4 20.399 -19.068 -7.302 30 HE2 LYS 4 2HE LYS 4 19.154 -16.459 -8.166 31 HE3 LYS 4 1HE LYS 4 20.186 -17.484 -9.164 32 HZ1 LYS 4 3HZ LYS 4 18.546 -19.242 -9.006 33 HZ2 LYS 4 1HZ LYS 4 17.837 -17.838 -9.630 34 HZ3 LYS 4 2HZ LYS 4 17.563 -18.282 -8.021 35 H SER 5 H SER 5 21.617 -15.587 -5.060 36 HA SER 5 HA SER 5 19.534 -14.033 -3.869 37 HB2 SER 5 2HB SER 5 20.983 -12.619 -2.452 38 HB3 SER 5 1HB SER 5 20.955 -14.291 -1.892 39 HG SER 5 HG SER 5 23.071 -13.669 -1.912 40 H SER 6 H SER 6 19.607 -11.791 -4.501 41 HA SER 6 HA SER 6 21.612 -11.027 -6.467 42 HB2 SER 6 2HB SER 6 19.900 -12.180 -7.806 43 HB3 SER 6 1HB SER 6 18.657 -11.125 -7.134 44 HG SER 6 HG SER 6 19.136 -9.836 -8.709 45 H ASP 7 H ASP 7 19.639 -10.315 -3.919 46 HA ASP 7 HA ASP 7 20.367 -7.556 -3.909 47 HB2 ASP 7 2HB ASP 7 18.074 -6.632 -3.901 48 HB3 ASP 7 1HB ASP 7 18.474 -7.386 -5.441 49 H GLY 8 H GLY 8 20.532 -6.876 -1.855 50 HA2 GLY 8 2HA GLY 8 19.543 -8.665 0.241 51 HA3 GLY 8 1HA GLY 8 20.763 -7.417 0.437 52 HA PRO 9 HA PRO 9 17.829 -4.741 2.347 53 HB2 PRO 9 2HB PRO 9 18.849 -2.567 0.594 54 HB3 PRO 9 1HB PRO 9 18.742 -2.635 2.356 55 HG2 PRO 9 2HG PRO 9 21.090 -2.896 1.130 56 HG3 PRO 9 1HG PRO 9 20.694 -3.872 2.559 57 HD2 PRO 9 2HD PRO 9 20.708 -4.655 -0.328 58 HD3 PRO 9 1HD PRO 9 21.222 -5.584 1.096 59 H GLY 10 H GLY 10 15.858 -5.463 1.558 60 HA2 GLY 10 2HA GLY 10 14.584 -3.724 -0.367 61 HA3 GLY 10 1HA GLY 10 14.761 -5.385 -0.914 62 H ALA 11 H ALA 11 13.461 -3.413 1.732 63 HA ALA 11 HA ALA 11 10.994 -4.844 1.732 64 HB1 ALA 11 1HB ALA 11 11.122 -5.793 3.971 65 HB2 ALA 11 2HB ALA 11 12.796 -5.256 4.115 66 HB3 ALA 11 3HB ALA 11 12.364 -6.486 2.927 67 H ALA 12 H ALA 12 12.877 -3.308 4.328 68 HA ALA 12 HA ALA 12 12.541 -1.446 5.580 69 HB1 ALA 12 1HB ALA 12 12.679 -0.416 3.291 70 HB2 ALA 12 2HB ALA 12 11.815 0.533 4.501 71 HB3 ALA 12 3HB ALA 12 10.916 -0.375 3.287 72 H GLN 13 H GLN 13 9.454 -1.207 3.862 73 HA GLN 13 HA GLN 13 8.068 -1.969 6.340 74 HB2 GLN 13 2HB GLN 13 6.391 -0.177 5.858 75 HB3 GLN 13 1HB GLN 13 7.982 0.424 6.300 76 HG2 GLN 13 2HG GLN 13 8.459 0.729 3.870 77 HG3 GLN 13 1HG GLN 13 6.778 0.306 3.546 78 HE21 GLN 13 1HE2 GLN 13 8.937 2.681 4.875 79 HE22 GLN 13 2HE2 GLN 13 7.786 3.966 4.983 80 H GLU 14 H GLU 14 5.812 -2.626 6.011 81 HA GLU 14 HA GLU 14 5.128 -3.421 3.284 82 HB2 GLU 14 2HB GLU 14 4.793 -5.724 3.829 83 HB3 GLU 14 1HB GLU 14 6.412 -5.293 4.361 84 HG2 GLU 14 2HG GLU 14 5.503 -4.997 6.660 85 HG3 GLU 14 1HG GLU 14 3.963 -5.624 6.071 86 HA PRO 15 HA PRO 15 1.018 -2.420 4.531 87 HB2 PRO 15 2HB PRO 15 -0.480 -4.151 3.070 88 HB3 PRO 15 1HB PRO 15 0.362 -2.769 2.359 89 HG2 PRO 15 2HG PRO 15 1.160 -5.649 2.420 90 HG3 PRO 15 1HG PRO 15 1.277 -4.479 1.092 91 HD2 PRO 15 2HD PRO 15 3.394 -5.170 2.646 92 HD3 PRO 15 1HD PRO 15 3.223 -3.570 1.896 93 H THR 16 H THR 16 -0.423 -2.903 6.101 94 HA THR 16 HA THR 16 0.064 -5.037 7.867 95 HB THR 16 HB THR 16 -2.499 -3.450 7.675 96 HG1 THR 16 1HG THR 16 -0.624 -2.087 7.808 97 HG21 THR 16 3HG2 THR 16 -1.145 -4.789 10.021 98 HG22 THR 16 1HG2 THR 16 -2.554 -5.415 9.163 99 HG23 THR 16 2HG2 THR 16 -2.669 -3.902 10.060 100 H TRP 17 H TRP 17 -1.210 -6.854 8.404 101 HA TRP 17 HA TRP 17 -2.602 -8.010 6.107 102 HB2 TRP 17 2HB TRP 17 -1.509 -9.238 8.641 103 HB3 TRP 17 1HB TRP 17 -2.441 -10.139 7.451 104 HD1 TRP 17 HD TRP 17 -1.212 -9.543 4.768 105 HE1 TRP 17 1HE TRP 17 1.253 -10.039 4.213 106 HE3 TRP 17 3HE TRP 17 0.681 -9.675 9.516 107 HZ2 TRP 17 2HZ TRP 17 3.676 -10.434 5.603 108 HZ3 TRP 17 3HZ TRP 17 3.082 -10.119 9.817 109 HH2 TRP 17 HH TRP 17 4.547 -10.491 7.899 110 H LEU 18 H LEU 18 -4.581 -6.939 6.263 111 HA LEU 18 HA LEU 18 -6.150 -7.046 8.686 112 HB2 LEU 18 2HB LEU 18 -7.002 -6.255 5.901 113 HB3 LEU 18 1HB LEU 18 -7.830 -5.880 7.400 114 HG LEU 18 HG LEU 18 -5.089 -4.860 6.664 115 HD11 LEU 18 1HD1 LEU 18 -6.686 -3.890 5.172 116 HD12 LEU 18 2HD1 LEU 18 -6.245 -2.687 6.383 117 HD13 LEU 18 3HD1 LEU 18 -7.784 -3.537 6.503 118 HD21 LEU 18 3HD2 LEU 18 -5.389 -5.005 9.053 119 HD22 LEU 18 1HD2 LEU 18 -6.946 -4.187 8.939 120 HD23 LEU 18 2HD2 LEU 18 -5.464 -3.316 8.553 121 H THR 19 H THR 19 -5.933 -9.446 8.771 122 HA THR 19 HA THR 19 -7.237 -11.105 6.873 123 HB THR 19 HB THR 19 -6.993 -12.895 8.512 124 HG1 THR 19 1HG THR 19 -6.809 -10.751 10.241 125 HG21 THR 19 3HG2 THR 19 -4.562 -12.813 8.801 126 HG22 THR 19 1HG2 THR 19 -4.572 -11.091 8.424 127 HG23 THR 19 2HG2 THR 19 -5.030 -12.266 7.191 128 H ASP 20 H ASP 20 -8.553 -8.975 9.088 129 HA ASP 20 HA ASP 20 -11.113 -10.390 8.939 130 HB2 ASP 20 2HB ASP 20 -9.900 -9.257 11.461 131 HB3 ASP 20 1HB ASP 20 -11.594 -9.712 11.312 132 H VAL 21 H VAL 21 -12.944 -9.114 8.923 133 HA VAL 21 HA VAL 21 -12.786 -6.654 7.658 134 HB VAL 21 HB VAL 21 -15.098 -7.577 9.368 135 HG11 VAL 21 1HG1 VAL 21 -14.967 -5.723 6.991 136 HG12 VAL 21 2HG1 VAL 21 -15.261 -5.258 8.667 137 HG13 VAL 21 3HG1 VAL 21 -16.442 -6.244 7.805 138 HG21 VAL 21 3HG2 VAL 21 -15.971 -8.585 7.284 139 HG22 VAL 21 1HG2 VAL 21 -14.489 -9.356 7.851 140 HG23 VAL 21 2HG2 VAL 21 -14.435 -8.227 6.497 141 HA PRO 22 HA PRO 22 -13.710 -4.586 12.022 142 HB2 PRO 22 2HB PRO 22 -12.451 -5.957 14.070 143 HB3 PRO 22 1HB PRO 22 -14.182 -6.032 13.722 144 HG2 PRO 22 2HG PRO 22 -12.004 -7.923 12.929 145 HG3 PRO 22 1HG PRO 22 -13.645 -8.280 13.504 146 HD2 PRO 22 2HD PRO 22 -13.039 -8.446 10.916 147 HD3 PRO 22 1HD PRO 22 -14.605 -7.795 11.439 148 H ALA 23 H ALA 23 -10.740 -6.562 11.822 149 HA ALA 23 HA ALA 23 -9.026 -4.573 12.832 150 HB1 ALA 23 1HB ALA 23 -8.343 -6.867 10.994 151 HB2 ALA 23 2HB ALA 23 -8.405 -6.948 12.755 152 HB3 ALA 23 3HB ALA 23 -7.200 -5.935 11.959 153 H ALA 24 H ALA 24 -10.202 -5.321 9.653 154 HA ALA 24 HA ALA 24 -8.446 -3.693 8.158 155 HB1 ALA 24 1HB ALA 24 -10.206 -3.788 6.404 156 HB2 ALA 24 2HB ALA 24 -11.271 -4.580 7.567 157 HB3 ALA 24 3HB ALA 24 -9.781 -5.374 7.056 158 H MET 25 H MET 25 -11.823 -3.097 9.124 159 HA MET 25 HA MET 25 -11.906 -0.402 8.377 160 HB2 MET 25 2HB MET 25 -13.518 -1.718 10.567 161 HB3 MET 25 1HB MET 25 -13.941 -0.262 9.678 162 HG2 MET 25 2HG MET 25 -14.001 -1.654 7.601 163 HG3 MET 25 1HG MET 25 -13.804 -3.073 8.624 164 HE1 MET 25 3HE MET 25 -17.065 -2.973 10.790 165 HE2 MET 25 1HE MET 25 -15.473 -2.324 11.182 166 HE3 MET 25 2HE MET 25 -15.615 -3.894 10.394 167 H GLU 26 H GLU 26 -10.612 -1.950 11.214 168 HA GLU 26 HA GLU 26 -10.615 0.365 12.877 169 HB2 GLU 26 2HB GLU 26 -9.268 -2.302 12.980 170 HB3 GLU 26 1HB GLU 26 -8.707 -1.017 14.042 171 HG2 GLU 26 2HG GLU 26 -11.096 -0.769 14.803 172 HG3 GLU 26 1HG GLU 26 -11.429 -2.269 13.936 173 H PHE 27 H PHE 27 -8.083 -1.240 10.959 174 HA PHE 27 HA PHE 27 -6.086 0.654 11.465 175 HB2 PHE 27 2HB PHE 27 -6.511 -1.490 9.463 176 HB3 PHE 27 1HB PHE 27 -5.354 -0.235 9.027 177 HD1 PHE 27 1HD PHE 27 -6.117 -2.917 11.419 178 HD2 PHE 27 2HD PHE 27 -3.259 -0.032 10.148 179 HE1 PHE 27 1HE PHE 27 -4.407 -4.006 12.812 180 HE2 PHE 27 2HE PHE 27 -1.542 -1.118 11.537 181 HZ PHE 27 HZ PHE 27 -2.115 -3.106 12.872 182 H ILE 28 H ILE 28 -8.730 0.573 9.189 183 HA ILE 28 HA ILE 28 -7.863 2.826 7.647 184 HB ILE 28 HB ILE 28 -10.497 1.392 7.912 185 HG12 ILE 28 2HG1 ILE 28 -8.760 1.822 5.480 186 HG13 ILE 28 1HG1 ILE 28 -8.535 0.462 6.580 187 HG21 ILE 28 1HG2 ILE 28 -9.931 3.871 6.294 188 HG22 ILE 28 2HG2 ILE 28 -11.095 3.701 7.606 189 HG23 ILE 28 3HG2 ILE 28 -11.348 2.844 6.087 190 HD11 ILE 28 3HD1 ILE 28 -10.625 -0.461 6.018 191 HD12 ILE 28 1HD1 ILE 28 -9.881 0.027 4.494 192 HD13 ILE 28 2HD1 ILE 28 -11.147 1.022 5.214 193 H ALA 29 H ALA 29 -9.896 2.320 10.461 194 HA ALA 29 HA ALA 29 -10.855 5.009 10.594 195 HB1 ALA 29 1HB ALA 29 -10.849 2.815 12.670 196 HB2 ALA 29 2HB ALA 29 -12.162 3.211 11.559 197 HB3 ALA 29 3HB ALA 29 -11.699 4.354 12.818 198 H ALA 30 H ALA 30 -8.000 3.386 11.567 199 HA ALA 30 HA ALA 30 -7.269 5.435 13.515 200 HB1 ALA 30 1HB ALA 30 -5.773 2.971 12.637 201 HB2 ALA 30 2HB ALA 30 -6.816 3.091 14.055 202 HB3 ALA 30 3HB ALA 30 -5.328 4.036 13.970 203 H THR 31 H THR 31 -7.559 6.110 10.695 204 HA THR 31 HA THR 31 -5.165 7.614 10.360 205 HB THR 31 HB THR 31 -4.309 5.449 9.588 206 HG1 THR 31 1HG THR 31 -3.696 7.477 8.529 207 HG21 THR 31 3HG2 THR 31 -6.732 4.850 8.738 208 HG22 THR 31 1HG2 THR 31 -5.302 4.149 7.985 209 HG23 THR 31 2HG2 THR 31 -6.116 5.516 7.226 210 H GLU 32 H GLU 32 -5.304 9.132 8.667 211 HA GLU 32 HA GLU 32 -7.964 9.928 7.970 212 HB2 GLU 32 2HB GLU 32 -5.947 11.430 8.416 213 HB3 GLU 32 1HB GLU 32 -5.403 11.011 6.796 214 HG2 GLU 32 2HG GLU 32 -7.393 11.966 5.837 215 HG3 GLU 32 1HG GLU 32 -8.047 12.284 7.443 216 H VAL 33 H VAL 33 -5.247 8.499 6.217 217 HA VAL 33 HA VAL 33 -7.097 7.838 4.026 218 HB VAL 33 HB VAL 33 -4.196 8.554 3.606 219 HG11 VAL 33 1HG1 VAL 33 -6.477 8.146 1.670 220 HG12 VAL 33 2HG1 VAL 33 -5.110 7.054 1.926 221 HG13 VAL 33 3HG1 VAL 33 -4.841 8.657 1.237 222 HG21 VAL 33 3HG2 VAL 33 -6.663 10.239 3.204 223 HG22 VAL 33 1HG2 VAL 33 -5.054 10.652 2.609 224 HG23 VAL 33 2HG2 VAL 33 -5.348 10.537 4.344 225 H ALA 34 H ALA 34 -7.097 5.734 3.462 226 HA ALA 34 HA ALA 34 -4.845 4.056 4.317 227 HB1 ALA 34 1HB ALA 34 -6.487 2.312 5.032 228 HB2 ALA 34 2HB ALA 34 -7.755 3.529 4.873 229 HB3 ALA 34 3HB ALA 34 -6.456 3.755 6.044 230 H VAL 35 H VAL 35 -4.144 2.734 2.812 231 HA VAL 35 HA VAL 35 -5.936 2.078 0.570 232 HB VAL 35 HB VAL 35 -2.964 2.571 0.587 233 HG11 VAL 35 1HG1 VAL 35 -4.626 1.296 -1.591 234 HG12 VAL 35 2HG1 VAL 35 -3.307 0.540 -0.697 235 HG13 VAL 35 3HG1 VAL 35 -2.975 1.883 -1.792 236 HG21 VAL 35 3HG2 VAL 35 -3.605 4.155 -1.207 237 HG22 VAL 35 1HG2 VAL 35 -4.365 4.517 0.346 238 HG23 VAL 35 2HG2 VAL 35 -5.296 3.725 -0.928 239 H ILE 36 H ILE 36 -6.342 0.002 0.226 240 HA ILE 36 HA ILE 36 -4.614 -1.984 1.531 241 HB ILE 36 HB ILE 36 -7.620 -1.879 1.719 242 HG12 ILE 36 2HG1 ILE 36 -5.724 -1.941 4.033 243 HG13 ILE 36 1HG1 ILE 36 -5.989 -0.424 3.184 244 HG21 ILE 36 1HG2 ILE 36 -7.015 -4.171 1.501 245 HG22 ILE 36 2HG2 ILE 36 -7.305 -3.875 3.216 246 HG23 ILE 36 3HG2 ILE 36 -5.652 -3.985 2.605 247 HD11 ILE 36 3HD1 ILE 36 -8.400 -0.658 3.623 248 HD12 ILE 36 1HD1 ILE 36 -7.421 -0.537 5.084 249 HD13 ILE 36 2HD1 ILE 36 -8.050 -2.104 4.571 250 H GLY 37 H GLY 37 -4.258 -3.819 0.467 251 HA2 GLY 37 2HA GLY 37 -5.437 -4.054 -2.201 252 HA3 GLY 37 1HA GLY 37 -3.954 -4.817 -1.669 253 H PHE 38 H PHE 38 -7.392 -5.078 -1.886 254 HA PHE 38 HA PHE 38 -7.563 -7.493 -0.290 255 HB2 PHE 38 2HB PHE 38 -9.634 -6.296 -2.148 256 HB3 PHE 38 1HB PHE 38 -9.910 -7.501 -0.895 257 HD1 PHE 38 2HD PHE 38 -8.639 -4.028 -1.320 258 HD2 PHE 38 1HD PHE 38 -10.655 -6.822 1.176 259 HE1 PHE 38 2HE PHE 38 -9.114 -2.240 0.294 260 HE2 PHE 38 1HE PHE 38 -11.138 -5.032 2.792 261 HZ PHE 38 HZ PHE 38 -10.365 -2.738 2.351 262 H PHE 39 H PHE 39 -6.150 -8.913 -1.307 263 HA PHE 39 HA PHE 39 -6.800 -9.628 -4.084 264 HB2 PHE 39 2HB PHE 39 -4.276 -10.292 -2.573 265 HB3 PHE 39 1HB PHE 39 -4.560 -10.448 -4.305 266 HD1 PHE 39 2HD PHE 39 -5.777 -7.907 -5.011 267 HD2 PHE 39 1HD PHE 39 -2.597 -8.735 -2.309 268 HE1 PHE 39 2HE PHE 39 -4.897 -5.640 -5.359 269 HE2 PHE 39 1HE PHE 39 -1.714 -6.465 -2.650 270 HZ PHE 39 HZ PHE 39 -2.862 -4.915 -4.179 271 H GLN 40 H GLN 40 -7.296 -11.662 -4.664 272 HA GLN 40 HA GLN 40 -7.920 -13.554 -2.547 273 HB2 GLN 40 2HB GLN 40 -8.373 -13.712 -5.539 274 HB3 GLN 40 1HB GLN 40 -8.972 -14.870 -4.357 275 HG2 GLN 40 2HG GLN 40 -10.363 -13.163 -3.348 276 HG3 GLN 40 1HG GLN 40 -9.725 -11.958 -4.467 277 HE21 GLN 40 1HE2 GLN 40 -12.470 -12.868 -4.033 278 HE22 GLN 40 2HE2 GLN 40 -13.035 -13.429 -5.568 279 H ASP 41 H ASP 41 -5.313 -12.707 -4.263 280 HA ASP 41 HA ASP 41 -3.892 -15.161 -3.736 281 HB2 ASP 41 2HB ASP 41 -4.874 -15.539 -6.005 282 HB3 ASP 41 1HB ASP 41 -4.044 -14.088 -6.572 283 H LEU 42 H LEU 42 -1.952 -14.551 -2.937 284 HA LEU 42 HA LEU 42 -1.088 -11.810 -3.426 285 HB2 LEU 42 2HB LEU 42 -0.078 -13.855 -1.452 286 HB3 LEU 42 1HB LEU 42 0.520 -12.210 -1.590 287 HG LEU 42 HG LEU 42 -2.289 -12.998 -0.823 288 HD11 LEU 42 1HD1 LEU 42 -0.047 -11.828 0.818 289 HD12 LEU 42 2HD1 LEU 42 -0.644 -13.485 0.915 290 HD13 LEU 42 3HD1 LEU 42 -1.689 -12.143 1.378 291 HD21 LEU 42 3HD2 LEU 42 -2.538 -10.588 -0.306 292 HD22 LEU 42 1HD2 LEU 42 -2.309 -10.905 -2.024 293 HD23 LEU 42 2HD2 LEU 42 -0.969 -10.295 -1.054 294 H GLU 43 H GLU 43 -0.816 -13.273 -5.656 295 HA GLU 43 HA GLU 43 2.099 -13.395 -5.945 296 HB2 GLU 43 2HB GLU 43 0.206 -15.416 -7.159 297 HB3 GLU 43 1HB GLU 43 1.949 -15.373 -7.360 298 HG2 GLU 43 2HG GLU 43 2.249 -15.832 -5.001 299 HG3 GLU 43 1HG GLU 43 0.501 -15.832 -4.769 300 H ILE 44 H ILE 44 -0.550 -11.843 -6.702 301 HA ILE 44 HA ILE 44 -0.208 -11.621 -9.584 302 HB ILE 44 HB ILE 44 -2.039 -9.818 -9.241 303 HG12 ILE 44 2HG1 ILE 44 -2.750 -11.348 -6.797 304 HG13 ILE 44 1HG1 ILE 44 -1.517 -10.105 -6.644 305 HG21 ILE 44 1HG2 ILE 44 -3.741 -11.461 -9.461 306 HG22 ILE 44 2HG2 ILE 44 -2.782 -12.668 -8.603 307 HG23 ILE 44 3HG2 ILE 44 -2.290 -12.127 -10.213 308 HD11 ILE 44 3HD1 ILE 44 -4.383 -9.815 -7.428 309 HD12 ILE 44 1HD1 ILE 44 -3.194 -8.558 -7.767 310 HD13 ILE 44 2HD1 ILE 44 -3.509 -9.044 -6.103 311 HA PRO 45 HA PRO 45 2.386 -8.060 -9.853 312 HB2 PRO 45 2HB PRO 45 0.146 -6.765 -11.346 313 HB3 PRO 45 1HB PRO 45 1.850 -6.907 -11.784 314 HG2 PRO 45 2HG PRO 45 0.049 -8.465 -12.945 315 HG3 PRO 45 1HG PRO 45 1.622 -9.127 -12.460 316 HD2 PRO 45 2HD PRO 45 -1.052 -9.444 -11.165 317 HD3 PRO 45 1HD PRO 45 0.275 -10.615 -11.319 318 H ALA 46 H ALA 46 -0.929 -7.632 -8.823 319 HA ALA 46 HA ALA 46 -0.766 -4.945 -7.989 320 HB1 ALA 46 1HB ALA 46 -2.854 -5.283 -6.957 321 HB2 ALA 46 2HB ALA 46 -2.565 -7.013 -6.769 322 HB3 ALA 46 3HB ALA 46 -2.845 -6.335 -8.373 323 H VAL 47 H VAL 47 0.017 -7.960 -6.325 324 HA VAL 47 HA VAL 47 0.148 -6.867 -3.733 325 HB VAL 47 HB VAL 47 1.883 -9.176 -4.530 326 HG11 VAL 47 1HG1 VAL 47 1.234 -9.984 -2.298 327 HG12 VAL 47 2HG1 VAL 47 0.270 -8.525 -2.065 328 HG13 VAL 47 3HG1 VAL 47 2.021 -8.407 -2.236 329 HG21 VAL 47 3HG2 VAL 47 -0.318 -9.474 -5.627 330 HG22 VAL 47 1HG2 VAL 47 -1.090 -9.332 -4.050 331 HG23 VAL 47 2HG2 VAL 47 0.001 -10.677 -4.379 332 HA PRO 48 HA PRO 48 4.966 -6.425 -4.453 333 HB2 PRO 48 2HB PRO 48 5.050 -6.181 -7.407 334 HB3 PRO 48 1HB PRO 48 6.159 -7.024 -6.318 335 HG2 PRO 48 2HG PRO 48 4.464 -8.380 -7.866 336 HG3 PRO 48 1HG PRO 48 4.823 -8.917 -6.213 337 HD2 PRO 48 2HD PRO 48 2.424 -7.466 -7.255 338 HD3 PRO 48 1HD PRO 48 2.515 -8.786 -6.078 339 H ILE 49 H ILE 49 2.753 -5.043 -6.821 340 HA ILE 49 HA ILE 49 3.960 -2.501 -6.994 341 HB ILE 49 HB ILE 49 1.321 -3.638 -7.764 342 HG12 ILE 49 2HG1 ILE 49 3.077 -1.944 -9.478 343 HG13 ILE 49 1HG1 ILE 49 3.611 -3.568 -9.060 344 HG21 ILE 49 1HG2 ILE 49 1.891 -0.726 -7.453 345 HG22 ILE 49 2HG2 ILE 49 0.450 -1.637 -7.007 346 HG23 ILE 49 3HG2 ILE 49 0.791 -1.303 -8.705 347 HD11 ILE 49 3HD1 ILE 49 0.899 -3.088 -10.219 348 HD12 ILE 49 1HD1 ILE 49 1.858 -4.568 -10.198 349 HD13 ILE 49 2HD1 ILE 49 2.330 -3.228 -11.243 350 H LEU 50 H LEU 50 1.501 -3.844 -4.858 351 HA LEU 50 HA LEU 50 0.840 -1.345 -3.645 352 HB2 LEU 50 2HB LEU 50 -0.755 -3.152 -3.555 353 HB3 LEU 50 1HB LEU 50 0.398 -4.185 -2.741 354 HG LEU 50 HG LEU 50 0.346 -2.584 -0.804 355 HD11 LEU 50 1HD1 LEU 50 -2.088 -1.475 -2.183 356 HD12 LEU 50 2HD1 LEU 50 -0.523 -0.665 -2.133 357 HD13 LEU 50 3HD1 LEU 50 -1.405 -0.970 -0.637 358 HD21 LEU 50 3HD2 LEU 50 -2.388 -3.682 -1.407 359 HD22 LEU 50 1HD2 LEU 50 -1.569 -3.538 0.152 360 HD23 LEU 50 2HD2 LEU 50 -1.016 -4.726 -1.029 361 H HIS 51 H HIS 51 2.812 -4.129 -2.614 362 HA HIS 51 HA HIS 51 3.780 -3.087 -0.232 363 HB2 HIS 51 2HB HIS 51 5.011 -4.966 -2.245 364 HB3 HIS 51 1HB HIS 51 5.861 -4.508 -0.773 365 HD1 HIS 51 1HD HIS 51 2.341 -5.782 -1.523 366 HD2 HIS 51 2HD HIS 51 5.498 -6.391 1.107 367 HE1 HIS 51 1HE HIS 51 1.583 -7.614 0.023 368 HE2 HIS 51 2HE HIS 51 3.533 -8.012 1.563 369 H SER 52 H SER 52 4.485 -2.260 -3.504 370 HA SER 52 HA SER 52 6.928 -0.835 -2.905 371 HB2 SER 52 2HB SER 52 6.652 -1.904 -5.097 372 HB3 SER 52 1HB SER 52 5.246 -0.889 -5.425 373 HG SER 52 HG SER 52 7.591 -0.296 -6.133 374 H MET 53 H MET 53 3.579 0.019 -3.788 375 HA MET 53 HA MET 53 3.921 2.798 -3.758 376 HB2 MET 53 2HB MET 53 1.604 2.980 -3.846 377 HB3 MET 53 1HB MET 53 1.881 1.385 -4.527 378 HG2 MET 53 2HG MET 53 0.100 1.052 -3.104 379 HG3 MET 53 1HG MET 53 1.479 0.527 -2.146 380 HE1 MET 53 3HE MET 53 -0.269 1.978 0.868 381 HE2 MET 53 1HE MET 53 0.652 0.658 0.151 382 HE3 MET 53 2HE MET 53 -0.999 0.972 -0.383 383 H VAL 54 H VAL 54 3.684 0.462 -1.251 384 HA VAL 54 HA VAL 54 2.837 1.913 0.935 385 HB VAL 54 HB VAL 54 4.921 -0.251 0.756 386 HG11 VAL 54 1HG1 VAL 54 3.625 0.883 3.223 387 HG12 VAL 54 2HG1 VAL 54 5.321 1.050 2.769 388 HG13 VAL 54 3HG1 VAL 54 4.664 -0.539 3.167 389 HG21 VAL 54 3HG2 VAL 54 2.969 -1.504 1.903 390 HG22 VAL 54 1HG2 VAL 54 2.900 -1.212 0.166 391 HG23 VAL 54 2HG2 VAL 54 1.977 -0.192 1.267 392 H GLN 55 H GLN 55 6.160 1.577 -0.294 393 HA GLN 55 HA GLN 55 7.219 3.428 1.617 394 HB2 GLN 55 2HB GLN 55 8.577 2.558 -0.912 395 HB3 GLN 55 1HB GLN 55 9.300 3.043 0.617 396 HG2 GLN 55 2HG GLN 55 8.391 1.003 1.658 397 HG3 GLN 55 1HG GLN 55 7.764 0.512 0.085 398 HE21 GLN 55 1HE2 GLN 55 10.106 1.585 -1.325 399 HE22 GLN 55 2HE2 GLN 55 11.383 0.459 -1.037 400 H LYS 56 H LYS 56 5.467 3.775 -1.205 401 HA LYS 56 HA LYS 56 6.705 6.301 -1.986 402 HB2 LYS 56 2HB LYS 56 4.377 4.805 -3.204 403 HB3 LYS 56 1HB LYS 56 5.130 6.245 -3.870 404 HG2 LYS 56 2HG LYS 56 7.201 5.036 -4.217 405 HG3 LYS 56 1HG LYS 56 6.503 3.593 -3.477 406 HD2 LYS 56 2HD LYS 56 6.353 3.274 -5.819 407 HD3 LYS 56 1HD LYS 56 4.726 3.693 -5.277 408 HE2 LYS 56 2HE LYS 56 5.096 4.963 -7.229 409 HE3 LYS 56 1HE LYS 56 5.289 6.084 -5.881 410 HZ1 LYS 56 3HZ LYS 56 7.498 4.762 -7.360 411 HZ2 LYS 56 1HZ LYS 56 7.686 5.829 -6.061 412 HZ3 LYS 56 2HZ LYS 56 7.031 6.379 -7.519 413 H PHE 57 H PHE 57 4.136 5.058 -0.126 414 HA PHE 57 HA PHE 57 3.107 7.771 0.301 415 HB2 PHE 57 2HB PHE 57 1.533 5.303 -0.359 416 HB3 PHE 57 1HB PHE 57 0.804 6.638 0.530 417 HD1 PHE 57 1HD PHE 57 0.491 8.815 -0.532 418 HD2 PHE 57 2HD PHE 57 2.027 5.486 -2.690 419 HE1 PHE 57 1HE PHE 57 0.027 9.979 -2.649 420 HE2 PHE 57 2HE PHE 57 1.567 6.643 -4.810 421 HZ PHE 57 HZ PHE 57 0.566 8.892 -4.792 422 HA PRO 58 HA PRO 58 4.312 5.410 4.257 423 HB2 PRO 58 2HB PRO 58 5.327 7.777 5.336 424 HB3 PRO 58 1HB PRO 58 6.285 6.488 4.603 425 HG2 PRO 58 2HG PRO 58 5.301 9.042 3.398 426 HG3 PRO 58 1HG PRO 58 6.868 8.233 3.190 427 HD2 PRO 58 2HD PRO 58 5.020 8.070 1.288 428 HD3 PRO 58 1HD PRO 58 5.983 6.643 1.721 429 H GLY 59 H GLY 59 3.005 8.665 3.692 430 HA2 GLY 59 2HA GLY 59 1.670 8.973 6.140 431 HA3 GLY 59 1HA GLY 59 1.234 9.778 4.637 432 H VAL 60 H VAL 60 0.624 7.552 3.088 433 HA VAL 60 HA VAL 60 -2.054 7.042 3.832 434 HB VAL 60 HB VAL 60 -0.227 5.947 1.710 435 HG11 VAL 60 1HG1 VAL 60 -2.111 4.662 0.788 436 HG12 VAL 60 2HG1 VAL 60 -3.061 5.036 2.226 437 HG13 VAL 60 3HG1 VAL 60 -1.605 4.049 2.363 438 HG21 VAL 60 3HG2 VAL 60 -2.739 7.612 1.704 439 HG22 VAL 60 1HG2 VAL 60 -1.955 7.000 0.247 440 HG23 VAL 60 2HG2 VAL 60 -1.102 8.129 1.299 441 H SER 61 H SER 61 -3.034 5.117 4.582 442 HA SER 61 HA SER 61 -1.306 3.533 6.283 443 HB2 SER 61 2HB SER 61 -3.475 4.318 7.139 444 HB3 SER 61 1HB SER 61 -4.301 3.387 5.892 445 HG SER 61 HG SER 61 -2.523 1.914 7.360 446 H PHE 62 H PHE 62 -0.118 2.181 5.052 447 HA PHE 62 HA PHE 62 -1.074 0.731 2.832 448 HB2 PHE 62 2HB PHE 62 1.019 -0.739 3.421 449 HB3 PHE 62 1HB PHE 62 1.227 0.906 2.828 450 HD1 PHE 62 1HD PHE 62 1.438 -1.270 5.774 451 HD2 PHE 62 2HD PHE 62 2.065 2.651 4.246 452 HE1 PHE 62 1HE PHE 62 2.750 -0.705 7.775 453 HE2 PHE 62 2HE PHE 62 3.380 3.224 6.244 454 HZ PHE 62 HZ PHE 62 3.725 1.546 8.012 455 H GLY 63 H GLY 63 -2.359 -0.954 2.748 456 HA2 GLY 63 2HA GLY 63 -2.336 -2.902 4.940 457 HA3 GLY 63 1HA GLY 63 -3.868 -2.172 4.478 458 H ILE 64 H ILE 64 -3.481 -4.904 4.391 459 HA ILE 64 HA ILE 64 -4.129 -5.438 1.655 460 HB ILE 64 HB ILE 64 -1.508 -5.490 1.970 461 HG12 ILE 64 2HG1 ILE 64 -3.020 -7.632 0.472 462 HG13 ILE 64 1HG1 ILE 64 -2.709 -6.000 -0.104 463 HG21 ILE 64 1HG2 ILE 64 -1.469 -7.043 3.832 464 HG22 ILE 64 2HG2 ILE 64 -0.669 -7.748 2.429 465 HG23 ILE 64 3HG2 ILE 64 -2.300 -8.256 2.861 466 HD11 ILE 64 3HD1 ILE 64 -1.176 -7.529 -1.140 467 HD12 ILE 64 1HD1 ILE 64 -0.660 -8.138 0.432 468 HD13 ILE 64 2HD1 ILE 64 -0.291 -6.477 -0.035 469 H SER 65 H SER 65 -5.280 -7.345 1.430 470 HA SER 65 HA SER 65 -5.445 -9.146 3.714 471 HB2 SER 65 2HB SER 65 -7.131 -7.484 4.260 472 HB3 SER 65 1HB SER 65 -7.842 -7.637 2.653 473 HG SER 65 HG SER 65 -9.001 -9.170 3.472 474 H THR 66 H THR 66 -6.597 -11.109 3.285 475 HA THR 66 HA THR 66 -7.145 -11.699 0.472 476 HB THR 66 HB THR 66 -5.906 -13.832 0.616 477 HG1 THR 66 1HG THR 66 -4.216 -13.505 2.523 478 HG21 THR 66 3HG2 THR 66 -4.120 -11.485 1.227 479 HG22 THR 66 1HG2 THR 66 -4.879 -11.769 -0.339 480 HG23 THR 66 2HG2 THR 66 -3.713 -12.929 0.300 481 H ASP 67 H ASP 67 -8.240 -11.639 3.498 482 HA ASP 67 HA ASP 67 -9.429 -14.228 3.765 483 HB2 ASP 67 2HB ASP 67 -8.898 -12.718 5.692 484 HB3 ASP 67 1HB ASP 67 -10.205 -11.663 5.167 485 H SER 68 H SER 68 -11.508 -14.864 3.351 486 HA SER 68 HA SER 68 -12.816 -13.675 1.160 487 HB2 SER 68 2HB SER 68 -13.003 -16.062 1.619 488 HB3 SER 68 1HB SER 68 -13.831 -15.728 3.140 489 HG SER 68 HG SER 68 -14.764 -15.107 0.530 490 H GLU 69 H GLU 69 -13.677 -13.760 4.617 491 HA GLU 69 HA GLU 69 -16.092 -12.443 4.528 492 HB2 GLU 69 2HB GLU 69 -13.985 -12.091 6.656 493 HB3 GLU 69 1HB GLU 69 -15.709 -11.789 6.828 494 HG2 GLU 69 2HG GLU 69 -16.176 -14.150 6.491 495 HG3 GLU 69 1HG GLU 69 -14.455 -14.466 6.269 496 H VAL 70 H VAL 70 -12.858 -10.991 4.689 497 HA VAL 70 HA VAL 70 -13.838 -8.327 4.755 498 HB VAL 70 HB VAL 70 -11.113 -9.406 4.026 499 HG11 VAL 70 1HG1 VAL 70 -12.025 -6.557 4.360 500 HG12 VAL 70 2HG1 VAL 70 -11.337 -7.300 2.915 501 HG13 VAL 70 3HG1 VAL 70 -10.336 -7.059 4.347 502 HG21 VAL 70 3HG2 VAL 70 -11.663 -9.777 6.340 503 HG22 VAL 70 1HG2 VAL 70 -12.187 -8.102 6.519 504 HG23 VAL 70 2HG2 VAL 70 -10.486 -8.466 6.235 505 H LEU 71 H LEU 71 -12.343 -10.252 2.156 506 HA LEU 71 HA LEU 71 -12.658 -8.374 0.114 507 HB2 LEU 71 2HB LEU 71 -12.307 -11.332 0.208 508 HB3 LEU 71 1HB LEU 71 -12.784 -10.603 -1.314 509 HG LEU 71 HG LEU 71 -10.784 -9.306 -1.425 510 HD11 LEU 71 1HD1 LEU 71 -9.074 -9.378 0.340 511 HD12 LEU 71 2HD1 LEU 71 -10.181 -10.305 1.353 512 HD13 LEU 71 3HD1 LEU 71 -10.584 -8.651 0.892 513 HD21 LEU 71 3HD2 LEU 71 -10.534 -11.585 -2.170 514 HD22 LEU 71 1HD2 LEU 71 -10.180 -12.119 -0.527 515 HD23 LEU 71 2HD2 LEU 71 -9.050 -11.061 -1.376 516 H THR 72 H THR 72 -14.970 -10.183 1.798 517 HA THR 72 HA THR 72 -16.972 -10.049 -0.314 518 HB THR 72 HB THR 72 -17.146 -11.096 2.523 519 HG1 THR 72 1HG THR 72 -16.632 -12.241 0.007 520 HG21 THR 72 3HG2 THR 72 -19.302 -12.122 1.633 521 HG22 THR 72 1HG2 THR 72 -19.175 -10.980 0.294 522 HG23 THR 72 2HG2 THR 72 -19.333 -10.386 1.948 523 H HIS 73 H HIS 73 -16.277 -8.665 2.858 524 HA HIS 73 HA HIS 73 -18.624 -7.156 3.149 525 HB2 HIS 73 2HB HIS 73 -16.984 -7.621 4.968 526 HB3 HIS 73 1HB HIS 73 -15.869 -6.489 4.210 527 HD1 HIS 73 1HD HIS 73 -16.155 -4.058 4.769 528 HD2 HIS 73 2HD HIS 73 -19.380 -6.369 6.000 529 HE1 HIS 73 1HE HIS 73 -17.590 -2.526 6.151 530 HE2 HIS 73 2HE HIS 73 -19.477 -3.976 6.977 531 H TYR 74 H TYR 74 -15.581 -6.497 1.510 532 HA TYR 74 HA TYR 74 -16.499 -3.822 0.780 533 HB2 TYR 74 2HB TYR 74 -13.865 -5.252 0.503 534 HB3 TYR 74 1HB TYR 74 -14.188 -3.748 -0.353 535 HD1 TYR 74 1HD TYR 74 -13.952 -5.261 3.023 536 HD2 TYR 74 2HD TYR 74 -14.036 -1.667 0.749 537 HE1 TYR 74 1HE TYR 74 -13.298 -3.988 5.023 538 HE2 TYR 74 2HE TYR 74 -13.381 -0.383 2.740 539 HH TYR 74 HH TYR 74 -13.461 -0.593 5.175 540 H ASN 75 H ASN 75 -17.285 -6.675 -0.280 541 HA ASN 75 HA ASN 75 -18.118 -7.518 -2.216 542 HB2 ASN 75 2HB ASN 75 -19.144 -5.185 -2.184 543 HB3 ASN 75 1HB ASN 75 -17.916 -4.744 -3.365 544 HD21 ASN 75 1HD2 ASN 75 -19.437 -4.326 -4.953 545 HD22 ASN 75 2HD2 ASN 75 -20.301 -5.587 -5.758 546 H ILE 76 H ILE 76 -15.131 -7.060 -1.824 547 HA ILE 76 HA ILE 76 -13.850 -6.527 -4.240 548 HB ILE 76 HB ILE 76 -12.953 -8.538 -2.178 549 HG12 ILE 76 2HG1 ILE 76 -13.520 -6.408 -1.108 550 HG13 ILE 76 1HG1 ILE 76 -11.784 -6.670 -1.098 551 HG21 ILE 76 1HG2 ILE 76 -11.356 -6.866 -4.102 552 HG22 ILE 76 2HG2 ILE 76 -11.713 -8.579 -4.293 553 HG23 ILE 76 3HG2 ILE 76 -10.715 -8.031 -2.946 554 HD11 ILE 76 3HD1 ILE 76 -12.352 -4.355 -1.607 555 HD12 ILE 76 1HD1 ILE 76 -13.269 -4.888 -3.015 556 HD13 ILE 76 2HD1 ILE 76 -11.523 -5.126 -2.958 557 H THR 77 H THR 77 -13.849 -7.544 -6.133 558 HA THR 77 HA THR 77 -14.142 -10.450 -6.229 559 HB THR 77 HB THR 77 -15.788 -10.283 -8.091 560 HG1 THR 77 1HG THR 77 -16.678 -7.793 -7.398 561 HG21 THR 77 3HG2 THR 77 -16.692 -9.074 -5.477 562 HG22 THR 77 1HG2 THR 77 -16.537 -10.796 -5.823 563 HG23 THR 77 2HG2 THR 77 -17.736 -9.829 -6.681 564 H GLY 78 H GLY 78 -11.763 -9.595 -6.624 565 HA2 GLY 78 2HA GLY 78 -10.756 -10.427 -8.930 566 HA3 GLY 78 1HA GLY 78 -11.334 -8.840 -9.413 567 H ASN 79 H ASN 79 -9.767 -9.923 -6.410 568 HA ASN 79 HA ASN 79 -7.990 -9.070 -5.262 569 HB2 ASN 79 2HB ASN 79 -6.875 -8.815 -8.063 570 HB3 ASN 79 1HB ASN 79 -5.929 -8.800 -6.579 571 HD21 ASN 79 1HD2 ASN 79 -7.813 -10.738 -8.759 572 HD22 ASN 79 2HD2 ASN 79 -7.288 -12.275 -8.169 573 H THR 80 H THR 80 -9.972 -7.238 -5.630 574 HA THR 80 HA THR 80 -9.134 -4.788 -6.785 575 HB THR 80 HB THR 80 -11.276 -5.356 -4.724 576 HG1 THR 80 1HG THR 80 -12.058 -6.283 -6.482 577 HG21 THR 80 3HG2 THR 80 -10.844 -2.903 -6.426 578 HG22 THR 80 1HG2 THR 80 -10.663 -2.999 -4.677 579 HG23 THR 80 2HG2 THR 80 -12.251 -3.208 -5.411 580 H ILE 81 H ILE 81 -8.535 -2.861 -5.802 581 HA ILE 81 HA ILE 81 -7.387 -3.056 -3.090 582 HB ILE 81 HB ILE 81 -6.454 -1.416 -5.456 583 HG12 ILE 81 2HG1 ILE 81 -5.134 -3.638 -3.888 584 HG13 ILE 81 1HG1 ILE 81 -5.744 -3.750 -5.533 585 HG21 ILE 81 1HG2 ILE 81 -6.311 -0.113 -3.391 586 HG22 ILE 81 2HG2 ILE 81 -4.714 -0.530 -4.006 587 HG23 ILE 81 3HG2 ILE 81 -5.387 -1.411 -2.635 588 HD11 ILE 81 3HD1 ILE 81 -4.087 -2.017 -6.185 589 HD12 ILE 81 1HD1 ILE 81 -3.381 -3.533 -5.620 590 HD13 ILE 81 2HD1 ILE 81 -3.416 -2.127 -4.557 591 H CYS 82 H CYS 82 -8.480 -1.838 -1.648 592 HA CYS 82 HA CYS 82 -10.062 0.384 -2.733 593 HB2 CYS 82 2HB CYS 82 -10.468 -1.185 -0.196 594 HB3 CYS 82 1HB CYS 82 -11.465 0.169 -0.714 595 HG CYS 82 HG CYS 82 -12.887 -2.177 -1.189 596 H LEU 83 H LEU 83 -9.719 2.395 -2.155 597 HA LEU 83 HA LEU 83 -7.825 2.955 0.015 598 HB2 LEU 83 2HB LEU 83 -6.916 3.938 -1.862 599 HB3 LEU 83 1HB LEU 83 -8.475 4.284 -2.571 600 HG LEU 83 HG LEU 83 -8.788 6.194 -1.138 601 HD11 LEU 83 1HD1 LEU 83 -7.598 5.145 0.846 602 HD12 LEU 83 2HD1 LEU 83 -7.347 6.871 0.586 603 HD13 LEU 83 3HD1 LEU 83 -6.098 5.716 0.110 604 HD21 LEU 83 3HD2 LEU 83 -6.024 6.140 -2.334 605 HD22 LEU 83 1HD2 LEU 83 -6.898 7.594 -1.858 606 HD23 LEU 83 2HD2 LEU 83 -7.520 6.577 -3.158 607 H PHE 84 H PHE 84 -9.012 3.229 1.834 608 HA PHE 84 HA PHE 84 -11.493 4.763 1.683 609 HB2 PHE 84 2HB PHE 84 -11.205 2.489 2.919 610 HB3 PHE 84 1HB PHE 84 -10.461 3.464 4.182 611 HD1 PHE 84 2HD PHE 84 -11.852 5.485 5.031 612 HD2 PHE 84 1HD PHE 84 -13.492 2.194 2.889 613 HE1 PHE 84 2HE PHE 84 -14.080 6.022 5.919 614 HE2 PHE 84 1HE PHE 84 -15.724 2.727 3.774 615 HZ PHE 84 HZ PHE 84 -16.020 4.644 5.291 616 H ARG 85 H ARG 85 -11.469 6.857 2.102 617 HA ARG 85 HA ARG 85 -9.240 7.976 3.661 618 HB2 ARG 85 2HB ARG 85 -11.133 9.822 2.342 619 HB3 ARG 85 1HB ARG 85 -9.377 9.858 2.402 620 HG2 ARG 85 2HG ARG 85 -9.264 8.146 0.679 621 HG3 ARG 85 1HG ARG 85 -11.033 8.083 0.623 622 HD2 ARG 85 2HD ARG 85 -9.228 10.358 -0.172 623 HD3 ARG 85 1HD ARG 85 -10.348 9.449 -1.190 624 HE ARG 85 HE ARG 85 -11.758 10.720 0.899 625 HH11 ARG 85 1HH1 ARG 85 -10.096 11.418 -2.087 626 HH12 ARG 85 2HH1 ARG 85 -11.022 12.845 -2.417 627 HH21 ARG 85 1HH2 ARG 85 -12.980 12.598 0.469 628 HH22 ARG 85 2HH2 ARG 85 -12.662 13.513 -0.967 629 H LEU 86 H LEU 86 -9.818 7.767 5.736 630 HA LEU 86 HA LEU 86 -12.220 7.743 6.984 631 HB2 LEU 86 2HB LEU 86 -10.457 7.288 8.369 632 HB3 LEU 86 1HB LEU 86 -9.504 8.635 7.784 633 HG LEU 86 HG LEU 86 -11.050 10.161 9.057 634 HD11 LEU 86 1HD1 LEU 86 -11.968 7.558 10.278 635 HD12 LEU 86 2HD1 LEU 86 -12.942 8.635 9.275 636 HD13 LEU 86 3HD1 LEU 86 -12.376 9.174 10.857 637 HD21 LEU 86 3HD2 LEU 86 -8.865 9.646 9.905 638 HD22 LEU 86 1HD2 LEU 86 -9.438 8.113 10.566 639 HD23 LEU 86 2HD2 LEU 86 -10.015 9.636 11.243 640 H VAL 87 H VAL 87 -10.327 10.722 6.445 641 HA VAL 87 HA VAL 87 -11.832 12.606 7.649 642 HB VAL 87 HB VAL 87 -11.387 13.903 5.295 643 HG11 VAL 87 1HG1 VAL 87 -9.481 13.346 7.560 644 HG12 VAL 87 2HG1 VAL 87 -10.619 14.686 7.422 645 HG13 VAL 87 3HG1 VAL 87 -9.231 14.592 6.337 646 HG21 VAL 87 3HG2 VAL 87 -9.367 11.677 5.510 647 HG22 VAL 87 1HG2 VAL 87 -9.224 13.084 4.450 648 HG23 VAL 87 2HG2 VAL 87 -10.533 11.927 4.203 649 H ASP 88 H ASP 88 -12.408 11.717 4.243 650 HA ASP 88 HA ASP 88 -15.113 12.783 4.503 651 HB2 ASP 88 2HB ASP 88 -13.349 12.180 2.145 652 HB3 ASP 88 1HB ASP 88 -15.079 12.471 1.948 653 H ASN 89 H ASN 89 -13.828 9.989 5.184 654 HA ASN 89 HA ASN 89 -14.432 7.796 5.172 655 HB2 ASN 89 2HB ASN 89 -17.171 9.039 4.915 656 HB3 ASN 89 1HB ASN 89 -16.856 7.368 5.364 657 HD21 ASN 89 1HD2 ASN 89 -14.594 7.855 6.991 658 HD22 ASN 89 2HD2 ASN 89 -15.141 8.644 8.426 659 H GLU 90 H GLU 90 -13.744 8.891 2.571 660 HA GLU 90 HA GLU 90 -15.578 7.782 0.652 661 HB2 GLU 90 2HB GLU 90 -12.731 8.709 0.248 662 HB3 GLU 90 1HB GLU 90 -13.913 8.401 -1.017 663 HG2 GLU 90 2HG GLU 90 -14.166 10.504 1.111 664 HG3 GLU 90 1HG GLU 90 -13.614 10.785 -0.538 665 H GLN 91 H GLN 91 -14.883 6.168 -0.961 666 HA GLN 91 HA GLN 91 -12.855 4.279 -0.100 667 HB2 GLN 91 2HB GLN 91 -14.964 3.626 1.087 668 HB3 GLN 91 1HB GLN 91 -15.714 3.377 -0.482 669 HG2 GLN 91 2HG GLN 91 -13.185 1.952 0.222 670 HG3 GLN 91 1HG GLN 91 -14.740 1.361 0.806 671 HE21 GLN 91 1HE2 GLN 91 -16.252 0.585 -0.678 672 HE22 GLN 91 2HE2 GLN 91 -15.805 0.126 -2.282 673 H LEU 92 H LEU 92 -11.731 4.513 -1.964 674 HA LEU 92 HA LEU 92 -13.072 4.330 -4.532 675 HB2 LEU 92 2HB LEU 92 -10.123 4.583 -3.925 676 HB3 LEU 92 1HB LEU 92 -10.876 4.770 -5.496 677 HG LEU 92 HG LEU 92 -10.372 6.950 -4.742 678 HD11 LEU 92 1HD1 LEU 92 -12.561 6.804 -5.754 679 HD12 LEU 92 2HD1 LEU 92 -12.565 8.014 -4.468 680 HD13 LEU 92 3HD1 LEU 92 -13.287 6.427 -4.190 681 HD21 LEU 92 3HD2 LEU 92 -10.775 7.826 -2.607 682 HD22 LEU 92 1HD2 LEU 92 -10.126 6.212 -2.324 683 HD23 LEU 92 2HD2 LEU 92 -11.859 6.507 -2.173 684 H ASN 93 H ASN 93 -13.321 2.445 -5.598 685 HA ASN 93 HA ASN 93 -11.818 0.137 -4.589 686 HB2 ASN 93 2HB ASN 93 -13.613 -1.148 -5.943 687 HB3 ASN 93 1HB ASN 93 -14.082 -0.386 -4.428 688 HD21 ASN 93 1HD2 ASN 93 -16.236 -0.302 -5.076 689 HD22 ASN 93 2HD2 ASN 93 -16.796 0.834 -6.251 690 H LEU 94 H LEU 94 -9.948 0.118 -5.704 691 HA LEU 94 HA LEU 94 -9.869 0.364 -8.583 692 HB2 LEU 94 2HB LEU 94 -8.049 1.044 -6.852 693 HB3 LEU 94 1HB LEU 94 -7.642 -0.659 -6.831 694 HG LEU 94 HG LEU 94 -7.738 0.685 -9.475 695 HD11 LEU 94 1HD1 LEU 94 -6.543 2.330 -8.181 696 HD12 LEU 94 2HD1 LEU 94 -5.392 1.428 -9.166 697 HD13 LEU 94 3HD1 LEU 94 -5.544 1.077 -7.444 698 HD21 LEU 94 3HD2 LEU 94 -7.289 -1.695 -9.304 699 HD22 LEU 94 1HD2 LEU 94 -5.951 -1.380 -8.200 700 HD23 LEU 94 2HD2 LEU 94 -5.860 -0.838 -9.876 701 H GLU 95 H GLU 95 -11.413 -1.357 -8.953 702 HA GLU 95 HA GLU 95 -10.822 -4.042 -8.136 703 HB2 GLU 95 2HB GLU 95 -12.862 -3.133 -10.155 704 HB3 GLU 95 1HB GLU 95 -12.839 -4.651 -9.268 705 HG2 GLU 95 2HG GLU 95 -13.320 -3.558 -7.220 706 HG3 GLU 95 1HG GLU 95 -13.081 -1.967 -7.942 707 H ASP 96 H ASP 96 -11.602 -5.530 -10.269 708 HA ASP 96 HA ASP 96 -9.308 -6.276 -11.525 709 HB2 ASP 96 2HB ASP 96 -10.950 -7.125 -13.375 710 HB3 ASP 96 1HB ASP 96 -11.037 -7.793 -11.748 711 H GLU 97 H GLU 97 -11.788 -4.170 -12.971 712 HA GLU 97 HA GLU 97 -10.695 -3.668 -15.417 713 HB2 GLU 97 2HB GLU 97 -12.020 -1.646 -13.601 714 HB3 GLU 97 1HB GLU 97 -11.786 -1.448 -15.333 715 HG2 GLU 97 2HG GLU 97 -13.229 -3.337 -15.777 716 HG3 GLU 97 1HG GLU 97 -13.407 -3.635 -14.049 717 H ASP 98 H ASP 98 -9.360 -2.815 -12.396 718 HA ASP 98 HA ASP 98 -7.296 -1.203 -13.736 719 HB2 ASP 98 2HB ASP 98 -8.402 -0.828 -10.939 720 HB3 ASP 98 1HB ASP 98 -7.041 0.063 -11.620 721 H ILE 99 H ILE 99 -7.998 -3.956 -11.887 722 HA ILE 99 HA ILE 99 -5.347 -4.164 -10.695 723 HB ILE 99 HB ILE 99 -7.776 -5.947 -10.533 724 HG12 ILE 99 2HG1 ILE 99 -7.762 -3.783 -9.284 725 HG13 ILE 99 1HG1 ILE 99 -7.926 -5.207 -8.267 726 HG21 ILE 99 1HG2 ILE 99 -5.919 -7.431 -10.430 727 HG22 ILE 99 2HG2 ILE 99 -6.477 -7.178 -8.775 728 HG23 ILE 99 3HG2 ILE 99 -5.034 -6.347 -9.356 729 HD11 ILE 99 3HD1 ILE 99 -5.427 -3.589 -8.691 730 HD12 ILE 99 1HD1 ILE 99 -5.538 -5.056 -7.718 731 HD13 ILE 99 2HD1 ILE 99 -6.441 -3.615 -7.247 732 H GLU 100 H GLU 100 -7.314 -5.821 -13.132 733 HA GLU 100 HA GLU 100 -5.709 -7.956 -13.761 734 HB2 GLU 100 2HB GLU 100 -7.939 -7.509 -14.747 735 HB3 GLU 100 1HB GLU 100 -7.226 -6.240 -15.735 736 HG2 GLU 100 2HG GLU 100 -5.761 -7.943 -16.777 737 HG3 GLU 100 1HG GLU 100 -6.614 -9.182 -15.859 738 H SER 101 H SER 101 -5.283 -4.590 -14.619 739 HA SER 101 HA SER 101 -2.651 -5.266 -15.748 740 HB2 SER 101 2HB SER 101 -4.216 -4.669 -17.574 741 HB3 SER 101 1HB SER 101 -4.515 -3.117 -16.792 742 HG SER 101 HG SER 101 -2.722 -2.397 -17.602 743 H ILE 102 H ILE 102 -3.211 -4.565 -13.075 744 HA ILE 102 HA ILE 102 -2.842 -1.824 -12.541 745 HB ILE 102 HB ILE 102 -3.732 -3.376 -10.866 746 HG12 ILE 102 2HG1 ILE 102 -2.219 -2.621 -8.943 747 HG13 ILE 102 1HG1 ILE 102 -1.215 -1.863 -10.174 748 HG21 ILE 102 1HG2 ILE 102 -2.151 -4.840 -9.630 749 HG22 ILE 102 2HG2 ILE 102 -0.927 -4.487 -10.850 750 HG23 ILE 102 3HG2 ILE 102 -2.407 -5.334 -11.303 751 HD11 ILE 102 3HD1 ILE 102 -2.721 -0.258 -9.172 752 HD12 ILE 102 1HD1 ILE 102 -4.103 -1.250 -9.631 753 HD13 ILE 102 2HD1 ILE 102 -3.110 -0.499 -10.876 754 H ASP 103 H ASP 103 -1.049 -0.645 -12.054 755 HA ASP 103 HA ASP 103 1.576 -1.925 -12.220 756 HB2 ASP 103 2HB ASP 103 0.871 0.604 -13.723 757 HB3 ASP 103 1HB ASP 103 2.437 -0.198 -13.698 758 H ALA 104 H ALA 104 3.213 -0.812 -11.032 759 HA ALA 104 HA ALA 104 2.467 0.334 -8.660 760 HB1 ALA 104 1HB ALA 104 5.016 0.832 -10.181 761 HB2 ALA 104 2HB ALA 104 4.707 -0.463 -9.022 762 HB3 ALA 104 3HB ALA 104 4.753 1.215 -8.480 763 H THR 105 H THR 105 3.018 1.904 -11.740 764 HA THR 105 HA THR 105 2.901 4.580 -10.890 765 HB THR 105 HB THR 105 2.053 3.384 -13.536 766 HG1 THR 105 1HG THR 105 4.495 4.614 -12.716 767 HG21 THR 105 3HG2 THR 105 2.446 5.687 -14.392 768 HG22 THR 105 1HG2 THR 105 2.591 6.233 -12.720 769 HG23 THR 105 2HG2 THR 105 1.068 5.553 -13.298 770 H LYS 106 H LYS 106 0.387 2.369 -12.059 771 HA LYS 106 HA LYS 106 -1.755 4.167 -11.952 772 HB2 LYS 106 2HB LYS 106 -1.786 1.160 -11.627 773 HB3 LYS 106 1HB LYS 106 -3.191 2.164 -11.968 774 HG2 LYS 106 2HG LYS 106 -2.242 2.825 -14.093 775 HG3 LYS 106 1HG LYS 106 -0.779 1.900 -13.752 776 HD2 LYS 106 2HD LYS 106 -2.118 0.553 -15.185 777 HD3 LYS 106 1HD LYS 106 -2.252 -0.140 -13.570 778 HE2 LYS 106 2HE LYS 106 -4.399 0.888 -13.247 779 HE3 LYS 106 1HE LYS 106 -4.252 1.770 -14.765 780 HZ1 LYS 106 3HZ LYS 106 -5.677 -0.169 -14.992 781 HZ2 LYS 106 1HZ LYS 106 -4.415 -1.183 -14.500 782 HZ3 LYS 106 2HZ LYS 106 -4.295 -0.327 -15.953 783 H LEU 107 H LEU 107 -0.928 1.598 -9.589 784 HA LEU 107 HA LEU 107 -2.817 2.207 -7.675 785 HB2 LEU 107 2HB LEU 107 -0.626 0.515 -7.825 786 HB3 LEU 107 1HB LEU 107 -0.216 1.579 -6.495 787 HG LEU 107 HG LEU 107 -2.473 -0.386 -6.705 788 HD11 LEU 107 1HD1 LEU 107 -0.565 -1.297 -5.693 789 HD12 LEU 107 2HD1 LEU 107 -1.619 -0.856 -4.353 790 HD13 LEU 107 3HD1 LEU 107 -0.245 0.171 -4.770 791 HD21 LEU 107 3HD2 LEU 107 -2.338 1.940 -4.786 792 HD22 LEU 107 1HD2 LEU 107 -3.438 0.566 -4.647 793 HD23 LEU 107 2HD2 LEU 107 -3.568 1.664 -6.021 794 H SER 108 H SER 108 0.536 3.410 -7.807 795 HA SER 108 HA SER 108 0.356 5.194 -5.665 796 HB2 SER 108 2HB SER 108 2.077 5.426 -8.145 797 HB3 SER 108 1HB SER 108 2.346 6.270 -6.620 798 HG SER 108 HG SER 108 2.095 3.638 -6.169 799 H ARG 109 H ARG 109 -0.630 5.513 -9.000 800 HA ARG 109 HA ARG 109 -0.963 8.328 -8.993 801 HB2 ARG 109 2HB ARG 109 -0.722 6.939 -11.053 802 HB3 ARG 109 1HB ARG 109 -2.310 6.264 -10.745 803 HG2 ARG 109 2HG ARG 109 -1.945 9.218 -11.032 804 HG3 ARG 109 1HG ARG 109 -2.072 8.177 -12.450 805 HD2 ARG 109 2HD ARG 109 -4.198 7.265 -11.366 806 HD3 ARG 109 1HD ARG 109 -4.100 8.657 -10.285 807 HE ARG 109 HE ARG 109 -3.930 9.758 -12.756 808 HH11 ARG 109 1HH1 ARG 109 -6.180 7.566 -11.250 809 HH12 ARG 109 2HH1 ARG 109 -7.532 8.103 -12.190 810 HH21 ARG 109 1HH2 ARG 109 -5.700 10.468 -14.001 811 HH22 ARG 109 2HH2 ARG 109 -7.258 9.754 -13.755 812 H PHE 110 H PHE 110 -3.437 5.782 -9.169 813 HA PHE 110 HA PHE 110 -5.675 7.218 -8.633 814 HB2 PHE 110 2HB PHE 110 -4.892 4.421 -7.885 815 HB3 PHE 110 1HB PHE 110 -6.432 5.077 -7.329 816 HD1 PHE 110 1HD PHE 110 -8.165 5.708 -8.942 817 HD2 PHE 110 2HD PHE 110 -4.552 3.830 -10.174 818 HE1 PHE 110 1HE PHE 110 -9.196 5.155 -11.106 819 HE2 PHE 110 2HE PHE 110 -5.576 3.272 -12.342 820 HZ PHE 110 HZ PHE 110 -7.901 3.936 -12.810 821 H ILE 111 H ILE 111 -3.373 5.957 -6.249 822 HA ILE 111 HA ILE 111 -4.741 6.861 -3.958 823 HB ILE 111 HB ILE 111 -1.782 6.422 -4.404 824 HG12 ILE 111 2HG1 ILE 111 -3.813 4.726 -2.942 825 HG13 ILE 111 1HG1 ILE 111 -3.309 4.449 -4.601 826 HG21 ILE 111 1HG2 ILE 111 -1.585 6.405 -1.960 827 HG22 ILE 111 2HG2 ILE 111 -3.278 6.878 -1.829 828 HG23 ILE 111 3HG2 ILE 111 -2.109 7.975 -2.567 829 HD11 ILE 111 3HD1 ILE 111 -2.130 2.959 -3.140 830 HD12 ILE 111 1HD1 ILE 111 -1.572 4.312 -2.155 831 HD13 ILE 111 2HD1 ILE 111 -0.997 4.131 -3.813 832 H GLU 112 H GLU 112 -2.005 8.287 -5.729 833 HA GLU 112 HA GLU 112 -1.810 10.681 -4.362 834 HB2 GLU 112 2HB GLU 112 -0.236 9.830 -6.116 835 HB3 GLU 112 1HB GLU 112 -1.414 10.302 -7.334 836 HG2 GLU 112 2HG GLU 112 -0.442 12.331 -5.382 837 HG3 GLU 112 1HG GLU 112 0.589 11.861 -6.732 838 H ILE 113 H ILE 113 -4.217 9.573 -6.519 839 HA ILE 113 HA ILE 113 -5.249 12.190 -7.166 840 HB ILE 113 HB ILE 113 -5.729 9.431 -8.058 841 HG12 ILE 113 2HG1 ILE 113 -5.949 10.536 -10.227 842 HG13 ILE 113 1HG1 ILE 113 -5.964 12.110 -9.438 843 HG21 ILE 113 1HG2 ILE 113 -7.952 9.881 -8.963 844 HG22 ILE 113 2HG2 ILE 113 -7.999 11.405 -8.074 845 HG23 ILE 113 3HG2 ILE 113 -7.938 9.873 -7.203 846 HD11 ILE 113 3HD1 ILE 113 -3.687 11.796 -8.702 847 HD12 ILE 113 1HD1 ILE 113 -3.797 11.569 -10.447 848 HD13 ILE 113 2HD1 ILE 113 -3.667 10.168 -9.383 849 H ASN 114 H ASN 114 -6.142 9.478 -5.051 850 HA ASN 114 HA ASN 114 -8.247 11.205 -3.921 851 HB2 ASN 114 2HB ASN 114 -8.183 8.187 -4.048 852 HB3 ASN 114 1HB ASN 114 -9.397 9.133 -3.190 853 HD21 ASN 114 1HD2 ASN 114 -10.698 10.609 -4.469 854 HD22 ASN 114 2HD2 ASN 114 -11.080 10.191 -6.102 855 H SER 115 H SER 115 -5.370 10.991 -3.154 856 HA SER 115 HA SER 115 -5.385 9.693 -0.584 857 HB2 SER 115 2HB SER 115 -3.120 10.655 -0.340 858 HB3 SER 115 1HB SER 115 -3.312 9.813 -1.879 859 HG SER 115 HG SER 115 -2.596 12.333 -1.468 860 H LEU 116 H LEU 116 -7.492 11.391 -0.643 861 HA LEU 116 HA LEU 116 -6.686 13.771 0.865 862 HB2 LEU 116 2HB LEU 116 -9.395 13.101 -0.270 863 HB3 LEU 116 1HB LEU 116 -8.874 14.645 0.381 864 HG LEU 116 HG LEU 116 -7.869 13.350 -2.155 865 HD11 LEU 116 1HD1 LEU 116 -8.978 15.195 -3.277 866 HD12 LEU 116 2HD1 LEU 116 -9.538 15.825 -1.728 867 HD13 LEU 116 3HD1 LEU 116 -10.135 14.274 -2.317 868 HD21 LEU 116 3HD2 LEU 116 -6.660 15.474 -2.493 869 HD22 LEU 116 1HD2 LEU 116 -6.076 14.579 -1.091 870 HD23 LEU 116 2HD2 LEU 116 -7.127 15.977 -0.869 Start of MODEL 15 1 H GLU 1 H GLU 1 23.200 -15.799 11.975 2 HA GLU 1 HA GLU 1 24.490 -16.546 14.387 3 HB2 GLU 1 2HB GLU 1 24.812 -18.596 12.185 4 HB3 GLU 1 1HB GLU 1 25.701 -18.566 13.702 5 HG2 GLU 1 2HG GLU 1 23.670 -18.964 14.944 6 HG3 GLU 1 1HG GLU 1 22.721 -18.893 13.460 7 H VAL 2 H VAL 2 25.315 -17.037 10.951 8 HA VAL 2 HA VAL 2 27.607 -15.240 11.326 9 HB VAL 2 HB VAL 2 28.450 -16.197 9.190 10 HG11 VAL 2 1HG1 VAL 2 29.054 -18.393 10.122 11 HG12 VAL 2 2HG1 VAL 2 27.827 -18.185 11.370 12 HG13 VAL 2 3HG1 VAL 2 29.214 -17.098 11.307 13 HG21 VAL 2 3HG2 VAL 2 27.407 -18.219 8.294 14 HG22 VAL 2 1HG2 VAL 2 26.302 -16.847 8.219 15 HG23 VAL 2 2HG2 VAL 2 26.101 -18.072 9.471 16 H GLU 3 H GLU 3 24.526 -15.412 9.903 17 HA GLU 3 HA GLU 3 25.032 -12.897 8.484 18 HB2 GLU 3 2HB GLU 3 23.543 -15.266 7.341 19 HB3 GLU 3 1HB GLU 3 23.585 -13.667 6.614 20 HG2 GLU 3 2HG GLU 3 25.971 -13.840 6.280 21 HG3 GLU 3 1HG GLU 3 25.996 -15.400 7.102 22 H LYS 4 H LYS 4 22.308 -15.134 9.011 23 HA LYS 4 HA LYS 4 20.244 -14.857 9.911 24 HB2 LYS 4 2HB LYS 4 21.540 -14.093 11.888 25 HB3 LYS 4 1HB LYS 4 21.441 -12.445 11.286 26 HG2 LYS 4 2HG LYS 4 18.996 -12.538 11.463 27 HG3 LYS 4 1HG LYS 4 19.117 -14.178 12.103 28 HD2 LYS 4 2HD LYS 4 20.389 -11.753 13.370 29 HD3 LYS 4 1HD LYS 4 18.830 -12.427 13.852 30 HE2 LYS 4 2HE LYS 4 21.450 -13.920 13.892 31 HE3 LYS 4 1HE LYS 4 20.696 -13.169 15.296 32 HZ1 LYS 4 3HZ LYS 4 20.232 -15.550 15.156 33 HZ2 LYS 4 1HZ LYS 4 19.477 -15.326 13.657 34 HZ3 LYS 4 2HZ LYS 4 18.813 -14.637 15.051 35 H SER 5 H SER 5 18.315 -13.859 9.431 36 HA SER 5 HA SER 5 16.845 -12.572 8.272 37 HB2 SER 5 2HB SER 5 17.694 -10.773 9.734 38 HB3 SER 5 1HB SER 5 18.964 -10.427 8.561 39 HG SER 5 HG SER 5 16.220 -10.362 7.882 40 H SER 6 H SER 6 16.711 -11.052 6.233 41 HA SER 6 HA SER 6 17.777 -12.527 4.069 42 HB2 SER 6 2HB SER 6 15.647 -11.330 3.894 43 HB3 SER 6 1HB SER 6 16.482 -9.789 4.087 44 HG SER 6 HG SER 6 15.996 -11.014 1.850 45 H ASP 7 H ASP 7 18.239 -9.039 4.624 46 HA ASP 7 HA ASP 7 21.108 -9.337 4.186 47 HB2 ASP 7 2HB ASP 7 20.216 -8.979 1.938 48 HB3 ASP 7 1HB ASP 7 19.356 -7.545 2.488 49 H GLY 8 H GLY 8 22.350 -7.642 5.025 50 HA2 GLY 8 2HA GLY 8 21.358 -6.367 7.302 51 HA3 GLY 8 1HA GLY 8 22.851 -5.940 6.480 52 HA PRO 9 HA PRO 9 21.235 -2.009 5.333 53 HB2 PRO 9 2HB PRO 9 22.160 -2.502 2.556 54 HB3 PRO 9 1HB PRO 9 22.569 -1.188 3.663 55 HG2 PRO 9 2HG PRO 9 24.322 -3.128 3.137 56 HG3 PRO 9 1HG PRO 9 24.179 -2.439 4.765 57 HD2 PRO 9 2HD PRO 9 23.142 -5.038 3.707 58 HD3 PRO 9 1HD PRO 9 23.855 -4.669 5.290 59 H GLY 10 H GLY 10 19.110 -1.707 5.135 60 HA2 GLY 10 2HA GLY 10 17.442 -1.358 3.262 61 HA3 GLY 10 1HA GLY 10 17.700 -3.063 2.923 62 H ALA 11 H ALA 11 15.175 -2.019 3.433 63 HA ALA 11 HA ALA 11 14.328 -3.716 5.570 64 HB1 ALA 11 1HB ALA 11 13.299 -1.996 6.975 65 HB2 ALA 11 2HB ALA 11 14.008 -0.739 5.959 66 HB3 ALA 11 3HB ALA 11 15.051 -1.803 6.904 67 H ALA 12 H ALA 12 13.004 -0.685 4.259 68 HA ALA 12 HA ALA 12 11.120 -0.219 3.081 69 HB1 ALA 12 1HB ALA 12 11.356 -2.999 1.958 70 HB2 ALA 12 2HB ALA 12 12.353 -1.644 1.427 71 HB3 ALA 12 3HB ALA 12 10.602 -1.588 1.214 72 H GLN 13 H GLN 13 9.424 0.017 4.385 73 HA GLN 13 HA GLN 13 8.298 -1.936 6.036 74 HB2 GLN 13 2HB GLN 13 6.325 -0.380 6.128 75 HB3 GLN 13 1HB GLN 13 7.874 0.364 6.508 76 HG2 GLN 13 2HG GLN 13 7.984 1.253 4.220 77 HG3 GLN 13 1HG GLN 13 6.400 0.549 3.891 78 HE21 GLN 13 1HE2 GLN 13 5.479 2.546 3.461 79 HE22 GLN 13 2HE2 GLN 13 5.137 3.694 4.705 80 H GLU 14 H GLU 14 6.005 -2.712 5.896 81 HA GLU 14 HA GLU 14 5.208 -3.337 3.140 82 HB2 GLU 14 2HB GLU 14 4.825 -5.646 3.687 83 HB3 GLU 14 1HB GLU 14 6.474 -5.240 4.144 84 HG2 GLU 14 2HG GLU 14 5.614 -4.898 6.487 85 HG3 GLU 14 1HG GLU 14 4.099 -5.614 5.938 86 HA PRO 15 HA PRO 15 1.112 -2.267 4.336 87 HB2 PRO 15 2HB PRO 15 -0.400 -4.180 3.091 88 HB3 PRO 15 1HB PRO 15 0.326 -2.797 2.266 89 HG2 PRO 15 2HG PRO 15 1.267 -5.623 2.420 90 HG3 PRO 15 1HG PRO 15 1.284 -4.503 1.047 91 HD2 PRO 15 2HD PRO 15 3.491 -5.046 2.516 92 HD3 PRO 15 1HD PRO 15 3.212 -3.466 1.754 93 H THR 16 H THR 16 -0.563 -2.729 5.745 94 HA THR 16 HA THR 16 0.014 -4.564 7.829 95 HB THR 16 HB THR 16 -2.570 -3.079 7.316 96 HG1 THR 16 1HG THR 16 -0.117 -2.187 7.994 97 HG21 THR 16 3HG2 THR 16 -2.844 -3.286 9.769 98 HG22 THR 16 1HG2 THR 16 -1.408 -4.309 9.816 99 HG23 THR 16 2HG2 THR 16 -2.845 -4.847 8.949 100 H TRP 17 H TRP 17 -1.261 -6.316 8.575 101 HA TRP 17 HA TRP 17 -2.467 -7.851 6.391 102 HB2 TRP 17 2HB TRP 17 -1.483 -8.706 9.122 103 HB3 TRP 17 1HB TRP 17 -2.184 -9.791 7.924 104 HD1 TRP 17 HD TRP 17 1.016 -7.938 8.781 105 HE1 TRP 17 1HE TRP 17 2.892 -8.725 7.204 106 HE3 TRP 17 3HE TRP 17 -1.778 -10.696 5.508 107 HZ2 TRP 17 2HZ TRP 17 3.152 -10.304 4.878 108 HZ3 TRP 17 3HZ TRP 17 -0.641 -11.810 3.632 109 HH2 TRP 17 HH TRP 17 1.774 -11.618 3.325 110 H LEU 18 H LEU 18 -4.535 -6.993 6.312 111 HA LEU 18 HA LEU 18 -6.155 -6.952 8.738 112 HB2 LEU 18 2HB LEU 18 -6.929 -6.203 5.920 113 HB3 LEU 18 1HB LEU 18 -7.824 -5.843 7.386 114 HG LEU 18 HG LEU 18 -5.100 -4.736 6.709 115 HD11 LEU 18 1HD1 LEU 18 -7.840 -3.509 6.545 116 HD12 LEU 18 2HD1 LEU 18 -6.712 -3.795 5.220 117 HD13 LEU 18 3HD1 LEU 18 -6.334 -2.597 6.459 118 HD21 LEU 18 3HD2 LEU 18 -5.603 -3.202 8.611 119 HD22 LEU 18 1HD2 LEU 18 -5.347 -4.883 9.078 120 HD23 LEU 18 2HD2 LEU 18 -6.981 -4.229 9.003 121 H THR 19 H THR 19 -5.893 -9.362 8.839 122 HA THR 19 HA THR 19 -7.205 -11.005 6.915 123 HB THR 19 HB THR 19 -6.880 -12.830 8.489 124 HG1 THR 19 1HG THR 19 -7.241 -11.158 10.343 125 HG21 THR 19 3HG2 THR 19 -4.430 -12.660 8.782 126 HG22 THR 19 1HG2 THR 19 -4.521 -10.949 8.363 127 HG23 THR 19 2HG2 THR 19 -4.955 -12.174 7.169 128 H ASP 20 H ASP 20 -8.515 -8.875 9.065 129 HA ASP 20 HA ASP 20 -11.044 -10.349 9.054 130 HB2 ASP 20 2HB ASP 20 -9.800 -9.101 11.509 131 HB3 ASP 20 1HB ASP 20 -11.472 -9.648 11.416 132 H VAL 21 H VAL 21 -12.897 -9.100 9.054 133 HA VAL 21 HA VAL 21 -12.796 -6.652 7.736 134 HB VAL 21 HB VAL 21 -15.073 -7.639 9.462 135 HG11 VAL 21 1HG1 VAL 21 -15.282 -5.301 8.787 136 HG12 VAL 21 2HG1 VAL 21 -16.476 -6.310 7.969 137 HG13 VAL 21 3HG1 VAL 21 -15.043 -5.762 7.101 138 HG21 VAL 21 3HG2 VAL 21 -15.944 -8.675 7.424 139 HG22 VAL 21 1HG2 VAL 21 -14.380 -9.355 7.873 140 HG23 VAL 21 2HG2 VAL 21 -14.487 -8.189 6.554 141 HA PRO 22 HA PRO 22 -13.747 -4.545 12.068 142 HB2 PRO 22 2HB PRO 22 -12.512 -5.880 14.151 143 HB3 PRO 22 1HB PRO 22 -14.236 -5.969 13.778 144 HG2 PRO 22 2HG PRO 22 -12.040 -7.863 13.057 145 HG3 PRO 22 1HG PRO 22 -13.692 -8.216 13.601 146 HD2 PRO 22 2HD PRO 22 -13.014 -8.415 11.026 147 HD3 PRO 22 1HD PRO 22 -14.603 -7.787 11.508 148 H ALA 23 H ALA 23 -10.782 -6.514 11.858 149 HA ALA 23 HA ALA 23 -9.058 -4.538 12.888 150 HB1 ALA 23 1HB ALA 23 -8.513 -6.965 12.738 151 HB2 ALA 23 2HB ALA 23 -7.248 -5.911 12.106 152 HB3 ALA 23 3HB ALA 23 -8.318 -6.766 10.995 153 H ALA 24 H ALA 24 -10.244 -5.259 9.702 154 HA ALA 24 HA ALA 24 -8.480 -3.626 8.217 155 HB1 ALA 24 1HB ALA 24 -10.270 -3.694 6.471 156 HB2 ALA 24 2HB ALA 24 -11.305 -4.532 7.630 157 HB3 ALA 24 3HB ALA 24 -9.807 -5.285 7.082 158 H MET 25 H MET 25 -11.846 -3.048 9.212 159 HA MET 25 HA MET 25 -11.978 -0.353 8.496 160 HB2 MET 25 2HB MET 25 -13.513 -1.707 10.717 161 HB3 MET 25 1HB MET 25 -13.984 -0.256 9.844 162 HG2 MET 25 2HG MET 25 -14.118 -1.604 7.772 163 HG3 MET 25 1HG MET 25 -13.776 -3.041 8.731 164 HE1 MET 25 3HE MET 25 -16.297 -0.082 8.134 165 HE2 MET 25 1HE MET 25 -15.946 0.043 9.859 166 HE3 MET 25 2HE MET 25 -17.551 -0.447 9.319 167 H GLU 26 H GLU 26 -10.646 -1.907 11.321 168 HA GLU 26 HA GLU 26 -10.628 0.416 12.979 169 HB2 GLU 26 2HB GLU 26 -9.292 -2.264 13.105 170 HB3 GLU 26 1HB GLU 26 -8.786 -0.978 14.196 171 HG2 GLU 26 2HG GLU 26 -11.190 -0.766 14.888 172 HG3 GLU 26 1HG GLU 26 -11.501 -2.239 13.971 173 H PHE 27 H PHE 27 -8.104 -1.236 11.081 174 HA PHE 27 HA PHE 27 -6.070 0.604 11.624 175 HB2 PHE 27 2HB PHE 27 -6.521 -1.504 9.593 176 HB3 PHE 27 1HB PHE 27 -5.353 -0.255 9.164 177 HD1 PHE 27 2HD PHE 27 -3.322 0.058 10.485 178 HD2 PHE 27 1HD PHE 27 -6.055 -3.094 11.325 179 HE1 PHE 27 2HE PHE 27 -1.608 -1.058 11.852 180 HE2 PHE 27 1HE PHE 27 -4.347 -4.216 12.695 181 HZ PHE 27 HZ PHE 27 -2.120 -3.198 12.960 182 H ILE 28 H ILE 28 -8.686 0.625 9.300 183 HA ILE 28 HA ILE 28 -7.733 2.906 7.847 184 HB ILE 28 HB ILE 28 -10.398 1.516 7.988 185 HG12 ILE 28 2HG1 ILE 28 -8.653 1.995 5.579 186 HG13 ILE 28 1HG1 ILE 28 -8.375 0.633 6.666 187 HG21 ILE 28 1HG2 ILE 28 -10.964 3.833 7.739 188 HG22 ILE 28 2HG2 ILE 28 -11.156 3.045 6.175 189 HG23 ILE 28 3HG2 ILE 28 -9.740 4.045 6.491 190 HD11 ILE 28 3HD1 ILE 28 -11.048 1.113 5.401 191 HD12 ILE 28 1HD1 ILE 28 -10.405 -0.374 6.101 192 HD13 ILE 28 2HD1 ILE 28 -9.766 0.231 4.570 193 H ALA 29 H ALA 29 -9.926 2.351 10.537 194 HA ALA 29 HA ALA 29 -10.841 5.042 10.742 195 HB1 ALA 29 1HB ALA 29 -12.188 3.217 11.589 196 HB2 ALA 29 2HB ALA 29 -11.776 4.319 12.904 197 HB3 ALA 29 3HB ALA 29 -10.924 2.782 12.740 198 H ALA 30 H ALA 30 -7.995 3.420 11.721 199 HA ALA 30 HA ALA 30 -7.377 5.392 13.790 200 HB1 ALA 30 1HB ALA 30 -6.918 3.024 14.248 201 HB2 ALA 30 2HB ALA 30 -5.452 4.005 14.298 202 HB3 ALA 30 3HB ALA 30 -5.789 2.992 12.893 203 H THR 31 H THR 31 -7.520 6.073 10.908 204 HA THR 31 HA THR 31 -5.223 7.732 10.781 205 HB THR 31 HB THR 31 -4.076 5.681 10.149 206 HG1 THR 31 1HG THR 31 -3.412 7.565 9.063 207 HG21 THR 31 3HG2 THR 31 -5.744 5.454 7.682 208 HG22 THR 31 1HG2 THR 31 -6.306 4.724 9.186 209 HG23 THR 31 2HG2 THR 31 -4.763 4.233 8.494 210 H GLU 32 H GLU 32 -5.231 9.145 8.948 211 HA GLU 32 HA GLU 32 -7.821 9.888 8.086 212 HB2 GLU 32 2HB GLU 32 -5.640 11.292 8.317 213 HB3 GLU 32 1HB GLU 32 -5.315 10.753 6.674 214 HG2 GLU 32 2HG GLU 32 -7.350 11.761 5.891 215 HG3 GLU 32 1HG GLU 32 -7.804 12.195 7.540 216 H VAL 33 H VAL 33 -5.113 9.112 5.901 217 HA VAL 33 HA VAL 33 -7.053 7.958 4.032 218 HB VAL 33 HB VAL 33 -4.164 8.633 3.498 219 HG11 VAL 33 1HG1 VAL 33 -4.896 8.635 1.142 220 HG12 VAL 33 2HG1 VAL 33 -6.495 8.091 1.662 221 HG13 VAL 33 3HG1 VAL 33 -5.083 7.058 1.914 222 HG21 VAL 33 3HG2 VAL 33 -6.645 10.291 3.097 223 HG22 VAL 33 1HG2 VAL 33 -5.073 10.666 2.390 224 HG23 VAL 33 2HG2 VAL 33 -5.271 10.660 4.142 225 H ALA 34 H ALA 34 -6.943 5.857 3.335 226 HA ALA 34 HA ALA 34 -4.744 4.183 4.288 227 HB1 ALA 34 1HB ALA 34 -6.334 3.928 6.043 228 HB2 ALA 34 2HB ALA 34 -6.398 2.463 5.057 229 HB3 ALA 34 3HB ALA 34 -7.651 3.693 4.893 230 H VAL 35 H VAL 35 -4.059 2.831 2.779 231 HA VAL 35 HA VAL 35 -5.908 2.138 0.594 232 HB VAL 35 HB VAL 35 -2.929 2.595 0.499 233 HG11 VAL 35 1HG1 VAL 35 -4.720 1.334 -1.581 234 HG12 VAL 35 2HG1 VAL 35 -3.351 0.579 -0.766 235 HG13 VAL 35 3HG1 VAL 35 -3.082 1.912 -1.888 236 HG21 VAL 35 3HG2 VAL 35 -4.322 4.568 0.310 237 HG22 VAL 35 1HG2 VAL 35 -5.282 3.793 -0.951 238 HG23 VAL 35 2HG2 VAL 35 -3.590 4.200 -1.253 239 H ILE 36 H ILE 36 -6.299 0.070 0.260 240 HA ILE 36 HA ILE 36 -4.556 -1.913 1.540 241 HB ILE 36 HB ILE 36 -7.562 -1.833 1.779 242 HG12 ILE 36 2HG1 ILE 36 -5.659 -1.789 4.082 243 HG13 ILE 36 1HG1 ILE 36 -5.926 -0.302 3.185 244 HG21 ILE 36 1HG2 ILE 36 -5.538 -3.843 2.768 245 HG22 ILE 36 2HG2 ILE 36 -6.848 -4.119 1.617 246 HG23 ILE 36 3HG2 ILE 36 -7.217 -3.771 3.307 247 HD11 ILE 36 3HD1 ILE 36 -7.365 -0.347 5.074 248 HD12 ILE 36 1HD1 ILE 36 -7.972 -1.943 4.633 249 HD13 ILE 36 2HD1 ILE 36 -8.343 -0.549 3.619 250 H GLY 37 H GLY 37 -4.252 -3.765 0.462 251 HA2 GLY 37 2HA GLY 37 -5.521 -3.977 -2.170 252 HA3 GLY 37 1HA GLY 37 -4.012 -4.735 -1.702 253 H PHE 38 H PHE 38 -7.452 -5.025 -1.802 254 HA PHE 38 HA PHE 38 -7.541 -7.446 -0.213 255 HB2 PHE 38 2HB PHE 38 -9.662 -6.128 -1.928 256 HB3 PHE 38 1HB PHE 38 -9.926 -7.494 -0.849 257 HD1 PHE 38 2HD PHE 38 -8.796 -6.962 1.606 258 HD2 PHE 38 1HD PHE 38 -10.480 -4.149 -1.102 259 HE1 PHE 38 2HE PHE 38 -9.230 -5.428 3.478 260 HE2 PHE 38 1HE PHE 38 -10.920 -2.611 0.767 261 HZ PHE 38 HZ PHE 38 -10.295 -3.250 3.061 262 H PHE 39 H PHE 39 -6.174 -8.864 -1.267 263 HA PHE 39 HA PHE 39 -6.890 -9.594 -4.023 264 HB2 PHE 39 2HB PHE 39 -4.350 -10.296 -2.562 265 HB3 PHE 39 1HB PHE 39 -4.669 -10.429 -4.290 266 HD1 PHE 39 2HD PHE 39 -5.817 -7.879 -4.993 267 HD2 PHE 39 1HD PHE 39 -2.666 -8.755 -2.272 268 HE1 PHE 39 2HE PHE 39 -4.898 -5.627 -5.339 269 HE2 PHE 39 1HE PHE 39 -1.742 -6.500 -2.611 270 HZ PHE 39 HZ PHE 39 -2.857 -4.933 -4.149 271 H GLN 40 H GLN 40 -7.336 -11.671 -4.594 272 HA GLN 40 HA GLN 40 -7.970 -13.511 -2.428 273 HB2 GLN 40 2HB GLN 40 -8.458 -13.708 -5.412 274 HB3 GLN 40 1HB GLN 40 -9.010 -14.879 -4.224 275 HG2 GLN 40 2HG GLN 40 -10.392 -13.160 -3.173 276 HG3 GLN 40 1HG GLN 40 -9.842 -11.989 -4.372 277 HE21 GLN 40 1HE2 GLN 40 -12.537 -12.970 -3.771 278 HE22 GLN 40 2HE2 GLN 40 -13.148 -13.611 -5.255 279 H ASP 41 H ASP 41 -5.410 -12.740 -4.331 280 HA ASP 41 HA ASP 41 -3.994 -15.190 -3.699 281 HB2 ASP 41 2HB ASP 41 -5.000 -15.575 -5.964 282 HB3 ASP 41 1HB ASP 41 -4.121 -14.164 -6.550 283 H LEU 42 H LEU 42 -2.122 -14.529 -2.816 284 HA LEU 42 HA LEU 42 -1.190 -11.832 -3.361 285 HB2 LEU 42 2HB LEU 42 -0.182 -13.897 -1.407 286 HB3 LEU 42 1HB LEU 42 0.408 -12.248 -1.529 287 HG LEU 42 HG LEU 42 -2.402 -13.043 -0.773 288 HD11 LEU 42 1HD1 LEU 42 -1.791 -12.219 1.452 289 HD12 LEU 42 2HD1 LEU 42 -0.135 -11.968 0.899 290 HD13 LEU 42 3HD1 LEU 42 -0.804 -13.599 0.970 291 HD21 LEU 42 3HD2 LEU 42 -2.433 -10.926 -1.904 292 HD22 LEU 42 1HD2 LEU 42 -1.052 -10.353 -0.966 293 HD23 LEU 42 2HD2 LEU 42 -2.602 -10.634 -0.172 294 H GLU 43 H GLU 43 -0.966 -13.361 -5.578 295 HA GLU 43 HA GLU 43 1.944 -13.527 -5.896 296 HB2 GLU 43 2HB GLU 43 -0.073 -15.591 -6.764 297 HB3 GLU 43 1HB GLU 43 1.541 -15.497 -7.452 298 HG2 GLU 43 2HG GLU 43 1.140 -15.689 -4.502 299 HG3 GLU 43 1HG GLU 43 1.087 -17.128 -5.518 300 H ILE 44 H ILE 44 -0.556 -11.823 -6.635 301 HA ILE 44 HA ILE 44 -0.249 -11.716 -9.543 302 HB ILE 44 HB ILE 44 -2.090 -9.924 -9.271 303 HG12 ILE 44 2HG1 ILE 44 -2.768 -11.360 -6.754 304 HG13 ILE 44 1HG1 ILE 44 -1.588 -10.061 -6.674 305 HG21 ILE 44 1HG2 ILE 44 -2.358 -12.237 -10.172 306 HG22 ILE 44 2HG2 ILE 44 -3.799 -11.595 -9.384 307 HG23 ILE 44 3HG2 ILE 44 -2.786 -12.767 -8.541 308 HD11 ILE 44 3HD1 ILE 44 -3.338 -8.655 -7.875 309 HD12 ILE 44 1HD1 ILE 44 -3.619 -9.055 -6.181 310 HD13 ILE 44 2HD1 ILE 44 -4.467 -9.940 -7.450 311 HA PRO 45 HA PRO 45 2.309 -8.123 -9.856 312 HB2 PRO 45 2HB PRO 45 0.036 -6.863 -11.333 313 HB3 PRO 45 1HB PRO 45 1.739 -6.969 -11.784 314 HG2 PRO 45 2HG PRO 45 -0.036 -8.560 -12.937 315 HG3 PRO 45 1HG PRO 45 1.550 -9.195 -12.458 316 HD2 PRO 45 2HD PRO 45 -1.113 -9.566 -11.156 317 HD3 PRO 45 1HD PRO 45 0.238 -10.707 -11.308 318 H ALA 46 H ALA 46 -1.052 -7.653 -8.943 319 HA ALA 46 HA ALA 46 -0.929 -5.007 -8.071 320 HB1 ALA 46 1HB ALA 46 -2.972 -6.456 -8.423 321 HB2 ALA 46 2HB ALA 46 -2.994 -5.387 -7.019 322 HB3 ALA 46 3HB ALA 46 -2.661 -7.108 -6.814 323 H VAL 47 H VAL 47 -0.143 -8.008 -6.352 324 HA VAL 47 HA VAL 47 0.013 -6.881 -3.790 325 HB VAL 47 HB VAL 47 1.809 -9.153 -4.559 326 HG11 VAL 47 1HG1 VAL 47 0.160 -8.540 -2.108 327 HG12 VAL 47 2HG1 VAL 47 1.903 -8.325 -2.271 328 HG13 VAL 47 3HG1 VAL 47 1.206 -9.944 -2.318 329 HG21 VAL 47 3HG2 VAL 47 -0.055 -10.699 -4.340 330 HG22 VAL 47 1HG2 VAL 47 -0.343 -9.570 -5.665 331 HG23 VAL 47 2HG2 VAL 47 -1.170 -9.349 -4.122 332 HA PRO 48 HA PRO 48 4.827 -6.346 -4.486 333 HB2 PRO 48 2HB PRO 48 4.891 -6.131 -7.447 334 HB3 PRO 48 1HB PRO 48 6.050 -6.892 -6.348 335 HG2 PRO 48 2HG PRO 48 4.428 -8.372 -7.853 336 HG3 PRO 48 1HG PRO 48 4.809 -8.845 -6.187 337 HD2 PRO 48 2HD PRO 48 2.341 -7.557 -7.272 338 HD3 PRO 48 1HD PRO 48 2.499 -8.824 -6.049 339 H ILE 49 H ILE 49 2.645 -5.038 -6.936 340 HA ILE 49 HA ILE 49 3.754 -2.473 -7.126 341 HB ILE 49 HB ILE 49 1.089 -3.639 -7.768 342 HG12 ILE 49 2HG1 ILE 49 2.840 -2.125 -9.641 343 HG13 ILE 49 1HG1 ILE 49 3.333 -3.736 -9.131 344 HG21 ILE 49 1HG2 ILE 49 1.703 -0.757 -7.524 345 HG22 ILE 49 2HG2 ILE 49 0.192 -1.624 -7.245 346 HG23 ILE 49 3HG2 ILE 49 0.725 -1.290 -8.892 347 HD11 ILE 49 3HD1 ILE 49 2.028 -3.545 -11.293 348 HD12 ILE 49 1HD1 ILE 49 0.623 -3.195 -10.287 349 HD13 ILE 49 2HD1 ILE 49 1.466 -4.736 -10.120 350 H LEU 50 H LEU 50 1.373 -3.836 -4.907 351 HA LEU 50 HA LEU 50 0.714 -1.320 -3.712 352 HB2 LEU 50 2HB LEU 50 -0.900 -3.087 -3.581 353 HB3 LEU 50 1HB LEU 50 0.257 -4.160 -2.823 354 HG LEU 50 HG LEU 50 0.295 -2.592 -0.856 355 HD11 LEU 50 1HD1 LEU 50 -1.522 -1.004 -0.606 356 HD12 LEU 50 2HD1 LEU 50 -2.116 -1.402 -2.219 357 HD13 LEU 50 3HD1 LEU 50 -0.552 -0.611 -2.025 358 HD21 LEU 50 3HD2 LEU 50 -2.480 -3.632 -1.369 359 HD22 LEU 50 1HD2 LEU 50 -1.585 -3.552 0.152 360 HD23 LEU 50 2HD2 LEU 50 -1.112 -4.717 -1.087 361 H HIS 51 H HIS 51 2.647 -4.114 -2.625 362 HA HIS 51 HA HIS 51 3.633 -3.017 -0.276 363 HB2 HIS 51 2HB HIS 51 4.882 -4.971 -2.213 364 HB3 HIS 51 1HB HIS 51 5.639 -4.532 -0.685 365 HD1 HIS 51 1HD HIS 51 5.279 -6.346 0.936 366 HD2 HIS 51 2HD HIS 51 1.938 -5.754 -1.461 367 HE1 HIS 51 1HE HIS 51 3.560 -7.988 1.761 368 HE2 HIS 51 2HE HIS 51 1.574 -7.663 0.246 369 H SER 52 H SER 52 4.378 -2.300 -3.561 370 HA SER 52 HA SER 52 6.860 -0.936 -2.971 371 HB2 SER 52 2HB SER 52 6.576 -2.067 -5.135 372 HB3 SER 52 1HB SER 52 5.218 -1.009 -5.516 373 HG SER 52 HG SER 52 7.761 -0.569 -5.987 374 H MET 53 H MET 53 3.530 -0.048 -3.840 375 HA MET 53 HA MET 53 3.937 2.732 -3.909 376 HB2 MET 53 2HB MET 53 1.648 2.942 -4.094 377 HB3 MET 53 1HB MET 53 1.868 1.280 -4.617 378 HG2 MET 53 2HG MET 53 0.065 1.137 -3.190 379 HG3 MET 53 1HG MET 53 1.413 0.675 -2.158 380 HE1 MET 53 3HE MET 53 0.307 1.212 0.221 381 HE2 MET 53 1HE MET 53 -1.141 1.272 -0.784 382 HE3 MET 53 2HE MET 53 -0.836 2.547 0.396 383 H VAL 54 H VAL 54 3.626 0.470 -1.336 384 HA VAL 54 HA VAL 54 2.791 2.007 0.798 385 HB VAL 54 HB VAL 54 4.825 -0.208 0.719 386 HG11 VAL 54 1HG1 VAL 54 5.209 1.148 2.700 387 HG12 VAL 54 2HG1 VAL 54 4.516 -0.418 3.133 388 HG13 VAL 54 3HG1 VAL 54 3.501 1.024 3.123 389 HG21 VAL 54 3HG2 VAL 54 2.863 -1.424 1.824 390 HG22 VAL 54 1HG2 VAL 54 2.762 -1.096 0.095 391 HG23 VAL 54 2HG2 VAL 54 1.879 -0.084 1.236 392 H GLN 55 H GLN 55 6.095 1.575 -0.420 393 HA GLN 55 HA GLN 55 7.225 3.392 1.471 394 HB2 GLN 55 2HB GLN 55 8.521 2.545 -1.093 395 HB3 GLN 55 1HB GLN 55 9.271 2.939 0.447 396 HG2 GLN 55 2HG GLN 55 8.499 0.899 1.420 397 HG3 GLN 55 1HG GLN 55 7.532 0.532 -0.009 398 HE21 GLN 55 1HE2 GLN 55 8.540 -1.413 -0.395 399 HE22 GLN 55 2HE2 GLN 55 10.166 -1.529 -0.963 400 H LYS 56 H LYS 56 5.466 3.763 -1.358 401 HA LYS 56 HA LYS 56 6.698 6.303 -2.101 402 HB2 LYS 56 2HB LYS 56 4.387 4.795 -3.340 403 HB3 LYS 56 1HB LYS 56 5.111 6.262 -3.984 404 HG2 LYS 56 2HG LYS 56 7.213 5.098 -4.331 405 HG3 LYS 56 1HG LYS 56 6.524 3.625 -3.642 406 HD2 LYS 56 2HD LYS 56 6.406 3.376 -5.993 407 HD3 LYS 56 1HD LYS 56 4.768 3.760 -5.461 408 HE2 LYS 56 2HE LYS 56 5.175 5.080 -7.385 409 HE3 LYS 56 1HE LYS 56 5.283 6.163 -5.997 410 HZ1 LYS 56 3HZ LYS 56 7.697 5.977 -6.094 411 HZ2 LYS 56 1HZ LYS 56 7.074 6.570 -7.552 412 HZ3 LYS 56 2HZ LYS 56 7.583 4.962 -7.442 413 H PHE 57 H PHE 57 4.134 5.044 -0.247 414 HA PHE 57 HA PHE 57 3.111 7.757 0.193 415 HB2 PHE 57 2HB PHE 57 1.545 5.311 -0.534 416 HB3 PHE 57 1HB PHE 57 0.806 6.580 0.439 417 HD1 PHE 57 2HD PHE 57 0.417 8.794 -0.491 418 HD2 PHE 57 1HD PHE 57 2.031 5.648 -2.858 419 HE1 PHE 57 2HE PHE 57 -0.093 10.073 -2.530 420 HE2 PHE 57 1HE PHE 57 1.524 6.922 -4.901 421 HZ PHE 57 HZ PHE 57 0.459 9.136 -4.738 422 HA PRO 58 HA PRO 58 4.307 5.393 4.144 423 HB2 PRO 58 2HB PRO 58 5.337 7.760 5.217 424 HB3 PRO 58 1HB PRO 58 6.287 6.462 4.489 425 HG2 PRO 58 2HG PRO 58 5.324 9.019 3.278 426 HG3 PRO 58 1HG PRO 58 6.881 8.193 3.067 427 HD2 PRO 58 2HD PRO 58 5.022 8.046 1.173 428 HD3 PRO 58 1HD PRO 58 5.977 6.612 1.599 429 H GLY 59 H GLY 59 3.101 8.715 3.670 430 HA2 GLY 59 2HA GLY 59 1.743 9.006 6.088 431 HA3 GLY 59 1HA GLY 59 1.307 9.818 4.590 432 H VAL 60 H VAL 60 0.665 7.612 3.032 433 HA VAL 60 HA VAL 60 -2.008 7.107 3.799 434 HB VAL 60 HB VAL 60 -0.210 5.969 1.666 435 HG11 VAL 60 1HG1 VAL 60 -3.085 5.182 2.159 436 HG12 VAL 60 2HG1 VAL 60 -1.678 4.140 2.376 437 HG13 VAL 60 3HG1 VAL 60 -2.107 4.718 0.766 438 HG21 VAL 60 3HG2 VAL 60 -1.018 8.188 1.254 439 HG22 VAL 60 1HG2 VAL 60 -2.673 7.709 1.641 440 HG23 VAL 60 2HG2 VAL 60 -1.886 7.076 0.194 441 H SER 61 H SER 61 -2.974 5.239 4.624 442 HA SER 61 HA SER 61 -1.241 3.617 6.270 443 HB2 SER 61 2HB SER 61 -3.391 4.418 7.154 444 HB3 SER 61 1HB SER 61 -4.240 3.497 5.915 445 HG SER 61 HG SER 61 -4.069 2.433 7.989 446 H PHE 62 H PHE 62 -0.078 2.268 5.009 447 HA PHE 62 HA PHE 62 -1.045 0.819 2.808 448 HB2 PHE 62 2HB PHE 62 0.984 -0.709 3.403 449 HB3 PHE 62 1HB PHE 62 1.275 0.954 2.892 450 HD1 PHE 62 1HD PHE 62 1.192 -1.314 5.794 451 HD2 PHE 62 2HD PHE 62 2.224 2.561 4.371 452 HE1 PHE 62 1HE PHE 62 2.441 -0.888 7.870 453 HE2 PHE 62 2HE PHE 62 3.475 2.993 6.444 454 HZ PHE 62 HZ PHE 62 3.585 1.266 8.197 455 H GLY 63 H GLY 63 -2.219 -0.977 2.657 456 HA2 GLY 63 2HA GLY 63 -2.313 -2.842 4.903 457 HA3 GLY 63 1HA GLY 63 -3.829 -2.099 4.415 458 H ILE 64 H ILE 64 -3.410 -4.853 4.375 459 HA ILE 64 HA ILE 64 -4.083 -5.413 1.646 460 HB ILE 64 HB ILE 64 -1.466 -5.456 1.925 461 HG12 ILE 64 2HG1 ILE 64 -2.964 -7.672 0.522 462 HG13 ILE 64 1HG1 ILE 64 -2.710 -6.051 -0.110 463 HG21 ILE 64 1HG2 ILE 64 -2.217 -8.200 2.908 464 HG22 ILE 64 2HG2 ILE 64 -1.394 -6.950 3.836 465 HG23 ILE 64 3HG2 ILE 64 -0.599 -7.684 2.444 466 HD11 ILE 64 3HD1 ILE 64 -0.292 -6.447 -0.111 467 HD12 ILE 64 1HD1 ILE 64 -1.161 -7.609 -1.116 468 HD13 ILE 64 2HD1 ILE 64 -0.573 -8.088 0.476 469 H SER 65 H SER 65 -5.243 -7.322 1.450 470 HA SER 65 HA SER 65 -5.367 -9.133 3.719 471 HB2 SER 65 2HB SER 65 -6.984 -7.474 4.411 472 HB3 SER 65 1HB SER 65 -7.758 -7.514 2.828 473 HG SER 65 HG SER 65 -7.580 -9.965 4.052 474 H THR 66 H THR 66 -6.602 -11.055 3.314 475 HA THR 66 HA THR 66 -7.272 -11.573 0.509 476 HB THR 66 HB THR 66 -6.127 -13.747 0.567 477 HG1 THR 66 1HG THR 66 -5.754 -14.407 2.561 478 HG21 THR 66 3HG2 THR 66 -3.899 -12.952 0.259 479 HG22 THR 66 1HG2 THR 66 -4.196 -11.551 1.288 480 HG23 THR 66 2HG2 THR 66 -4.992 -11.678 -0.279 481 H ASP 67 H ASP 67 -8.150 -11.622 3.665 482 HA ASP 67 HA ASP 67 -9.462 -14.087 3.997 483 HB2 ASP 67 2HB ASP 67 -8.960 -12.472 5.831 484 HB3 ASP 67 1HB ASP 67 -10.226 -11.420 5.204 485 H SER 68 H SER 68 -11.559 -14.737 3.614 486 HA SER 68 HA SER 68 -12.824 -13.642 1.332 487 HB2 SER 68 2HB SER 68 -13.880 -15.639 3.349 488 HB3 SER 68 1HB SER 68 -14.593 -15.307 1.769 489 HG SER 68 HG SER 68 -13.034 -17.157 2.033 490 H GLU 69 H GLU 69 -13.822 -13.730 4.756 491 HA GLU 69 HA GLU 69 -16.200 -12.366 4.581 492 HB2 GLU 69 2HB GLU 69 -14.151 -12.157 6.782 493 HB3 GLU 69 1HB GLU 69 -15.829 -11.654 6.904 494 HG2 GLU 69 2HG GLU 69 -15.753 -13.748 7.932 495 HG3 GLU 69 1HG GLU 69 -16.436 -14.050 6.335 496 H VAL 70 H VAL 70 -12.941 -11.000 4.731 497 HA VAL 70 HA VAL 70 -13.858 -8.306 4.848 498 HB VAL 70 HB VAL 70 -11.162 -9.468 4.151 499 HG11 VAL 70 1HG1 VAL 70 -11.358 -7.364 2.980 500 HG12 VAL 70 2HG1 VAL 70 -10.279 -7.170 4.364 501 HG13 VAL 70 3HG1 VAL 70 -11.936 -6.569 4.446 502 HG21 VAL 70 3HG2 VAL 70 -11.559 -9.784 6.437 503 HG22 VAL 70 1HG2 VAL 70 -12.343 -8.214 6.602 504 HG23 VAL 70 2HG2 VAL 70 -10.600 -8.303 6.357 505 H LEU 71 H LEU 71 -12.348 -10.211 2.243 506 HA LEU 71 HA LEU 71 -12.653 -8.325 0.209 507 HB2 LEU 71 2HB LEU 71 -12.314 -11.288 0.281 508 HB3 LEU 71 1HB LEU 71 -12.754 -10.532 -1.240 509 HG LEU 71 HG LEU 71 -10.746 -9.271 -1.315 510 HD11 LEU 71 1HD1 LEU 71 -10.583 -8.547 0.965 511 HD12 LEU 71 2HD1 LEU 71 -9.078 -9.346 0.511 512 HD13 LEU 71 3HD1 LEU 71 -10.258 -10.192 1.510 513 HD21 LEU 71 3HD2 LEU 71 -10.437 -11.535 -2.032 514 HD22 LEU 71 1HD2 LEU 71 -10.201 -12.078 -0.370 515 HD23 LEU 71 2HD2 LEU 71 -9.002 -11.034 -1.136 516 H THR 72 H THR 72 -14.979 -10.121 1.874 517 HA THR 72 HA THR 72 -16.971 -9.989 -0.252 518 HB THR 72 HB THR 72 -17.154 -11.043 2.580 519 HG1 THR 72 1HG THR 72 -16.597 -12.175 0.078 520 HG21 THR 72 3HG2 THR 72 -19.171 -11.033 0.331 521 HG22 THR 72 1HG2 THR 72 -19.335 -10.283 1.918 522 HG23 THR 72 2HG2 THR 72 -19.309 -12.041 1.773 523 H HIS 73 H HIS 73 -16.263 -8.611 2.918 524 HA HIS 73 HA HIS 73 -18.605 -7.092 3.216 525 HB2 HIS 73 2HB HIS 73 -16.955 -7.564 5.030 526 HB3 HIS 73 1HB HIS 73 -15.843 -6.433 4.267 527 HD1 HIS 73 1HD HIS 73 -18.796 -6.607 6.478 528 HD2 HIS 73 2HD HIS 73 -16.658 -3.696 4.427 529 HE1 HIS 73 1HE HIS 73 -19.538 -4.415 7.458 530 HE2 HIS 73 2HE HIS 73 -18.295 -2.663 6.142 531 H TYR 74 H TYR 74 -15.582 -6.482 1.541 532 HA TYR 74 HA TYR 74 -16.465 -3.794 0.804 533 HB2 TYR 74 2HB TYR 74 -13.852 -5.257 0.422 534 HB3 TYR 74 1HB TYR 74 -14.179 -3.682 -0.293 535 HD1 TYR 74 2HD TYR 74 -14.313 -1.690 1.097 536 HD2 TYR 74 1HD TYR 74 -13.512 -5.499 2.813 537 HE1 TYR 74 2HE TYR 74 -13.582 -0.594 3.173 538 HE2 TYR 74 1HE TYR 74 -12.779 -4.413 4.895 539 HH TYR 74 HH TYR 74 -11.893 -2.209 5.607 540 H ASN 75 H ASN 75 -17.298 -6.648 -0.223 541 HA ASN 75 HA ASN 75 -18.120 -7.527 -2.148 542 HB2 ASN 75 2HB ASN 75 -19.147 -5.171 -2.098 543 HB3 ASN 75 1HB ASN 75 -17.984 -4.783 -3.360 544 HD21 ASN 75 1HD2 ASN 75 -18.213 -5.686 -5.392 545 HD22 ASN 75 2HD2 ASN 75 -19.661 -6.483 -5.894 546 H ILE 76 H ILE 76 -15.165 -7.148 -1.791 547 HA ILE 76 HA ILE 76 -13.916 -6.562 -4.233 548 HB ILE 76 HB ILE 76 -12.950 -8.531 -2.156 549 HG12 ILE 76 2HG1 ILE 76 -13.536 -6.428 -1.085 550 HG13 ILE 76 1HG1 ILE 76 -11.791 -6.608 -1.138 551 HG21 ILE 76 1HG2 ILE 76 -11.531 -8.776 -3.963 552 HG22 ILE 76 2HG2 ILE 76 -10.706 -7.552 -2.995 553 HG23 ILE 76 3HG2 ILE 76 -11.641 -7.076 -4.412 554 HD11 ILE 76 3HD1 ILE 76 -12.569 -4.323 -1.641 555 HD12 ILE 76 1HD1 ILE 76 -13.392 -4.948 -3.070 556 HD13 ILE 76 2HD1 ILE 76 -11.635 -5.042 -2.951 557 H THR 77 H THR 77 -13.888 -7.607 -6.110 558 HA THR 77 HA THR 77 -14.130 -10.519 -6.162 559 HB THR 77 HB THR 77 -15.782 -10.415 -8.022 560 HG1 THR 77 1HG THR 77 -15.295 -7.784 -7.807 561 HG21 THR 77 3HG2 THR 77 -17.738 -9.964 -6.620 562 HG22 THR 77 1HG2 THR 77 -16.703 -9.175 -5.428 563 HG23 THR 77 2HG2 THR 77 -16.524 -10.901 -5.749 564 H GLY 78 H GLY 78 -11.764 -9.595 -6.571 565 HA2 GLY 78 2HA GLY 78 -10.761 -10.444 -8.885 566 HA3 GLY 78 1HA GLY 78 -11.349 -8.858 -9.362 567 H ASN 79 H ASN 79 -9.790 -9.901 -6.341 568 HA ASN 79 HA ASN 79 -8.001 -9.053 -5.211 569 HB2 ASN 79 2HB ASN 79 -6.898 -8.805 -8.013 570 HB3 ASN 79 1HB ASN 79 -5.948 -8.804 -6.533 571 HD21 ASN 79 1HD2 ASN 79 -7.874 -10.721 -8.704 572 HD22 ASN 79 2HD2 ASN 79 -7.355 -12.262 -8.122 573 H THR 80 H THR 80 -9.971 -7.218 -5.551 574 HA THR 80 HA THR 80 -9.159 -4.773 -6.732 575 HB THR 80 HB THR 80 -11.243 -5.347 -4.616 576 HG1 THR 80 1HG THR 80 -11.425 -6.316 -6.803 577 HG21 THR 80 3HG2 THR 80 -10.927 -2.901 -6.356 578 HG22 THR 80 1HG2 THR 80 -10.615 -2.974 -4.623 579 HG23 THR 80 2HG2 THR 80 -12.250 -3.215 -5.235 580 H ILE 81 H ILE 81 -8.569 -2.826 -5.742 581 HA ILE 81 HA ILE 81 -7.349 -3.031 -3.063 582 HB ILE 81 HB ILE 81 -6.454 -1.404 -5.451 583 HG12 ILE 81 2HG1 ILE 81 -5.093 -3.585 -3.858 584 HG13 ILE 81 1HG1 ILE 81 -5.743 -3.744 -5.485 585 HG21 ILE 81 1HG2 ILE 81 -6.295 -0.070 -3.403 586 HG22 ILE 81 2HG2 ILE 81 -4.701 -0.491 -4.028 587 HG23 ILE 81 3HG2 ILE 81 -5.359 -1.357 -2.640 588 HD11 ILE 81 3HD1 ILE 81 -3.405 -2.073 -4.612 589 HD12 ILE 81 1HD1 ILE 81 -4.114 -2.024 -6.229 590 HD13 ILE 81 2HD1 ILE 81 -3.379 -3.514 -5.630 591 H CYS 82 H CYS 82 -8.486 -1.871 -1.616 592 HA CYS 82 HA CYS 82 -10.099 0.347 -2.640 593 HB2 CYS 82 2HB CYS 82 -10.352 -1.241 -0.098 594 HB3 CYS 82 1HB CYS 82 -11.369 0.135 -0.509 595 HG CYS 82 HG CYS 82 -13.150 -1.367 -1.575 596 H LEU 83 H LEU 83 -9.821 2.375 -2.062 597 HA LEU 83 HA LEU 83 -7.807 2.998 -0.018 598 HB2 LEU 83 2HB LEU 83 -7.042 3.974 -1.972 599 HB3 LEU 83 1HB LEU 83 -8.652 4.328 -2.556 600 HG LEU 83 HG LEU 83 -8.855 6.217 -1.079 601 HD11 LEU 83 1HD1 LEU 83 -7.299 6.865 0.545 602 HD12 LEU 83 2HD1 LEU 83 -6.083 5.727 -0.041 603 HD13 LEU 83 3HD1 LEU 83 -7.519 5.132 0.791 604 HD21 LEU 83 3HD2 LEU 83 -6.928 7.596 -1.877 605 HD22 LEU 83 1HD2 LEU 83 -7.788 6.717 -3.144 606 HD23 LEU 83 2HD2 LEU 83 -6.236 6.122 -2.554 607 H PHE 84 H PHE 84 -8.935 3.207 1.856 608 HA PHE 84 HA PHE 84 -11.439 4.704 1.850 609 HB2 PHE 84 2HB PHE 84 -10.777 2.444 3.172 610 HB3 PHE 84 1HB PHE 84 -10.367 3.643 4.393 611 HD1 PHE 84 2HD PHE 84 -12.139 5.289 5.107 612 HD2 PHE 84 1HD PHE 84 -12.996 1.830 2.784 613 HE1 PHE 84 2HE PHE 84 -14.509 5.456 5.741 614 HE2 PHE 84 1HE PHE 84 -15.369 1.990 3.411 615 HZ PHE 84 HZ PHE 84 -16.129 3.805 4.893 616 H ARG 85 H ARG 85 -11.481 6.801 2.326 617 HA ARG 85 HA ARG 85 -9.152 7.957 3.715 618 HB2 ARG 85 2HB ARG 85 -11.064 9.789 2.412 619 HB3 ARG 85 1HB ARG 85 -9.306 9.798 2.410 620 HG2 ARG 85 2HG ARG 85 -9.295 8.012 0.744 621 HG3 ARG 85 1HG ARG 85 -11.066 8.032 0.728 622 HD2 ARG 85 2HD ARG 85 -9.191 10.228 -0.131 623 HD3 ARG 85 1HD ARG 85 -10.306 9.306 -1.141 624 HE ARG 85 HE ARG 85 -11.673 10.708 0.928 625 HH11 ARG 85 1HH1 ARG 85 -10.174 11.088 -2.193 626 HH12 ARG 85 2HH1 ARG 85 -11.127 12.468 -2.628 627 HH21 ARG 85 1HH2 ARG 85 -12.934 12.530 0.366 628 HH22 ARG 85 2HH2 ARG 85 -12.694 13.289 -1.173 629 H LEU 86 H LEU 86 -9.959 7.348 5.764 630 HA LEU 86 HA LEU 86 -12.179 7.513 7.114 631 HB2 LEU 86 2HB LEU 86 -10.407 7.130 8.490 632 HB3 LEU 86 1HB LEU 86 -9.459 8.442 7.823 633 HG LEU 86 HG LEU 86 -10.936 10.044 9.069 634 HD11 LEU 86 1HD1 LEU 86 -12.245 9.143 10.943 635 HD12 LEU 86 2HD1 LEU 86 -11.924 7.507 10.364 636 HD13 LEU 86 3HD1 LEU 86 -12.874 8.621 9.379 637 HD21 LEU 86 3HD2 LEU 86 -9.366 8.015 10.648 638 HD22 LEU 86 1HD2 LEU 86 -9.894 9.582 11.262 639 HD23 LEU 86 2HD2 LEU 86 -8.757 9.502 9.916 640 H VAL 87 H VAL 87 -10.331 10.552 6.785 641 HA VAL 87 HA VAL 87 -11.943 12.355 7.928 642 HB VAL 87 HB VAL 87 -11.361 13.829 5.763 643 HG11 VAL 87 1HG1 VAL 87 -9.434 12.936 7.905 644 HG12 VAL 87 2HG1 VAL 87 -10.567 14.284 7.998 645 HG13 VAL 87 3HG1 VAL 87 -9.214 14.348 6.870 646 HG21 VAL 87 3HG2 VAL 87 -9.401 11.538 5.724 647 HG22 VAL 87 1HG2 VAL 87 -9.249 13.038 4.805 648 HG23 VAL 87 2HG2 VAL 87 -10.579 11.930 4.466 649 H ASP 88 H ASP 88 -12.376 11.384 4.519 650 HA ASP 88 HA ASP 88 -15.068 12.534 4.635 651 HB2 ASP 88 2HB ASP 88 -13.271 11.866 2.305 652 HB3 ASP 88 1HB ASP 88 -14.959 12.338 2.114 653 H ASN 89 H ASN 89 -13.710 9.691 5.216 654 HA ASN 89 HA ASN 89 -14.328 7.508 5.172 655 HB2 ASN 89 2HB ASN 89 -16.182 8.542 6.458 656 HB3 ASN 89 1HB ASN 89 -17.111 8.661 4.970 657 HD21 ASN 89 1HD2 ASN 89 -15.758 6.505 7.346 658 HD22 ASN 89 2HD2 ASN 89 -16.717 5.128 6.933 659 H GLU 90 H GLU 90 -13.743 8.719 2.587 660 HA GLU 90 HA GLU 90 -15.606 7.630 0.687 661 HB2 GLU 90 2HB GLU 90 -12.786 8.618 0.237 662 HB3 GLU 90 1HB GLU 90 -13.999 8.333 -1.004 663 HG2 GLU 90 2HG GLU 90 -14.221 10.357 1.199 664 HG3 GLU 90 1HG GLU 90 -13.718 10.707 -0.451 665 H GLN 91 H GLN 91 -15.053 5.983 -0.888 666 HA GLN 91 HA GLN 91 -12.951 4.127 -0.061 667 HB2 GLN 91 2HB GLN 91 -15.107 3.424 0.996 668 HB3 GLN 91 1HB GLN 91 -15.784 3.233 -0.615 669 HG2 GLN 91 2HG GLN 91 -13.275 1.793 0.087 670 HG3 GLN 91 1HG GLN 91 -14.819 1.187 0.686 671 HE21 GLN 91 1HE2 GLN 91 -16.342 0.412 -0.778 672 HE22 GLN 91 2HE2 GLN 91 -15.923 -0.012 -2.400 673 H LEU 92 H LEU 92 -11.743 4.499 -1.861 674 HA LEU 92 HA LEU 92 -12.923 4.380 -4.499 675 HB2 LEU 92 2HB LEU 92 -10.032 4.588 -3.650 676 HB3 LEU 92 1HB LEU 92 -10.614 4.730 -5.295 677 HG LEU 92 HG LEU 92 -10.158 6.929 -4.512 678 HD11 LEU 92 1HD1 LEU 92 -12.162 6.772 -5.849 679 HD12 LEU 92 2HD1 LEU 92 -12.360 8.011 -4.608 680 HD13 LEU 92 3HD1 LEU 92 -13.127 6.435 -4.412 681 HD21 LEU 92 3HD2 LEU 92 -10.940 7.875 -2.494 682 HD22 LEU 92 1HD2 LEU 92 -10.262 6.302 -2.079 683 HD23 LEU 92 2HD2 LEU 92 -12.011 6.508 -2.183 684 H ASN 93 H ASN 93 -13.397 2.445 -5.350 685 HA ASN 93 HA ASN 93 -11.867 0.130 -4.455 686 HB2 ASN 93 2HB ASN 93 -13.739 -1.060 -5.877 687 HB3 ASN 93 1HB ASN 93 -14.080 -0.451 -4.262 688 HD21 ASN 93 1HD2 ASN 93 -13.669 1.593 -7.074 689 HD22 ASN 93 2HD2 ASN 93 -15.310 2.121 -7.165 690 H LEU 94 H LEU 94 -10.001 0.136 -5.592 691 HA LEU 94 HA LEU 94 -9.963 0.367 -8.472 692 HB2 LEU 94 2HB LEU 94 -8.121 1.059 -6.765 693 HB3 LEU 94 1HB LEU 94 -7.699 -0.642 -6.761 694 HG LEU 94 HG LEU 94 -7.870 0.672 -9.409 695 HD11 LEU 94 1HD1 LEU 94 -6.734 2.395 -8.150 696 HD12 LEU 94 2HD1 LEU 94 -5.571 1.541 -9.164 697 HD13 LEU 94 3HD1 LEU 94 -5.651 1.200 -7.436 698 HD21 LEU 94 3HD2 LEU 94 -5.914 -1.244 -8.145 699 HD22 LEU 94 1HD2 LEU 94 -5.987 -0.790 -9.848 700 HD23 LEU 94 2HD2 LEU 94 -7.309 -1.701 -9.121 701 H GLU 95 H GLU 95 -11.463 -1.349 -8.889 702 HA GLU 95 HA GLU 95 -10.859 -4.035 -8.058 703 HB2 GLU 95 2HB GLU 95 -12.936 -3.110 -10.035 704 HB3 GLU 95 1HB GLU 95 -12.881 -4.656 -9.195 705 HG2 GLU 95 2HG GLU 95 -13.314 -3.613 -7.098 706 HG3 GLU 95 1HG GLU 95 -13.156 -2.005 -7.805 707 H ASP 96 H ASP 96 -11.652 -5.516 -10.220 708 HA ASP 96 HA ASP 96 -9.295 -6.124 -11.500 709 HB2 ASP 96 2HB ASP 96 -11.171 -7.660 -11.444 710 HB3 ASP 96 1HB ASP 96 -12.118 -6.589 -12.473 711 H GLU 97 H GLU 97 -11.804 -3.873 -12.559 712 HA GLU 97 HA GLU 97 -10.963 -3.445 -15.175 713 HB2 GLU 97 2HB GLU 97 -12.099 -1.401 -13.253 714 HB3 GLU 97 1HB GLU 97 -12.058 -1.253 -15.005 715 HG2 GLU 97 2HG GLU 97 -13.571 -3.334 -13.444 716 HG3 GLU 97 1HG GLU 97 -14.262 -1.907 -14.216 717 H ASP 98 H ASP 98 -9.377 -2.779 -12.285 718 HA ASP 98 HA ASP 98 -7.367 -1.164 -13.684 719 HB2 ASP 98 2HB ASP 98 -8.443 -0.739 -10.887 720 HB3 ASP 98 1HB ASP 98 -6.997 0.051 -11.516 721 H ILE 99 H ILE 99 -8.056 -3.900 -11.787 722 HA ILE 99 HA ILE 99 -5.377 -4.155 -10.682 723 HB ILE 99 HB ILE 99 -7.817 -5.924 -10.478 724 HG12 ILE 99 2HG1 ILE 99 -7.785 -3.750 -9.241 725 HG13 ILE 99 1HG1 ILE 99 -7.955 -5.170 -8.217 726 HG21 ILE 99 1HG2 ILE 99 -5.954 -7.407 -10.387 727 HG22 ILE 99 2HG2 ILE 99 -6.508 -7.153 -8.732 728 HG23 ILE 99 3HG2 ILE 99 -5.068 -6.322 -9.315 729 HD11 ILE 99 3HD1 ILE 99 -5.558 -5.030 -7.684 730 HD12 ILE 99 1HD1 ILE 99 -6.460 -3.593 -7.201 731 HD13 ILE 99 2HD1 ILE 99 -5.456 -3.556 -8.651 732 H GLU 100 H GLU 100 -7.284 -5.387 -13.329 733 HA GLU 100 HA GLU 100 -5.941 -7.713 -13.988 734 HB2 GLU 100 2HB GLU 100 -7.990 -6.944 -15.114 735 HB3 GLU 100 1HB GLU 100 -7.083 -5.651 -15.885 736 HG2 GLU 100 2HG GLU 100 -5.733 -7.307 -17.072 737 HG3 GLU 100 1HG GLU 100 -6.649 -8.601 -16.302 738 H SER 101 H SER 101 -5.241 -4.415 -15.134 739 HA SER 101 HA SER 101 -2.517 -5.322 -15.799 740 HB2 SER 101 2HB SER 101 -4.129 -3.107 -17.088 741 HB3 SER 101 1HB SER 101 -2.467 -3.526 -17.497 742 HG SER 101 HG SER 101 -4.217 -5.645 -17.557 743 H ILE 102 H ILE 102 -3.298 -4.487 -13.214 744 HA ILE 102 HA ILE 102 -2.819 -1.786 -12.661 745 HB ILE 102 HB ILE 102 -3.830 -3.325 -11.037 746 HG12 ILE 102 2HG1 ILE 102 -2.439 -2.578 -9.037 747 HG13 ILE 102 1HG1 ILE 102 -1.320 -1.871 -10.197 748 HG21 ILE 102 1HG2 ILE 102 -2.290 -4.785 -9.700 749 HG22 ILE 102 2HG2 ILE 102 -1.051 -4.499 -10.923 750 HG23 ILE 102 3HG2 ILE 102 -2.553 -5.315 -11.360 751 HD11 ILE 102 3HD1 ILE 102 -2.849 -0.210 -9.307 752 HD12 ILE 102 1HD1 ILE 102 -4.220 -1.148 -9.895 753 HD13 ILE 102 2HD1 ILE 102 -3.087 -0.431 -11.039 754 H ASP 103 H ASP 103 -1.019 -0.683 -11.954 755 HA ASP 103 HA ASP 103 1.572 -2.024 -12.068 756 HB2 ASP 103 2HB ASP 103 0.896 -0.799 -14.268 757 HB3 ASP 103 1HB ASP 103 1.314 0.649 -13.360 758 H ALA 104 H ALA 104 3.297 -0.675 -11.068 759 HA ALA 104 HA ALA 104 2.464 0.297 -8.580 760 HB1 ALA 104 1HB ALA 104 4.779 1.148 -8.349 761 HB2 ALA 104 2HB ALA 104 5.065 0.711 -10.034 762 HB3 ALA 104 3HB ALA 104 4.680 -0.540 -8.849 763 H THR 105 H THR 105 3.082 1.894 -11.625 764 HA THR 105 HA THR 105 2.992 4.561 -10.708 765 HB THR 105 HB THR 105 2.273 3.435 -13.419 766 HG1 THR 105 1HG THR 105 4.557 3.387 -12.350 767 HG21 THR 105 3HG2 THR 105 1.277 5.592 -13.206 768 HG22 THR 105 1HG2 THR 105 2.730 5.768 -14.190 769 HG23 THR 105 2HG2 THR 105 2.747 6.262 -12.495 770 H LYS 106 H LYS 106 0.515 2.404 -12.039 771 HA LYS 106 HA LYS 106 -1.622 4.211 -12.015 772 HB2 LYS 106 2HB LYS 106 -1.737 1.211 -11.619 773 HB3 LYS 106 1HB LYS 106 -3.061 2.245 -12.144 774 HG2 LYS 106 2HG LYS 106 -1.915 2.751 -14.198 775 HG3 LYS 106 1HG LYS 106 -0.493 1.854 -13.665 776 HD2 LYS 106 2HD LYS 106 -1.690 0.434 -15.152 777 HD3 LYS 106 1HD LYS 106 -1.969 -0.183 -13.523 778 HE2 LYS 106 2HE LYS 106 -4.051 -0.196 -14.727 779 HE3 LYS 106 1HE LYS 106 -4.121 1.044 -13.476 780 HZ1 LYS 106 3HZ LYS 106 -5.028 1.848 -15.561 781 HZ2 LYS 106 1HZ LYS 106 -3.571 1.519 -16.357 782 HZ3 LYS 106 2HZ LYS 106 -3.630 2.711 -15.160 783 H LEU 107 H LEU 107 -0.858 1.662 -9.612 784 HA LEU 107 HA LEU 107 -2.808 2.278 -7.756 785 HB2 LEU 107 2HB LEU 107 -0.606 0.590 -7.844 786 HB3 LEU 107 1HB LEU 107 -0.253 1.647 -6.495 787 HG LEU 107 HG LEU 107 -2.498 -0.319 -6.806 788 HD11 LEU 107 1HD1 LEU 107 -1.732 -0.873 -4.469 789 HD12 LEU 107 2HD1 LEU 107 -0.381 0.231 -4.738 790 HD13 LEU 107 3HD1 LEU 107 -0.568 -1.199 -5.754 791 HD21 LEU 107 3HD2 LEU 107 -2.426 1.960 -4.828 792 HD22 LEU 107 1HD2 LEU 107 -3.562 0.610 -4.802 793 HD23 LEU 107 2HD2 LEU 107 -3.587 1.760 -6.140 794 H SER 108 H SER 108 0.550 3.469 -7.819 795 HA SER 108 HA SER 108 0.328 5.269 -5.691 796 HB2 SER 108 2HB SER 108 2.115 5.409 -8.129 797 HB3 SER 108 1HB SER 108 2.338 6.348 -6.653 798 HG SER 108 HG SER 108 2.135 3.563 -6.463 799 H ARG 109 H ARG 109 -0.627 5.528 -9.026 800 HA ARG 109 HA ARG 109 -0.930 8.350 -9.071 801 HB2 ARG 109 2HB ARG 109 -0.661 6.907 -11.101 802 HB3 ARG 109 1HB ARG 109 -2.281 6.295 -10.824 803 HG2 ARG 109 2HG ARG 109 -1.803 9.229 -11.131 804 HG3 ARG 109 1HG ARG 109 -1.930 8.177 -12.542 805 HD2 ARG 109 2HD ARG 109 -4.116 7.369 -11.629 806 HD3 ARG 109 1HD ARG 109 -3.995 8.626 -10.392 807 HE ARG 109 HE ARG 109 -3.709 10.013 -12.692 808 HH11 ARG 109 1HH1 ARG 109 -6.076 7.697 -11.604 809 HH12 ARG 109 2HH1 ARG 109 -7.368 8.392 -12.528 810 HH21 ARG 109 1HH2 ARG 109 -5.406 10.934 -13.906 811 HH22 ARG 109 2HH2 ARG 109 -6.985 10.231 -13.835 812 H PHE 110 H PHE 110 -3.418 5.810 -9.251 813 HA PHE 110 HA PHE 110 -5.659 7.255 -8.760 814 HB2 PHE 110 2HB PHE 110 -4.887 4.476 -7.926 815 HB3 PHE 110 1HB PHE 110 -6.437 5.147 -7.423 816 HD1 PHE 110 1HD PHE 110 -8.139 5.724 -9.089 817 HD2 PHE 110 2HD PHE 110 -4.493 3.825 -10.187 818 HE1 PHE 110 1HE PHE 110 -9.120 5.107 -11.258 819 HE2 PHE 110 2HE PHE 110 -5.467 3.203 -12.360 820 HZ PHE 110 HZ PHE 110 -7.783 3.845 -12.898 821 H ILE 111 H ILE 111 -3.395 6.021 -6.330 822 HA ILE 111 HA ILE 111 -4.772 6.984 -4.069 823 HB ILE 111 HB ILE 111 -1.817 6.497 -4.481 824 HG12 ILE 111 2HG1 ILE 111 -3.807 4.829 -2.947 825 HG13 ILE 111 1HG1 ILE 111 -3.485 4.574 -4.655 826 HG21 ILE 111 1HG2 ILE 111 -3.346 6.994 -1.934 827 HG22 ILE 111 2HG2 ILE 111 -2.149 8.068 -2.661 828 HG23 ILE 111 3HG2 ILE 111 -1.658 6.494 -2.031 829 HD11 ILE 111 3HD1 ILE 111 -1.169 4.081 -4.178 830 HD12 ILE 111 1HD1 ILE 111 -2.231 3.043 -3.225 831 HD13 ILE 111 2HD1 ILE 111 -1.432 4.421 -2.467 832 H GLU 112 H GLU 112 -1.995 8.340 -5.837 833 HA GLU 112 HA GLU 112 -1.798 10.757 -4.496 834 HB2 GLU 112 2HB GLU 112 -0.203 9.847 -6.228 835 HB3 GLU 112 1HB GLU 112 -1.349 10.366 -7.459 836 HG2 GLU 112 2HG GLU 112 -1.097 12.676 -6.737 837 HG3 GLU 112 1HG GLU 112 0.023 12.169 -5.474 838 H ILE 113 H ILE 113 -4.225 9.603 -6.565 839 HA ILE 113 HA ILE 113 -5.208 12.221 -7.322 840 HB ILE 113 HB ILE 113 -5.652 9.460 -8.201 841 HG12 ILE 113 2HG1 ILE 113 -5.874 10.556 -10.379 842 HG13 ILE 113 1HG1 ILE 113 -5.916 12.131 -9.591 843 HG21 ILE 113 1HG2 ILE 113 -7.877 9.933 -9.169 844 HG22 ILE 113 2HG2 ILE 113 -7.962 11.383 -8.170 845 HG23 ILE 113 3HG2 ILE 113 -7.876 9.792 -7.414 846 HD11 ILE 113 3HD1 ILE 113 -3.734 11.635 -10.573 847 HD12 ILE 113 1HD1 ILE 113 -3.593 10.219 -9.532 848 HD13 ILE 113 2HD1 ILE 113 -3.639 11.834 -8.824 849 H ASN 114 H ASN 114 -6.073 9.584 -5.128 850 HA ASN 114 HA ASN 114 -8.183 11.338 -4.048 851 HB2 ASN 114 2HB ASN 114 -8.268 8.329 -4.314 852 HB3 ASN 114 1HB ASN 114 -9.454 9.294 -3.434 853 HD21 ASN 114 1HD2 ASN 114 -9.658 7.566 -5.848 854 HD22 ASN 114 2HD2 ASN 114 -10.395 8.565 -7.047 855 H SER 115 H SER 115 -5.375 11.034 -3.198 856 HA SER 115 HA SER 115 -5.518 9.632 -0.674 857 HB2 SER 115 2HB SER 115 -3.206 10.381 -0.360 858 HB3 SER 115 1HB SER 115 -3.414 9.703 -1.976 859 HG SER 115 HG SER 115 -3.915 12.379 -1.894 860 H LEU 116 H LEU 116 -7.532 11.337 -0.593 861 HA LEU 116 HA LEU 116 -6.670 13.765 0.783 862 HB2 LEU 116 2HB LEU 116 -9.426 12.896 -0.072 863 HB3 LEU 116 1HB LEU 116 -9.001 14.461 0.600 864 HG LEU 116 HG LEU 116 -8.058 13.362 -2.049 865 HD11 LEU 116 1HD1 LEU 116 -9.453 15.133 -3.008 866 HD12 LEU 116 2HD1 LEU 116 -10.019 15.556 -1.392 867 HD13 LEU 116 3HD1 LEU 116 -10.409 13.980 -2.079 868 HD21 LEU 116 3HD2 LEU 116 -6.371 14.788 -1.023 869 HD22 LEU 116 1HD2 LEU 116 -7.578 16.047 -0.756 870 HD23 LEU 116 2HD2 LEU 116 -7.120 15.598 -2.399 Start of MODEL 16 1 H GLU 1 H GLU 1 22.386 -11.963 2.879 2 HA GLU 1 HA GLU 1 19.764 -10.908 2.684 3 HB2 GLU 1 2HB GLU 1 21.452 -10.548 0.210 4 HB3 GLU 1 1HB GLU 1 19.699 -10.646 0.145 5 HG2 GLU 1 2HG GLU 1 20.327 -8.349 0.120 6 HG3 GLU 1 1HG GLU 1 19.588 -8.701 1.681 7 H VAL 2 H VAL 2 22.222 -13.090 1.547 8 HA VAL 2 HA VAL 2 20.351 -14.961 0.394 9 HB VAL 2 HB VAL 2 22.639 -14.753 -0.503 10 HG11 VAL 2 1HG1 VAL 2 24.536 -15.674 0.734 11 HG12 VAL 2 2HG1 VAL 2 23.495 -15.955 2.129 12 HG13 VAL 2 3HG1 VAL 2 23.817 -14.309 1.588 13 HG21 VAL 2 3HG2 VAL 2 23.118 -17.146 -0.682 14 HG22 VAL 2 1HG2 VAL 2 21.391 -16.824 -0.839 15 HG23 VAL 2 2HG2 VAL 2 22.034 -17.466 0.672 16 H GLU 3 H GLU 3 21.770 -14.360 3.479 17 HA GLU 3 HA GLU 3 21.547 -16.946 4.597 18 HB2 GLU 3 2HB GLU 3 22.909 -15.122 5.572 19 HB3 GLU 3 1HB GLU 3 21.431 -14.269 6.000 20 HG2 GLU 3 2HG GLU 3 22.334 -15.405 7.926 21 HG3 GLU 3 1HG GLU 3 20.793 -16.125 7.463 22 H LYS 4 H LYS 4 19.367 -14.146 4.623 23 HA LYS 4 HA LYS 4 17.144 -15.969 5.201 24 HB2 LYS 4 2HB LYS 4 17.763 -14.941 7.334 25 HB3 LYS 4 1HB LYS 4 17.641 -13.342 6.614 26 HG2 LYS 4 2HG LYS 4 15.683 -13.784 7.934 27 HG3 LYS 4 1HG LYS 4 15.239 -13.725 6.228 28 HD2 LYS 4 2HD LYS 4 15.212 -16.157 6.131 29 HD3 LYS 4 1HD LYS 4 15.723 -16.245 7.818 30 HE2 LYS 4 2HE LYS 4 13.664 -15.128 8.504 31 HE3 LYS 4 1HE LYS 4 13.157 -15.014 6.819 32 HZ1 LYS 4 3HZ LYS 4 13.093 -17.416 6.698 33 HZ2 LYS 4 1HZ LYS 4 12.110 -16.877 7.967 34 HZ3 LYS 4 2HZ LYS 4 13.626 -17.547 8.299 35 H SER 5 H SER 5 15.687 -15.776 3.644 36 HA SER 5 HA SER 5 15.010 -13.125 2.624 37 HB2 SER 5 2HB SER 5 15.108 -13.910 0.278 38 HB3 SER 5 1HB SER 5 16.692 -13.944 1.051 39 HG SER 5 HG SER 5 15.843 -15.879 -0.222 40 H SER 6 H SER 6 12.887 -12.883 2.150 41 HA SER 6 HA SER 6 11.200 -15.297 2.151 42 HB2 SER 6 2HB SER 6 10.599 -12.666 3.525 43 HB3 SER 6 1HB SER 6 9.489 -14.032 3.410 44 HG SER 6 HG SER 6 11.387 -13.607 5.212 45 H ASP 7 H ASP 7 11.579 -11.938 1.156 46 HA ASP 7 HA ASP 7 9.594 -12.406 -0.973 47 HB2 ASP 7 2HB ASP 7 10.351 -9.840 0.435 48 HB3 ASP 7 1HB ASP 7 9.335 -9.906 -1.003 49 H GLY 8 H GLY 8 12.340 -10.211 -0.338 50 HA2 GLY 8 2HA GLY 8 14.030 -11.133 -2.335 51 HA3 GLY 8 1HA GLY 8 12.987 -9.936 -3.090 52 HA PRO 9 HA PRO 9 16.896 -7.922 -1.316 53 HB2 PRO 9 2HB PRO 9 16.353 -6.378 -3.811 54 HB3 PRO 9 1HB PRO 9 17.895 -6.909 -3.130 55 HG2 PRO 9 2HG PRO 9 16.846 -8.176 -5.214 56 HG3 PRO 9 1HG PRO 9 17.641 -9.083 -3.914 57 HD2 PRO 9 2HD PRO 9 14.729 -8.751 -4.489 58 HD3 PRO 9 1HD PRO 9 15.606 -10.166 -3.871 59 H GLY 10 H GLY 10 16.276 -6.660 0.328 60 HA2 GLY 10 2HA GLY 10 15.661 -4.599 1.253 61 HA3 GLY 10 1HA GLY 10 14.879 -4.178 -0.264 62 H ALA 11 H ALA 11 13.674 -3.643 2.146 63 HA ALA 11 HA ALA 11 11.182 -5.018 1.832 64 HB1 ALA 11 1HB ALA 11 12.404 -6.649 3.217 65 HB2 ALA 11 2HB ALA 11 11.021 -5.956 4.063 66 HB3 ALA 11 3HB ALA 11 12.652 -5.402 4.440 67 H ALA 12 H ALA 12 12.908 -3.332 4.451 68 HA ALA 12 HA ALA 12 12.492 -1.412 5.582 69 HB1 ALA 12 1HB ALA 12 11.764 0.474 4.376 70 HB2 ALA 12 2HB ALA 12 10.850 -0.512 3.234 71 HB3 ALA 12 3HB ALA 12 12.614 -0.541 3.208 72 H GLN 13 H GLN 13 9.431 -1.360 3.808 73 HA GLN 13 HA GLN 13 8.006 -2.166 6.234 74 HB2 GLN 13 2HB GLN 13 6.460 -0.281 6.058 75 HB3 GLN 13 1HB GLN 13 8.108 0.279 6.303 76 HG2 GLN 13 2HG GLN 13 8.300 0.798 3.931 77 HG3 GLN 13 1HG GLN 13 6.660 0.204 3.662 78 HE21 GLN 13 1HE2 GLN 13 7.841 2.858 3.224 79 HE22 GLN 13 2HE2 GLN 13 6.863 3.959 4.127 80 H GLU 14 H GLU 14 5.976 -3.065 5.890 81 HA GLU 14 HA GLU 14 5.159 -3.426 3.091 82 HB2 GLU 14 2HB GLU 14 4.740 -5.767 3.437 83 HB3 GLU 14 1HB GLU 14 6.394 -5.430 3.921 84 HG2 GLU 14 2HG GLU 14 5.627 -5.338 6.277 85 HG3 GLU 14 1HG GLU 14 4.027 -5.836 5.728 86 HA PRO 15 HA PRO 15 1.074 -2.429 4.385 87 HB2 PRO 15 2HB PRO 15 -0.471 -4.205 3.003 88 HB3 PRO 15 1HB PRO 15 0.299 -2.793 2.269 89 HG2 PRO 15 2HG PRO 15 1.175 -5.650 2.265 90 HG3 PRO 15 1HG PRO 15 1.204 -4.464 0.947 91 HD2 PRO 15 2HD PRO 15 3.411 -5.107 2.365 92 HD3 PRO 15 1HD PRO 15 3.146 -3.483 1.703 93 H THR 16 H THR 16 -0.372 -2.881 5.959 94 HA THR 16 HA THR 16 0.142 -4.969 7.774 95 HB THR 16 HB THR 16 -2.416 -3.375 7.584 96 HG1 THR 16 1HG THR 16 -1.337 -1.872 8.924 97 HG21 THR 16 3HG2 THR 16 -2.487 -3.724 10.012 98 HG22 THR 16 1HG2 THR 16 -1.018 -4.693 9.913 99 HG23 THR 16 2HG2 THR 16 -2.498 -5.255 9.139 100 H TRP 17 H TRP 17 -1.173 -6.740 8.404 101 HA TRP 17 HA TRP 17 -2.584 -7.970 6.155 102 HB2 TRP 17 2HB TRP 17 -1.496 -9.112 8.733 103 HB3 TRP 17 1HB TRP 17 -2.450 -10.046 7.587 104 HD1 TRP 17 HD TRP 17 -1.302 -10.073 4.974 105 HE1 TRP 17 1HE TRP 17 1.176 -10.451 4.389 106 HE3 TRP 17 3HE TRP 17 0.792 -8.870 9.483 107 HZ2 TRP 17 2HZ TRP 17 3.684 -10.267 5.669 108 HZ3 TRP 17 3HZ TRP 17 3.238 -8.997 9.717 109 HH2 TRP 17 HH TRP 17 4.652 -9.682 7.849 110 H LEU 18 H LEU 18 -4.593 -6.998 6.227 111 HA LEU 18 HA LEU 18 -6.131 -7.006 8.693 112 HB2 LEU 18 2HB LEU 18 -6.994 -6.193 5.918 113 HB3 LEU 18 1HB LEU 18 -7.802 -5.811 7.428 114 HG LEU 18 HG LEU 18 -5.048 -4.828 6.682 115 HD11 LEU 18 1HD1 LEU 18 -7.725 -3.464 6.505 116 HD12 LEU 18 2HD1 LEU 18 -6.644 -3.866 5.171 117 HD13 LEU 18 3HD1 LEU 18 -6.168 -2.651 6.356 118 HD21 LEU 18 3HD2 LEU 18 -6.918 -4.147 8.945 119 HD22 LEU 18 1HD2 LEU 18 -5.452 -3.246 8.550 120 HD23 LEU 18 2HD2 LEU 18 -5.341 -4.931 9.062 121 H THR 19 H THR 19 -5.929 -9.418 8.741 122 HA THR 19 HA THR 19 -7.281 -11.028 6.834 123 HB THR 19 HB THR 19 -7.003 -12.854 8.408 124 HG1 THR 19 1HG THR 19 -6.728 -10.744 10.212 125 HG21 THR 19 3HG2 THR 19 -4.565 -12.737 8.734 126 HG22 THR 19 1HG2 THR 19 -4.609 -11.013 8.364 127 HG23 THR 19 2HG2 THR 19 -5.042 -12.191 7.126 128 H ASP 20 H ASP 20 -8.560 -8.890 9.015 129 HA ASP 20 HA ASP 20 -11.116 -10.318 8.969 130 HB2 ASP 20 2HB ASP 20 -9.882 -9.069 11.429 131 HB3 ASP 20 1HB ASP 20 -11.550 -9.627 11.325 132 H VAL 21 H VAL 21 -12.948 -9.034 8.961 133 HA VAL 21 HA VAL 21 -12.786 -6.593 7.639 134 HB VAL 21 HB VAL 21 -15.097 -7.533 9.347 135 HG11 VAL 21 1HG1 VAL 21 -16.456 -6.171 7.825 136 HG12 VAL 21 2HG1 VAL 21 -14.987 -5.618 7.019 137 HG13 VAL 21 3HG1 VAL 21 -15.280 -5.198 8.707 138 HG21 VAL 21 3HG2 VAL 21 -14.446 -8.106 6.458 139 HG22 VAL 21 1HG2 VAL 21 -15.979 -8.487 7.242 140 HG23 VAL 21 2HG2 VAL 21 -14.493 -9.270 7.782 141 HA PRO 22 HA PRO 22 -13.714 -4.465 11.970 142 HB2 PRO 22 2HB PRO 22 -12.498 -5.821 14.051 143 HB3 PRO 22 1HB PRO 22 -14.224 -5.877 13.685 144 HG2 PRO 22 2HG PRO 22 -12.067 -7.814 12.960 145 HG3 PRO 22 1HG PRO 22 -13.725 -8.133 13.505 146 HD2 PRO 22 2HD PRO 22 -13.054 -8.346 10.929 147 HD3 PRO 22 1HD PRO 22 -14.631 -7.686 11.411 148 H ALA 23 H ALA 23 -10.778 -6.483 11.787 149 HA ALA 23 HA ALA 23 -9.025 -4.530 12.802 150 HB1 ALA 23 1HB ALA 23 -7.230 -5.918 11.953 151 HB2 ALA 23 2HB ALA 23 -8.361 -6.801 10.929 152 HB3 ALA 23 3HB ALA 23 -8.471 -6.935 12.684 153 H ALA 24 H ALA 24 -10.194 -5.271 9.614 154 HA ALA 24 HA ALA 24 -8.431 -3.662 8.117 155 HB1 ALA 24 1HB ALA 24 -11.285 -4.472 7.529 156 HB2 ALA 24 2HB ALA 24 -9.826 -5.332 7.037 157 HB3 ALA 24 3HB ALA 24 -10.183 -3.739 6.365 158 H MET 25 H MET 25 -11.795 -3.009 9.088 159 HA MET 25 HA MET 25 -11.840 -0.308 8.369 160 HB2 MET 25 2HB MET 25 -13.461 -1.601 10.565 161 HB3 MET 25 1HB MET 25 -13.872 -0.153 9.658 162 HG2 MET 25 2HG MET 25 -13.910 -1.596 7.596 163 HG3 MET 25 1HG MET 25 -13.789 -2.986 8.670 164 HE1 MET 25 3HE MET 25 -15.627 -3.573 10.528 165 HE2 MET 25 1HE MET 25 -17.092 -2.622 10.779 166 HE3 MET 25 2HE MET 25 -15.517 -1.932 11.171 167 H GLU 26 H GLU 26 -10.554 -1.892 11.190 168 HA GLU 26 HA GLU 26 -10.538 0.407 12.871 169 HB2 GLU 26 2HB GLU 26 -9.216 -2.271 12.954 170 HB3 GLU 26 1HB GLU 26 -8.636 -0.999 14.023 171 HG2 GLU 26 2HG GLU 26 -10.994 -0.736 14.828 172 HG3 GLU 26 1HG GLU 26 -11.389 -2.189 13.910 173 H PHE 27 H PHE 27 -8.005 -1.201 10.950 174 HA PHE 27 HA PHE 27 -6.014 0.699 11.472 175 HB2 PHE 27 2HB PHE 27 -6.418 -1.409 9.411 176 HB3 PHE 27 1HB PHE 27 -5.212 -0.170 9.076 177 HD1 PHE 27 1HD PHE 27 -6.152 -2.915 11.335 178 HD2 PHE 27 2HD PHE 27 -3.162 -0.071 10.298 179 HE1 PHE 27 1HE PHE 27 -4.538 -4.098 12.765 180 HE2 PHE 27 2HE PHE 27 -1.541 -1.250 11.725 181 HZ PHE 27 HZ PHE 27 -2.229 -3.266 12.963 182 H ILE 28 H ILE 28 -8.665 0.623 9.216 183 HA ILE 28 HA ILE 28 -7.807 2.874 7.664 184 HB ILE 28 HB ILE 28 -10.448 1.457 7.957 185 HG12 ILE 28 2HG1 ILE 28 -8.730 1.852 5.505 186 HG13 ILE 28 1HG1 ILE 28 -8.511 0.497 6.611 187 HG21 ILE 28 1HG2 ILE 28 -11.327 2.900 6.160 188 HG22 ILE 28 2HG2 ILE 28 -9.881 3.899 6.284 189 HG23 ILE 28 3HG2 ILE 28 -10.996 3.792 7.644 190 HD11 ILE 28 3HD1 ILE 28 -10.640 -0.386 6.091 191 HD12 ILE 28 1HD1 ILE 28 -9.878 0.037 4.558 192 HD13 ILE 28 2HD1 ILE 28 -11.118 1.088 5.244 193 H ALA 29 H ALA 29 -9.841 2.372 10.481 194 HA ALA 29 HA ALA 29 -10.790 5.063 10.626 195 HB1 ALA 29 1HB ALA 29 -10.801 2.851 12.683 196 HB2 ALA 29 2HB ALA 29 -12.105 3.260 11.566 197 HB3 ALA 29 3HB ALA 29 -11.649 4.391 12.839 198 H ALA 30 H ALA 30 -7.924 3.455 11.579 199 HA ALA 30 HA ALA 30 -7.236 5.476 13.573 200 HB1 ALA 30 1HB ALA 30 -5.257 4.095 13.990 201 HB2 ALA 30 2HB ALA 30 -5.730 3.026 12.669 202 HB3 ALA 30 3HB ALA 30 -6.745 3.155 14.105 203 H THR 31 H THR 31 -7.509 6.196 10.763 204 HA THR 31 HA THR 31 -5.169 7.772 10.475 205 HB THR 31 HB THR 31 -4.175 5.662 9.739 206 HG1 THR 31 1HG THR 31 -4.680 7.471 7.587 207 HG21 THR 31 3HG2 THR 31 -5.091 4.257 8.202 208 HG22 THR 31 1HG2 THR 31 -5.888 5.561 7.321 209 HG23 THR 31 2HG2 THR 31 -6.579 4.963 8.829 210 H GLU 32 H GLU 32 -5.300 9.248 8.726 211 HA GLU 32 HA GLU 32 -7.949 9.981 7.996 212 HB2 GLU 32 2HB GLU 32 -5.886 11.483 8.319 213 HB3 GLU 32 1HB GLU 32 -5.442 11.015 6.684 214 HG2 GLU 32 2HG GLU 32 -7.537 11.921 5.843 215 HG3 GLU 32 1HG GLU 32 -8.010 12.363 7.485 216 H VAL 33 H VAL 33 -5.209 8.647 6.163 217 HA VAL 33 HA VAL 33 -7.114 7.840 4.062 218 HB VAL 33 HB VAL 33 -4.203 8.471 3.597 219 HG11 VAL 33 1HG1 VAL 33 -6.508 8.075 1.687 220 HG12 VAL 33 2HG1 VAL 33 -5.190 6.935 1.984 221 HG13 VAL 33 3HG1 VAL 33 -4.851 8.498 1.237 222 HG21 VAL 33 3HG2 VAL 33 -5.297 10.505 4.280 223 HG22 VAL 33 1HG2 VAL 33 -6.627 10.203 3.161 224 HG23 VAL 33 2HG2 VAL 33 -5.013 10.555 2.539 225 H ALA 34 H ALA 34 -6.997 5.747 3.330 226 HA ALA 34 HA ALA 34 -4.826 4.051 4.305 227 HB1 ALA 34 1HB ALA 34 -7.740 3.520 4.839 228 HB2 ALA 34 2HB ALA 34 -6.475 3.824 6.031 229 HB3 ALA 34 3HB ALA 34 -6.451 2.340 5.074 230 H VAL 35 H VAL 35 -4.104 2.772 2.771 231 HA VAL 35 HA VAL 35 -5.919 2.078 0.560 232 HB VAL 35 HB VAL 35 -2.939 2.530 0.539 233 HG11 VAL 35 1HG1 VAL 35 -3.019 1.860 -1.847 234 HG12 VAL 35 2HG1 VAL 35 -4.675 1.302 -1.609 235 HG13 VAL 35 3HG1 VAL 35 -3.348 0.518 -0.753 236 HG21 VAL 35 3HG2 VAL 35 -3.588 4.129 -1.248 237 HG22 VAL 35 1HG2 VAL 35 -4.276 4.512 0.332 238 HG23 VAL 35 2HG2 VAL 35 -5.280 3.751 -0.904 239 H ILE 36 H ILE 36 -6.318 0.010 0.215 240 HA ILE 36 HA ILE 36 -4.604 -1.981 1.523 241 HB ILE 36 HB ILE 36 -7.613 -1.912 1.697 242 HG12 ILE 36 2HG1 ILE 36 -5.707 -1.768 4.011 243 HG13 ILE 36 1HG1 ILE 36 -6.102 -0.312 3.110 244 HG21 ILE 36 1HG2 ILE 36 -7.305 -3.837 3.232 245 HG22 ILE 36 2HG2 ILE 36 -5.596 -3.877 2.788 246 HG23 ILE 36 3HG2 ILE 36 -6.834 -4.189 1.569 247 HD11 ILE 36 3HD1 ILE 36 -8.000 -2.091 4.601 248 HD12 ILE 36 1HD1 ILE 36 -8.484 -0.727 3.595 249 HD13 ILE 36 2HD1 ILE 36 -7.497 -0.453 5.031 250 H GLY 37 H GLY 37 -4.277 -3.823 0.449 251 HA2 GLY 37 2HA GLY 37 -5.483 -4.031 -2.212 252 HA3 GLY 37 1HA GLY 37 -3.997 -4.804 -1.700 253 H PHE 38 H PHE 38 -7.444 -5.053 -1.870 254 HA PHE 38 HA PHE 38 -7.577 -7.481 -0.293 255 HB2 PHE 38 2HB PHE 38 -9.662 -6.135 -2.032 256 HB3 PHE 38 1HB PHE 38 -9.955 -7.508 -0.971 257 HD1 PHE 38 1HD PHE 38 -8.811 -6.978 1.503 258 HD2 PHE 38 2HD PHE 38 -10.536 -4.182 -1.196 259 HE1 PHE 38 1HE PHE 38 -9.275 -5.462 3.381 260 HE2 PHE 38 2HE PHE 38 -11.005 -2.661 0.680 261 HZ PHE 38 HZ PHE 38 -10.372 -3.296 2.971 262 H PHE 39 H PHE 39 -6.236 -8.934 -1.315 263 HA PHE 39 HA PHE 39 -6.916 -9.648 -4.088 264 HB2 PHE 39 2HB PHE 39 -4.376 -10.322 -2.610 265 HB3 PHE 39 1HB PHE 39 -4.684 -10.474 -4.339 266 HD1 PHE 39 1HD PHE 39 -5.876 -7.916 -5.024 267 HD2 PHE 39 2HD PHE 39 -2.672 -8.794 -2.371 268 HE1 PHE 39 1HE PHE 39 -4.962 -5.665 -5.392 269 HE2 PHE 39 2HE PHE 39 -1.751 -6.541 -2.731 270 HZ PHE 39 HZ PHE 39 -2.898 -4.974 -4.245 271 H GLN 40 H GLN 40 -7.305 -11.741 -4.664 272 HA GLN 40 HA GLN 40 -7.902 -13.597 -2.493 273 HB2 GLN 40 2HB GLN 40 -8.462 -13.800 -5.464 274 HB3 GLN 40 1HB GLN 40 -9.017 -14.936 -4.243 275 HG2 GLN 40 2HG GLN 40 -10.314 -13.128 -3.190 276 HG3 GLN 40 1HG GLN 40 -9.802 -12.040 -4.480 277 HE21 GLN 40 1HE2 GLN 40 -10.602 -12.348 -6.568 278 HE22 GLN 40 2HE2 GLN 40 -12.020 -13.289 -6.871 279 H ASP 41 H ASP 41 -5.360 -12.764 -4.331 280 HA ASP 41 HA ASP 41 -3.925 -15.212 -3.806 281 HB2 ASP 41 2HB ASP 41 -5.022 -15.544 -6.066 282 HB3 ASP 41 1HB ASP 41 -4.061 -14.186 -6.652 283 H LEU 42 H LEU 42 -2.084 -14.496 -2.913 284 HA LEU 42 HA LEU 42 -1.181 -11.799 -3.482 285 HB2 LEU 42 2HB LEU 42 -0.137 -13.845 -1.526 286 HB3 LEU 42 1HB LEU 42 0.432 -12.190 -1.656 287 HG LEU 42 HG LEU 42 -2.359 -13.030 -0.876 288 HD11 LEU 42 1HD1 LEU 42 -0.295 -11.684 0.844 289 HD12 LEU 42 2HD1 LEU 42 -0.481 -13.437 0.778 290 HD13 LEU 42 3HD1 LEU 42 -1.818 -12.428 1.333 291 HD21 LEU 42 3HD2 LEU 42 -1.075 -10.315 -1.128 292 HD22 LEU 42 1HD2 LEU 42 -2.605 -10.616 -0.305 293 HD23 LEU 42 2HD2 LEU 42 -2.458 -10.936 -2.032 294 H GLU 43 H GLU 43 -0.928 -13.330 -5.702 295 HA GLU 43 HA GLU 43 1.990 -13.450 -6.001 296 HB2 GLU 43 2HB GLU 43 0.057 -15.452 -7.185 297 HB3 GLU 43 1HB GLU 43 1.796 -15.422 -7.438 298 HG2 GLU 43 2HG GLU 43 2.121 -15.822 -5.037 299 HG3 GLU 43 1HG GLU 43 0.372 -15.932 -4.843 300 H ILE 44 H ILE 44 -0.545 -11.771 -6.728 301 HA ILE 44 HA ILE 44 -0.261 -11.607 -9.626 302 HB ILE 44 HB ILE 44 -2.025 -9.773 -9.329 303 HG12 ILE 44 2HG1 ILE 44 -2.450 -11.075 -6.658 304 HG13 ILE 44 1HG1 ILE 44 -1.465 -9.631 -6.829 305 HG21 ILE 44 1HG2 ILE 44 -3.820 -11.380 -9.233 306 HG22 ILE 44 2HG2 ILE 44 -2.761 -12.569 -8.473 307 HG23 ILE 44 3HG2 ILE 44 -2.469 -12.061 -10.138 308 HD11 ILE 44 3HD1 ILE 44 -4.391 -9.963 -7.329 309 HD12 ILE 44 1HD1 ILE 44 -3.480 -8.582 -7.942 310 HD13 ILE 44 2HD1 ILE 44 -3.571 -8.877 -6.205 311 HA PRO 45 HA PRO 45 2.367 -8.065 -9.909 312 HB2 PRO 45 2HB PRO 45 0.190 -6.688 -11.406 313 HB3 PRO 45 1HB PRO 45 1.870 -6.957 -11.871 314 HG2 PRO 45 2HG PRO 45 -0.065 -8.393 -12.978 315 HG3 PRO 45 1HG PRO 45 1.469 -9.159 -12.523 316 HD2 PRO 45 2HD PRO 45 -1.181 -9.245 -11.131 317 HD3 PRO 45 1HD PRO 45 0.015 -10.537 -11.356 318 H ALA 46 H ALA 46 -0.945 -7.597 -8.919 319 HA ALA 46 HA ALA 46 -0.793 -4.919 -8.081 320 HB1 ALA 46 1HB ALA 46 -2.570 -7.001 -6.851 321 HB2 ALA 46 2HB ALA 46 -2.863 -6.321 -8.452 322 HB3 ALA 46 3HB ALA 46 -2.870 -5.273 -7.033 323 H VAL 47 H VAL 47 -0.051 -7.937 -6.378 324 HA VAL 47 HA VAL 47 0.091 -6.838 -3.806 325 HB VAL 47 HB VAL 47 1.883 -9.107 -4.586 326 HG11 VAL 47 1HG1 VAL 47 0.197 -8.545 -2.147 327 HG12 VAL 47 2HG1 VAL 47 1.936 -8.289 -2.283 328 HG13 VAL 47 3HG1 VAL 47 1.277 -9.922 -2.365 329 HG21 VAL 47 3HG2 VAL 47 -0.203 -9.558 -5.734 330 HG22 VAL 47 1HG2 VAL 47 -1.112 -9.240 -4.256 331 HG23 VAL 47 2HG2 VAL 47 -0.034 -10.633 -4.346 332 HA PRO 48 HA PRO 48 4.907 -6.325 -4.481 333 HB2 PRO 48 2HB PRO 48 5.016 -6.086 -7.433 334 HB3 PRO 48 1HB PRO 48 6.131 -6.899 -6.327 335 HG2 PRO 48 2HG PRO 48 4.484 -8.300 -7.887 336 HG3 PRO 48 1HG PRO 48 4.836 -8.818 -6.227 337 HD2 PRO 48 2HD PRO 48 2.416 -7.430 -7.303 338 HD3 PRO 48 1HD PRO 48 2.527 -8.737 -6.113 339 H ILE 49 H ILE 49 2.719 -4.979 -6.895 340 HA ILE 49 HA ILE 49 3.885 -2.423 -7.057 341 HB ILE 49 HB ILE 49 1.258 -3.588 -7.822 342 HG12 ILE 49 2HG1 ILE 49 2.994 -1.889 -9.544 343 HG13 ILE 49 1HG1 ILE 49 3.553 -3.500 -9.113 344 HG21 ILE 49 1HG2 ILE 49 0.342 -1.604 -7.110 345 HG22 ILE 49 2HG2 ILE 49 0.741 -1.244 -8.788 346 HG23 ILE 49 3HG2 ILE 49 1.791 -0.678 -7.491 347 HD11 ILE 49 3HD1 ILE 49 0.843 -3.047 -10.295 348 HD12 ILE 49 1HD1 ILE 49 1.792 -4.533 -10.228 349 HD13 ILE 49 2HD1 ILE 49 2.284 -3.221 -11.299 350 H LEU 50 H LEU 50 1.470 -3.798 -4.896 351 HA LEU 50 HA LEU 50 0.796 -1.296 -3.680 352 HB2 LEU 50 2HB LEU 50 -0.810 -3.089 -3.598 353 HB3 LEU 50 1HB LEU 50 0.341 -4.144 -2.809 354 HG LEU 50 HG LEU 50 0.315 -2.573 -0.846 355 HD11 LEU 50 1HD1 LEU 50 -2.092 -1.411 -2.233 356 HD12 LEU 50 2HD1 LEU 50 -0.527 -0.612 -2.089 357 HD13 LEU 50 3HD1 LEU 50 -1.470 -0.973 -0.642 358 HD21 LEU 50 3HD2 LEU 50 -1.072 -4.705 -1.105 359 HD22 LEU 50 1HD2 LEU 50 -2.438 -3.633 -1.433 360 HD23 LEU 50 2HD2 LEU 50 -1.589 -3.540 0.115 361 H HIS 51 H HIS 51 2.745 -4.098 -2.640 362 HA HIS 51 HA HIS 51 3.705 -3.029 -0.260 363 HB2 HIS 51 2HB HIS 51 4.985 -4.959 -2.202 364 HB3 HIS 51 1HB HIS 51 5.704 -4.546 -0.648 365 HD1 HIS 51 1HD HIS 51 5.353 -6.489 0.831 366 HD2 HIS 51 2HD HIS 51 1.973 -5.653 -1.436 367 HE1 HIS 51 1HE HIS 51 3.601 -8.116 1.611 368 HE2 HIS 51 2HE HIS 51 1.561 -7.588 0.229 369 H SER 52 H SER 52 4.449 -2.264 -3.526 370 HA SER 52 HA SER 52 6.936 -0.914 -2.924 371 HB2 SER 52 2HB SER 52 6.645 -2.017 -5.102 372 HB3 SER 52 1HB SER 52 5.281 -0.960 -5.463 373 HG SER 52 HG SER 52 6.929 0.788 -5.066 374 H MET 53 H MET 53 3.611 -0.012 -3.802 375 HA MET 53 HA MET 53 4.018 2.765 -3.829 376 HB2 MET 53 2HB MET 53 1.721 2.984 -4.006 377 HB3 MET 53 1HB MET 53 1.965 1.349 -4.601 378 HG2 MET 53 2HG MET 53 0.145 1.135 -3.204 379 HG3 MET 53 1HG MET 53 1.486 0.621 -2.188 380 HE1 MET 53 3HE MET 53 0.395 0.947 0.130 381 HE2 MET 53 1HE MET 53 -1.116 1.199 -0.744 382 HE3 MET 53 2HE MET 53 -0.643 2.313 0.537 383 H VAL 54 H VAL 54 3.676 0.469 -1.288 384 HA VAL 54 HA VAL 54 2.817 1.979 0.853 385 HB VAL 54 HB VAL 54 4.847 -0.239 0.768 386 HG11 VAL 54 1HG1 VAL 54 3.534 1.007 3.171 387 HG12 VAL 54 2HG1 VAL 54 5.250 1.065 2.767 388 HG13 VAL 54 3HG1 VAL 54 4.492 -0.472 3.187 389 HG21 VAL 54 3HG2 VAL 54 2.799 -1.135 0.137 390 HG22 VAL 54 1HG2 VAL 54 1.897 -0.098 1.240 391 HG23 VAL 54 2HG2 VAL 54 2.855 -1.436 1.872 392 H GLN 55 H GLN 55 6.149 1.554 -0.306 393 HA GLN 55 HA GLN 55 7.238 3.368 1.609 394 HB2 GLN 55 2HB GLN 55 8.556 2.524 -0.952 395 HB3 GLN 55 1HB GLN 55 9.306 2.996 0.566 396 HG2 GLN 55 2HG GLN 55 8.404 0.956 1.613 397 HG3 GLN 55 1HG GLN 55 7.749 0.475 0.047 398 HE21 GLN 55 1HE2 GLN 55 9.715 -0.850 1.752 399 HE22 GLN 55 2HE2 GLN 55 11.131 -1.045 0.784 400 H LYS 56 H LYS 56 5.511 3.768 -1.239 401 HA LYS 56 HA LYS 56 6.751 6.315 -1.951 402 HB2 LYS 56 2HB LYS 56 4.451 4.824 -3.228 403 HB3 LYS 56 1HB LYS 56 5.206 6.278 -3.862 404 HG2 LYS 56 2HG LYS 56 7.300 5.083 -4.168 405 HG3 LYS 56 1HG LYS 56 6.579 3.622 -3.490 406 HD2 LYS 56 2HD LYS 56 6.496 3.358 -5.835 407 HD3 LYS 56 1HD LYS 56 4.856 3.788 -5.344 408 HE2 LYS 56 2HE LYS 56 5.340 5.082 -7.266 409 HE3 LYS 56 1HE LYS 56 5.441 6.173 -5.885 410 HZ1 LYS 56 3HZ LYS 56 7.755 4.890 -7.232 411 HZ2 LYS 56 1HZ LYS 56 7.839 5.961 -5.927 412 HZ3 LYS 56 2HZ LYS 56 7.276 6.500 -7.428 413 H PHE 57 H PHE 57 4.155 5.037 -0.154 414 HA PHE 57 HA PHE 57 3.130 7.741 0.317 415 HB2 PHE 57 2HB PHE 57 1.555 5.316 -0.482 416 HB3 PHE 57 1HB PHE 57 0.808 6.617 0.442 417 HD1 PHE 57 2HD PHE 57 0.661 8.893 -0.532 418 HD2 PHE 57 1HD PHE 57 2.000 5.545 -2.794 419 HE1 PHE 57 2HE PHE 57 0.273 10.147 -2.612 420 HE2 PHE 57 1HE PHE 57 1.614 6.794 -4.878 421 HZ PHE 57 HZ PHE 57 0.749 9.099 -4.789 422 HA PRO 58 HA PRO 58 4.186 5.219 4.211 423 HB2 PRO 58 2HB PRO 58 5.291 7.490 5.392 424 HB3 PRO 58 1HB PRO 58 6.204 6.198 4.604 425 HG2 PRO 58 2HG PRO 58 5.328 8.839 3.509 426 HG3 PRO 58 1HG PRO 58 6.867 7.984 3.280 427 HD2 PRO 58 2HD PRO 58 5.026 7.977 1.359 428 HD3 PRO 58 1HD PRO 58 5.947 6.503 1.726 429 H GLY 59 H GLY 59 3.072 8.574 3.779 430 HA2 GLY 59 2HA GLY 59 1.696 8.864 6.191 431 HA3 GLY 59 1HA GLY 59 1.292 9.703 4.697 432 H VAL 60 H VAL 60 0.671 7.474 3.124 433 HA VAL 60 HA VAL 60 -2.032 7.010 3.847 434 HB VAL 60 HB VAL 60 -0.219 5.912 1.710 435 HG11 VAL 60 1HG1 VAL 60 -3.087 5.078 2.165 436 HG12 VAL 60 2HG1 VAL 60 -1.670 4.052 2.387 437 HG13 VAL 60 3HG1 VAL 60 -2.087 4.644 0.779 438 HG21 VAL 60 3HG2 VAL 60 -2.721 7.596 1.681 439 HG22 VAL 60 1HG2 VAL 60 -1.870 7.029 0.242 440 HG23 VAL 60 2HG2 VAL 60 -1.072 8.135 1.361 441 H SER 61 H SER 61 -3.020 5.153 4.671 442 HA SER 61 HA SER 61 -1.309 3.504 6.302 443 HB2 SER 61 2HB SER 61 -3.451 4.266 7.197 444 HB3 SER 61 1HB SER 61 -4.305 3.417 5.910 445 HG SER 61 HG SER 61 -3.699 2.446 8.222 446 H PHE 62 H PHE 62 -0.133 2.127 5.108 447 HA PHE 62 HA PHE 62 -1.072 0.715 2.851 448 HB2 PHE 62 2HB PHE 62 0.978 -0.790 3.428 449 HB3 PHE 62 1HB PHE 62 1.242 0.877 2.920 450 HD1 PHE 62 1HD PHE 62 1.307 -1.438 5.767 451 HD2 PHE 62 2HD PHE 62 2.091 2.529 4.440 452 HE1 PHE 62 1HE PHE 62 2.575 -1.003 7.828 453 HE2 PHE 62 2HE PHE 62 3.359 2.970 6.500 454 HZ PHE 62 HZ PHE 62 3.605 1.202 8.196 455 H GLY 63 H GLY 63 -2.317 -1.008 2.708 456 HA2 GLY 63 2HA GLY 63 -2.380 -2.937 4.911 457 HA3 GLY 63 1HA GLY 63 -3.895 -2.193 4.419 458 H ILE 64 H ILE 64 -3.480 -4.937 4.350 459 HA ILE 64 HA ILE 64 -4.142 -5.470 1.616 460 HB ILE 64 HB ILE 64 -1.518 -5.510 1.917 461 HG12 ILE 64 2HG1 ILE 64 -3.034 -7.647 0.418 462 HG13 ILE 64 1HG1 ILE 64 -2.732 -6.012 -0.151 463 HG21 ILE 64 1HG2 ILE 64 -1.492 -7.079 3.780 464 HG22 ILE 64 2HG2 ILE 64 -0.653 -7.745 2.379 465 HG23 ILE 64 3HG2 ILE 64 -2.278 -8.295 2.776 466 HD11 ILE 64 3HD1 ILE 64 -1.208 -7.550 -1.202 467 HD12 ILE 64 1HD1 ILE 64 -0.664 -8.136 0.369 468 HD13 ILE 64 2HD1 ILE 64 -0.319 -6.477 -0.123 469 H SER 65 H SER 65 -5.297 -7.380 1.404 470 HA SER 65 HA SER 65 -5.412 -9.198 3.672 471 HB2 SER 65 2HB SER 65 -7.051 -7.525 4.319 472 HB3 SER 65 1HB SER 65 -7.829 -7.639 2.741 473 HG SER 65 HG SER 65 -9.012 -8.931 4.046 474 H THR 66 H THR 66 -6.561 -11.145 3.264 475 HA THR 66 HA THR 66 -7.213 -11.692 0.458 476 HB THR 66 HB THR 66 -6.037 -13.855 0.565 477 HG1 THR 66 1HG THR 66 -4.707 -12.950 2.891 478 HG21 THR 66 3HG2 THR 66 -4.158 -11.595 1.228 479 HG22 THR 66 1HG2 THR 66 -4.941 -11.796 -0.342 480 HG23 THR 66 2HG2 THR 66 -3.819 -13.023 0.250 481 H ASP 67 H ASP 67 -8.250 -11.610 3.508 482 HA ASP 67 HA ASP 67 -9.507 -14.135 3.858 483 HB2 ASP 67 2HB ASP 67 -9.009 -12.541 5.710 484 HB3 ASP 67 1HB ASP 67 -10.265 -11.475 5.086 485 H SER 68 H SER 68 -11.598 -14.774 3.454 486 HA SER 68 HA SER 68 -12.858 -13.652 1.180 487 HB2 SER 68 2HB SER 68 -13.918 -15.673 3.172 488 HB3 SER 68 1HB SER 68 -14.629 -15.324 1.598 489 HG SER 68 HG SER 68 -13.334 -17.049 1.258 490 H GLU 69 H GLU 69 -13.825 -13.741 4.613 491 HA GLU 69 HA GLU 69 -16.227 -12.403 4.444 492 HB2 GLU 69 2HB GLU 69 -14.201 -12.086 6.656 493 HB3 GLU 69 1HB GLU 69 -15.931 -11.791 6.766 494 HG2 GLU 69 2HG GLU 69 -16.382 -14.145 6.393 495 HG3 GLU 69 1HG GLU 69 -14.656 -14.461 6.214 496 H VAL 70 H VAL 70 -12.975 -11.022 4.601 497 HA VAL 70 HA VAL 70 -13.904 -8.332 4.729 498 HB VAL 70 HB VAL 70 -11.197 -9.476 4.035 499 HG11 VAL 70 1HG1 VAL 70 -12.010 -6.589 4.331 500 HG12 VAL 70 2HG1 VAL 70 -11.371 -7.372 2.884 501 HG13 VAL 70 3HG1 VAL 70 -10.340 -7.162 4.301 502 HG21 VAL 70 3HG2 VAL 70 -10.697 -8.247 6.267 503 HG22 VAL 70 1HG2 VAL 70 -11.504 -9.815 6.305 504 HG23 VAL 70 2HG2 VAL 70 -12.441 -8.336 6.500 505 H LEU 71 H LEU 71 -12.390 -10.231 2.118 506 HA LEU 71 HA LEU 71 -12.695 -8.328 0.097 507 HB2 LEU 71 2HB LEU 71 -12.346 -11.290 0.144 508 HB3 LEU 71 1HB LEU 71 -12.783 -10.521 -1.370 509 HG LEU 71 HG LEU 71 -10.778 -9.245 -1.417 510 HD11 LEU 71 1HD1 LEU 71 -10.638 -8.589 0.898 511 HD12 LEU 71 2HD1 LEU 71 -9.118 -9.329 0.399 512 HD13 LEU 71 3HD1 LEU 71 -10.264 -10.244 1.378 513 HD21 LEU 71 3HD2 LEU 71 -9.038 -11.006 -1.294 514 HD22 LEU 71 1HD2 LEU 71 -10.482 -11.503 -2.176 515 HD23 LEU 71 2HD2 LEU 71 -10.219 -12.069 -0.526 516 H THR 72 H THR 72 -15.015 -10.157 1.742 517 HA THR 72 HA THR 72 -17.005 -10.014 -0.382 518 HB THR 72 HB THR 72 -17.191 -11.075 2.447 519 HG1 THR 72 1HG THR 72 -17.407 -13.094 1.160 520 HG21 THR 72 3HG2 THR 72 -19.210 -11.054 0.197 521 HG22 THR 72 1HG2 THR 72 -19.374 -10.322 1.794 522 HG23 THR 72 2HG2 THR 72 -19.345 -12.078 1.629 523 H HIS 73 H HIS 73 -16.306 -8.636 2.789 524 HA HIS 73 HA HIS 73 -18.656 -7.125 3.087 525 HB2 HIS 73 2HB HIS 73 -17.007 -7.600 4.905 526 HB3 HIS 73 1HB HIS 73 -15.899 -6.461 4.148 527 HD1 HIS 73 1HD HIS 73 -18.948 -6.644 6.265 528 HD2 HIS 73 2HD HIS 73 -16.632 -3.736 4.407 529 HE1 HIS 73 1HE HIS 73 -19.673 -4.459 7.276 530 HE2 HIS 73 2HE HIS 73 -18.277 -2.710 6.121 531 H TYR 74 H TYR 74 -15.639 -6.516 1.407 532 HA TYR 74 HA TYR 74 -16.531 -3.827 0.672 533 HB2 TYR 74 2HB TYR 74 -13.901 -5.266 0.321 534 HB3 TYR 74 1HB TYR 74 -14.234 -3.693 -0.396 535 HD1 TYR 74 1HD TYR 74 -13.728 -5.512 2.762 536 HD2 TYR 74 2HD TYR 74 -14.272 -1.701 0.950 537 HE1 TYR 74 1HE TYR 74 -13.034 -4.424 4.855 538 HE2 TYR 74 2HE TYR 74 -13.578 -0.603 3.038 539 HH TYR 74 HH TYR 74 -13.450 -1.086 5.419 540 H ASN 75 H ASN 75 -17.357 -6.673 -0.361 541 HA ASN 75 HA ASN 75 -18.098 -7.595 -2.299 542 HB2 ASN 75 2HB ASN 75 -18.172 -4.674 -3.031 543 HB3 ASN 75 1HB ASN 75 -18.793 -5.941 -4.084 544 HD21 ASN 75 1HD2 ASN 75 -19.215 -4.248 -1.074 545 HD22 ASN 75 2HD2 ASN 75 -20.834 -4.776 -0.774 546 H ILE 76 H ILE 76 -15.184 -7.196 -1.922 547 HA ILE 76 HA ILE 76 -13.915 -6.562 -4.349 548 HB ILE 76 HB ILE 76 -12.956 -8.532 -2.269 549 HG12 ILE 76 2HG1 ILE 76 -13.559 -6.443 -1.191 550 HG13 ILE 76 1HG1 ILE 76 -11.811 -6.596 -1.247 551 HG21 ILE 76 1HG2 ILE 76 -10.706 -7.641 -3.064 552 HG22 ILE 76 2HG2 ILE 76 -11.585 -7.001 -4.452 553 HG23 ILE 76 3HG2 ILE 76 -11.569 -8.736 -4.141 554 HD11 ILE 76 3HD1 ILE 76 -11.679 -5.028 -3.057 555 HD12 ILE 76 1HD1 ILE 76 -12.619 -4.323 -1.744 556 HD13 ILE 76 2HD1 ILE 76 -13.437 -4.956 -3.173 557 H THR 77 H THR 77 -13.935 -7.595 -6.243 558 HA THR 77 HA THR 77 -14.121 -10.514 -6.290 559 HB THR 77 HB THR 77 -15.790 -10.471 -8.105 560 HG1 THR 77 1HG THR 77 -16.302 -8.630 -8.996 561 HG21 THR 77 3HG2 THR 77 -16.531 -10.797 -5.796 562 HG22 THR 77 1HG2 THR 77 -17.740 -9.925 -6.738 563 HG23 THR 77 2HG2 THR 77 -16.709 -9.052 -5.605 564 H GLY 78 H GLY 78 -11.768 -9.552 -6.697 565 HA2 GLY 78 2HA GLY 78 -10.769 -10.401 -9.025 566 HA3 GLY 78 1HA GLY 78 -11.345 -8.803 -9.476 567 H ASN 79 H ASN 79 -9.799 -9.917 -6.476 568 HA ASN 79 HA ASN 79 -8.019 -9.089 -5.314 569 HB2 ASN 79 2HB ASN 79 -6.882 -8.811 -8.102 570 HB3 ASN 79 1HB ASN 79 -5.952 -8.852 -6.609 571 HD21 ASN 79 1HD2 ASN 79 -5.654 -10.786 -5.546 572 HD22 ASN 79 2HD2 ASN 79 -6.022 -12.312 -6.266 573 H THR 80 H THR 80 -9.970 -7.230 -5.659 574 HA THR 80 HA THR 80 -9.115 -4.784 -6.812 575 HB THR 80 HB THR 80 -11.242 -5.340 -4.729 576 HG1 THR 80 1HG THR 80 -12.471 -5.855 -6.383 577 HG21 THR 80 3HG2 THR 80 -12.212 -3.193 -5.373 578 HG22 THR 80 1HG2 THR 80 -10.860 -2.898 -6.465 579 HG23 THR 80 2HG2 THR 80 -10.585 -2.977 -4.725 580 H ILE 81 H ILE 81 -8.517 -2.856 -5.807 581 HA ILE 81 HA ILE 81 -7.347 -3.084 -3.108 582 HB ILE 81 HB ILE 81 -6.420 -1.420 -5.459 583 HG12 ILE 81 2HG1 ILE 81 -5.105 -3.665 -3.921 584 HG13 ILE 81 1HG1 ILE 81 -5.718 -3.753 -5.568 585 HG21 ILE 81 1HG2 ILE 81 -5.340 -1.453 -2.642 586 HG22 ILE 81 2HG2 ILE 81 -6.265 -0.142 -3.375 587 HG23 ILE 81 3HG2 ILE 81 -4.670 -0.557 -4.005 588 HD11 ILE 81 3HD1 ILE 81 -3.362 -3.539 -5.683 589 HD12 ILE 81 1HD1 ILE 81 -3.368 -2.177 -4.563 590 HD13 ILE 81 2HD1 ILE 81 -4.052 -1.992 -6.179 591 H CYS 82 H CYS 82 -8.478 -1.913 -1.659 592 HA CYS 82 HA CYS 82 -10.083 0.311 -2.691 593 HB2 CYS 82 2HB CYS 82 -10.371 -1.288 -0.159 594 HB3 CYS 82 1HB CYS 82 -11.384 0.087 -0.585 595 HG CYS 82 HG CYS 82 -11.164 -2.706 -2.544 596 H LEU 83 H LEU 83 -9.805 2.326 -2.114 597 HA LEU 83 HA LEU 83 -7.831 2.941 -0.028 598 HB2 LEU 83 2HB LEU 83 -7.009 3.886 -1.975 599 HB3 LEU 83 1HB LEU 83 -8.603 4.263 -2.592 600 HG LEU 83 HG LEU 83 -8.801 6.174 -1.151 601 HD11 LEU 83 1HD1 LEU 83 -7.518 5.036 0.762 602 HD12 LEU 83 2HD1 LEU 83 -7.346 6.779 0.558 603 HD13 LEU 83 3HD1 LEU 83 -6.073 5.693 -0.008 604 HD21 LEU 83 3HD2 LEU 83 -6.220 5.930 -2.650 605 HD22 LEU 83 1HD2 LEU 83 -6.661 7.428 -1.827 606 HD23 LEU 83 2HD2 LEU 83 -7.697 6.785 -3.101 607 H PHE 84 H PHE 84 -9.002 3.188 1.818 608 HA PHE 84 HA PHE 84 -11.487 4.720 1.723 609 HB2 PHE 84 2HB PHE 84 -11.074 2.455 3.005 610 HB3 PHE 84 1HB PHE 84 -10.408 3.517 4.239 611 HD1 PHE 84 1HD PHE 84 -11.948 5.552 4.892 612 HD2 PHE 84 2HD PHE 84 -13.316 1.965 3.055 613 HE1 PHE 84 1HE PHE 84 -14.220 5.991 5.734 614 HE2 PHE 84 2HE PHE 84 -15.588 2.398 3.892 615 HZ PHE 84 HZ PHE 84 -16.042 4.413 5.234 616 H ARG 85 H ARG 85 -11.520 6.815 2.224 617 HA ARG 85 HA ARG 85 -9.204 7.929 3.664 618 HB2 ARG 85 2HB ARG 85 -11.068 9.800 2.349 619 HB3 ARG 85 1HB ARG 85 -9.310 9.781 2.371 620 HG2 ARG 85 2HG ARG 85 -9.290 8.031 0.678 621 HG3 ARG 85 1HG ARG 85 -11.064 8.037 0.656 622 HD2 ARG 85 2HD ARG 85 -9.193 10.240 -0.195 623 HD3 ARG 85 1HD ARG 85 -10.339 9.343 -1.194 624 HE ARG 85 HE ARG 85 -11.691 10.691 0.894 625 HH11 ARG 85 1HH1 ARG 85 -10.090 11.250 -2.150 626 HH12 ARG 85 2HH1 ARG 85 -11.009 12.672 -2.520 627 HH21 ARG 85 1HH2 ARG 85 -12.904 12.562 0.418 628 HH22 ARG 85 2HH2 ARG 85 -12.609 13.417 -1.060 629 H LEU 86 H LEU 86 -9.958 7.431 5.722 630 HA LEU 86 HA LEU 86 -12.195 7.555 7.061 631 HB2 LEU 86 2HB LEU 86 -10.381 7.252 8.418 632 HB3 LEU 86 1HB LEU 86 -9.512 8.618 7.750 633 HG LEU 86 HG LEU 86 -11.048 10.137 9.001 634 HD11 LEU 86 1HD1 LEU 86 -12.935 8.612 9.255 635 HD12 LEU 86 2HD1 LEU 86 -12.382 9.205 10.821 636 HD13 LEU 86 3HD1 LEU 86 -11.965 7.572 10.300 637 HD21 LEU 86 3HD2 LEU 86 -9.445 8.143 10.592 638 HD22 LEU 86 1HD2 LEU 86 -10.026 9.691 11.206 639 HD23 LEU 86 2HD2 LEU 86 -8.863 9.650 9.881 640 H VAL 87 H VAL 87 -10.426 10.625 6.621 641 HA VAL 87 HA VAL 87 -12.058 12.437 7.712 642 HB VAL 87 HB VAL 87 -11.570 13.777 5.397 643 HG11 VAL 87 1HG1 VAL 87 -9.522 14.571 6.504 644 HG12 VAL 87 2HG1 VAL 87 -9.641 13.236 7.652 645 HG13 VAL 87 3HG1 VAL 87 -10.890 14.480 7.614 646 HG21 VAL 87 3HG2 VAL 87 -9.558 11.547 5.608 647 HG22 VAL 87 1HG2 VAL 87 -9.288 13.029 4.688 648 HG23 VAL 87 2HG2 VAL 87 -10.597 11.938 4.233 649 H ASP 88 H ASP 88 -12.423 11.926 4.217 650 HA ASP 88 HA ASP 88 -15.162 12.803 4.370 651 HB2 ASP 88 2HB ASP 88 -13.348 12.030 2.094 652 HB3 ASP 88 1HB ASP 88 -15.055 12.398 1.848 653 H ASN 89 H ASN 89 -13.775 9.990 5.074 654 HA ASN 89 HA ASN 89 -14.404 7.810 5.177 655 HB2 ASN 89 2HB ASN 89 -17.166 8.998 4.894 656 HB3 ASN 89 1HB ASN 89 -16.794 7.380 5.481 657 HD21 ASN 89 1HD2 ASN 89 -15.883 7.123 7.516 658 HD22 ASN 89 2HD2 ASN 89 -15.895 8.387 8.693 659 H GLU 90 H GLU 90 -13.807 8.915 2.535 660 HA GLU 90 HA GLU 90 -15.623 7.759 0.652 661 HB2 GLU 90 2HB GLU 90 -12.766 8.665 0.272 662 HB3 GLU 90 1HB GLU 90 -13.897 8.284 -1.018 663 HG2 GLU 90 2HG GLU 90 -14.319 10.458 1.003 664 HG3 GLU 90 1HG GLU 90 -13.595 10.704 -0.582 665 H GLN 91 H GLN 91 -15.061 6.051 -0.856 666 HA GLN 91 HA GLN 91 -13.031 4.168 0.055 667 HB2 GLN 91 2HB GLN 91 -15.163 3.543 1.187 668 HB3 GLN 91 1HB GLN 91 -15.896 3.326 -0.397 669 HG2 GLN 91 2HG GLN 91 -13.395 1.846 0.218 670 HG3 GLN 91 1HG GLN 91 -14.902 1.301 0.954 671 HE21 GLN 91 1HE2 GLN 91 -16.568 0.547 -0.382 672 HE22 GLN 91 2HE2 GLN 91 -16.268 0.029 -2.001 673 H LEU 92 H LEU 92 -11.875 4.511 -1.805 674 HA LEU 92 HA LEU 92 -13.113 4.279 -4.398 675 HB2 LEU 92 2HB LEU 92 -10.191 4.417 -3.635 676 HB3 LEU 92 1HB LEU 92 -10.816 4.519 -5.266 677 HG LEU 92 HG LEU 92 -10.280 6.725 -4.630 678 HD11 LEU 92 1HD1 LEU 92 -12.381 6.608 -5.797 679 HD12 LEU 92 2HD1 LEU 92 -12.445 7.886 -4.583 680 HD13 LEU 92 3HD1 LEU 92 -13.244 6.343 -4.282 681 HD21 LEU 92 3HD2 LEU 92 -11.939 6.459 -2.140 682 HD22 LEU 92 1HD2 LEU 92 -10.875 7.786 -2.600 683 HD23 LEU 92 2HD2 LEU 92 -10.193 6.216 -2.176 684 H ASN 93 H ASN 93 -12.940 2.508 -5.801 685 HA ASN 93 HA ASN 93 -11.749 0.101 -4.591 686 HB2 ASN 93 2HB ASN 93 -13.568 -1.140 -5.938 687 HB3 ASN 93 1HB ASN 93 -14.035 -0.332 -4.447 688 HD21 ASN 93 1HD2 ASN 93 -15.251 1.567 -4.552 689 HD22 ASN 93 2HD2 ASN 93 -16.107 2.022 -5.983 690 H LEU 94 H LEU 94 -9.842 0.209 -5.717 691 HA LEU 94 HA LEU 94 -9.755 0.376 -8.583 692 HB2 LEU 94 2HB LEU 94 -7.933 1.014 -6.826 693 HB3 LEU 94 1HB LEU 94 -7.549 -0.697 -6.837 694 HG LEU 94 HG LEU 94 -7.628 0.688 -9.461 695 HD11 LEU 94 1HD1 LEU 94 -5.283 1.427 -9.144 696 HD12 LEU 94 2HD1 LEU 94 -5.434 1.057 -7.425 697 HD13 LEU 94 3HD1 LEU 94 -6.434 2.317 -8.146 698 HD21 LEU 94 3HD2 LEU 94 -7.178 -1.740 -9.161 699 HD22 LEU 94 1HD2 LEU 94 -5.717 -1.315 -8.269 700 HD23 LEU 94 2HD2 LEU 94 -5.879 -0.865 -9.969 701 H GLU 95 H GLU 95 -11.322 -1.308 -8.977 702 HA GLU 95 HA GLU 95 -10.784 -4.009 -8.157 703 HB2 GLU 95 2HB GLU 95 -12.820 -3.044 -10.156 704 HB3 GLU 95 1HB GLU 95 -12.816 -4.576 -9.292 705 HG2 GLU 95 2HG GLU 95 -13.265 -3.507 -7.225 706 HG3 GLU 95 1HG GLU 95 -13.013 -1.909 -7.928 707 H ASP 96 H ASP 96 -11.615 -5.461 -10.333 708 HA ASP 96 HA ASP 96 -9.262 -6.121 -11.608 709 HB2 ASP 96 2HB ASP 96 -11.127 -7.648 -11.559 710 HB3 ASP 96 1HB ASP 96 -12.110 -6.550 -12.523 711 H GLU 97 H GLU 97 -11.719 -3.807 -12.645 712 HA GLU 97 HA GLU 97 -10.870 -3.405 -15.271 713 HB2 GLU 97 2HB GLU 97 -12.013 -1.374 -13.340 714 HB3 GLU 97 1HB GLU 97 -11.919 -1.174 -15.085 715 HG2 GLU 97 2HG GLU 97 -13.406 -3.083 -15.391 716 HG3 GLU 97 1HG GLU 97 -13.496 -3.296 -13.643 717 H ASP 98 H ASP 98 -9.287 -2.768 -12.374 718 HA ASP 98 HA ASP 98 -7.248 -1.175 -13.758 719 HB2 ASP 98 2HB ASP 98 -8.266 -0.760 -10.934 720 HB3 ASP 98 1HB ASP 98 -6.874 0.067 -11.637 721 H ILE 99 H ILE 99 -7.976 -3.912 -11.883 722 HA ILE 99 HA ILE 99 -5.304 -4.201 -10.766 723 HB ILE 99 HB ILE 99 -7.767 -5.939 -10.567 724 HG12 ILE 99 2HG1 ILE 99 -7.707 -3.764 -9.329 725 HG13 ILE 99 1HG1 ILE 99 -7.910 -5.182 -8.312 726 HG21 ILE 99 1HG2 ILE 99 -5.020 -6.370 -9.412 727 HG22 ILE 99 2HG2 ILE 99 -5.934 -7.450 -10.467 728 HG23 ILE 99 3HG2 ILE 99 -6.469 -7.172 -8.807 729 HD11 ILE 99 3HD1 ILE 99 -5.510 -5.081 -7.764 730 HD12 ILE 99 1HD1 ILE 99 -6.399 -3.640 -7.272 731 HD13 ILE 99 2HD1 ILE 99 -5.384 -3.601 -8.715 732 H GLU 100 H GLU 100 -7.244 -5.428 -13.395 733 HA GLU 100 HA GLU 100 -5.926 -7.761 -14.064 734 HB2 GLU 100 2HB GLU 100 -7.971 -6.936 -15.177 735 HB3 GLU 100 1HB GLU 100 -7.024 -5.689 -15.973 736 HG2 GLU 100 2HG GLU 100 -7.449 -7.510 -17.491 737 HG3 GLU 100 1HG GLU 100 -5.728 -7.417 -17.124 738 H SER 101 H SER 101 -5.148 -4.448 -15.082 739 HA SER 101 HA SER 101 -2.431 -5.379 -15.742 740 HB2 SER 101 2HB SER 101 -3.710 -4.793 -17.783 741 HB3 SER 101 1HB SER 101 -3.980 -3.175 -17.132 742 HG SER 101 HG SER 101 -1.489 -3.303 -16.974 743 H ILE 102 H ILE 102 -3.133 -4.539 -13.199 744 HA ILE 102 HA ILE 102 -2.763 -1.802 -12.696 745 HB ILE 102 HB ILE 102 -3.705 -3.320 -11.028 746 HG12 ILE 102 2HG1 ILE 102 -2.302 -2.516 -9.066 747 HG13 ILE 102 1HG1 ILE 102 -1.187 -1.845 -10.250 748 HG21 ILE 102 1HG2 ILE 102 -2.123 -4.746 -9.703 749 HG22 ILE 102 2HG2 ILE 102 -0.913 -4.466 -10.958 750 HG23 ILE 102 3HG2 ILE 102 -2.418 -5.302 -11.350 751 HD11 ILE 102 3HD1 ILE 102 -4.092 -1.115 -10.125 752 HD12 ILE 102 1HD1 ILE 102 -2.820 -0.334 -11.060 753 HD13 ILE 102 2HD1 ILE 102 -2.817 -0.221 -9.299 754 H ASP 103 H ASP 103 -1.002 -0.591 -12.185 755 HA ASP 103 HA ASP 103 1.638 -1.857 -12.259 756 HB2 ASP 103 2HB ASP 103 0.960 0.687 -13.744 757 HB3 ASP 103 1HB ASP 103 2.532 -0.097 -13.675 758 H ALA 104 H ALA 104 3.256 -0.710 -11.067 759 HA ALA 104 HA ALA 104 2.453 0.375 -8.676 760 HB1 ALA 104 1HB ALA 104 4.739 1.266 -8.453 761 HB2 ALA 104 2HB ALA 104 5.025 0.892 -10.153 762 HB3 ALA 104 3HB ALA 104 4.697 -0.407 -9.004 763 H THR 105 H THR 105 2.956 1.964 -11.743 764 HA THR 105 HA THR 105 2.838 4.640 -10.848 765 HB THR 105 HB THR 105 2.051 3.484 -13.529 766 HG1 THR 105 1HG THR 105 4.466 4.704 -12.621 767 HG21 THR 105 3HG2 THR 105 1.036 5.636 -13.282 768 HG22 THR 105 1HG2 THR 105 2.443 5.813 -14.332 769 HG23 THR 105 2HG2 THR 105 2.534 6.322 -12.645 770 H LYS 106 H LYS 106 0.359 2.432 -12.101 771 HA LYS 106 HA LYS 106 -1.797 4.210 -12.010 772 HB2 LYS 106 2HB LYS 106 -1.845 1.207 -11.649 773 HB3 LYS 106 1HB LYS 106 -3.220 2.219 -12.078 774 HG2 LYS 106 2HG LYS 106 -2.200 2.796 -14.182 775 HG3 LYS 106 1HG LYS 106 -0.731 1.922 -13.746 776 HD2 LYS 106 2HD LYS 106 -1.995 0.520 -15.210 777 HD3 LYS 106 1HD LYS 106 -2.128 -0.158 -13.587 778 HE2 LYS 106 2HE LYS 106 -4.317 0.839 -13.314 779 HE3 LYS 106 1HE LYS 106 -4.180 1.632 -14.884 780 HZ1 LYS 106 3HZ LYS 106 -4.106 -0.554 -15.929 781 HZ2 LYS 106 1HZ LYS 106 -5.529 -0.354 -15.034 782 HZ3 LYS 106 2HZ LYS 106 -4.269 -1.302 -14.420 783 H LEU 107 H LEU 107 -0.915 1.681 -9.624 784 HA LEU 107 HA LEU 107 -2.834 2.269 -7.722 785 HB2 LEU 107 2HB LEU 107 -0.599 0.621 -7.853 786 HB3 LEU 107 1HB LEU 107 -0.243 1.689 -6.513 787 HG LEU 107 HG LEU 107 -2.454 -0.322 -6.777 788 HD11 LEU 107 1HD1 LEU 107 -0.528 -1.192 -5.745 789 HD12 LEU 107 2HD1 LEU 107 -1.631 -0.814 -4.426 790 HD13 LEU 107 3HD1 LEU 107 -0.283 0.266 -4.784 791 HD21 LEU 107 3HD2 LEU 107 -2.393 1.987 -4.836 792 HD22 LEU 107 1HD2 LEU 107 -3.475 0.596 -4.733 793 HD23 LEU 107 2HD2 LEU 107 -3.593 1.706 -6.097 794 H SER 108 H SER 108 0.520 3.479 -7.814 795 HA SER 108 HA SER 108 0.315 5.299 -5.715 796 HB2 SER 108 2HB SER 108 2.046 5.452 -8.194 797 HB3 SER 108 1HB SER 108 2.285 6.408 -6.731 798 HG SER 108 HG SER 108 2.898 4.631 -5.647 799 H ARG 109 H ARG 109 -0.737 5.536 -9.024 800 HA ARG 109 HA ARG 109 -1.073 8.353 -9.083 801 HB2 ARG 109 2HB ARG 109 -0.881 6.937 -11.119 802 HB3 ARG 109 1HB ARG 109 -2.445 6.234 -10.750 803 HG2 ARG 109 2HG ARG 109 -2.144 9.189 -11.114 804 HG3 ARG 109 1HG ARG 109 -2.306 8.111 -12.502 805 HD2 ARG 109 2HD ARG 109 -4.382 7.201 -11.390 806 HD3 ARG 109 1HD ARG 109 -4.252 8.537 -10.245 807 HE ARG 109 HE ARG 109 -4.189 9.730 -12.700 808 HH11 ARG 109 1HH1 ARG 109 -6.384 7.566 -11.071 809 HH12 ARG 109 2HH1 ARG 109 -7.788 8.174 -11.884 810 HH21 ARG 109 1HH2 ARG 109 -6.034 10.535 -13.773 811 HH22 ARG 109 2HH2 ARG 109 -7.589 9.860 -13.418 812 H PHE 110 H PHE 110 -3.545 5.800 -9.143 813 HA PHE 110 HA PHE 110 -5.773 7.227 -8.571 814 HB2 PHE 110 2HB PHE 110 -4.940 4.459 -7.780 815 HB3 PHE 110 1HB PHE 110 -6.459 5.115 -7.166 816 HD1 PHE 110 2HD PHE 110 -4.636 4.055 -10.167 817 HD2 PHE 110 1HD PHE 110 -8.337 5.459 -8.607 818 HE1 PHE 110 2HE PHE 110 -5.750 3.439 -12.270 819 HE2 PHE 110 1HE PHE 110 -9.461 4.845 -10.709 820 HZ PHE 110 HZ PHE 110 -8.167 3.834 -12.544 821 H ILE 111 H ILE 111 -3.357 6.104 -6.245 822 HA ILE 111 HA ILE 111 -4.666 7.061 -3.929 823 HB ILE 111 HB ILE 111 -1.716 6.646 -4.459 824 HG12 ILE 111 2HG1 ILE 111 -3.575 4.934 -2.818 825 HG13 ILE 111 1HG1 ILE 111 -3.349 4.678 -4.541 826 HG21 ILE 111 1HG2 ILE 111 -1.465 6.669 -2.015 827 HG22 ILE 111 2HG2 ILE 111 -3.157 7.132 -1.856 828 HG23 ILE 111 3HG2 ILE 111 -2.014 8.224 -2.643 829 HD11 ILE 111 3HD1 ILE 111 -1.182 4.579 -2.464 830 HD12 ILE 111 1HD1 ILE 111 -0.983 4.278 -4.190 831 HD13 ILE 111 2HD1 ILE 111 -1.963 3.185 -3.212 832 H GLU 112 H GLU 112 -1.986 8.432 -5.820 833 HA GLU 112 HA GLU 112 -1.773 10.881 -4.549 834 HB2 GLU 112 2HB GLU 112 -0.245 9.950 -6.325 835 HB3 GLU 112 1HB GLU 112 -1.457 10.409 -7.519 836 HG2 GLU 112 2HG GLU 112 -1.225 12.760 -6.769 837 HG3 GLU 112 1HG GLU 112 0.084 12.253 -5.703 838 H ILE 113 H ILE 113 -4.271 9.646 -6.481 839 HA ILE 113 HA ILE 113 -5.320 12.246 -7.237 840 HB ILE 113 HB ILE 113 -5.775 9.452 -8.077 841 HG12 ILE 113 2HG1 ILE 113 -5.910 10.498 -10.284 842 HG13 ILE 113 1HG1 ILE 113 -5.911 12.095 -9.541 843 HG21 ILE 113 1HG2 ILE 113 -7.995 9.839 -7.373 844 HG22 ILE 113 2HG2 ILE 113 -7.968 10.047 -9.122 845 HG23 ILE 113 3HG2 ILE 113 -8.009 11.460 -8.067 846 HD11 ILE 113 3HD1 ILE 113 -3.664 10.098 -9.414 847 HD12 ILE 113 1HD1 ILE 113 -3.659 11.712 -8.701 848 HD13 ILE 113 2HD1 ILE 113 -3.728 11.522 -10.454 849 H ASN 114 H ASN 114 -6.058 9.585 -5.028 850 HA ASN 114 HA ASN 114 -8.198 11.264 -3.905 851 HB2 ASN 114 2HB ASN 114 -8.268 8.264 -4.253 852 HB3 ASN 114 1HB ASN 114 -9.465 9.205 -3.364 853 HD21 ASN 114 1HD2 ASN 114 -9.661 7.521 -5.802 854 HD22 ASN 114 2HD2 ASN 114 -10.383 8.540 -6.994 855 H SER 115 H SER 115 -5.410 11.015 -3.050 856 HA SER 115 HA SER 115 -5.524 9.500 -0.584 857 HB2 SER 115 2HB SER 115 -3.237 10.302 -0.225 858 HB3 SER 115 1HB SER 115 -3.412 9.672 -1.863 859 HG SER 115 HG SER 115 -2.620 11.544 -2.405 860 H LEU 116 H LEU 116 -7.550 11.361 -0.718 861 HA LEU 116 HA LEU 116 -6.739 13.631 0.931 862 HB2 LEU 116 2HB LEU 116 -9.446 13.022 -0.240 863 HB3 LEU 116 1HB LEU 116 -8.912 14.543 0.453 864 HG LEU 116 HG LEU 116 -7.877 13.302 -2.096 865 HD11 LEU 116 1HD1 LEU 116 -10.126 14.175 -2.344 866 HD12 LEU 116 2HD1 LEU 116 -8.970 15.213 -3.179 867 HD13 LEU 116 3HD1 LEU 116 -9.632 15.706 -1.621 868 HD21 LEU 116 3HD2 LEU 116 -6.121 14.542 -0.966 869 HD22 LEU 116 1HD2 LEU 116 -7.197 15.924 -0.767 870 HD23 LEU 116 2HD2 LEU 116 -6.679 15.435 -2.380 Start of MODEL 17 1 H GLU 1 H GLU 1 14.699 18.649 8.302 2 HA GLU 1 HA GLU 1 13.720 18.616 10.961 3 HB2 GLU 1 2HB GLU 1 11.273 18.865 10.518 4 HB3 GLU 1 1HB GLU 1 12.183 20.361 10.361 5 HG2 GLU 1 2HG GLU 1 12.201 20.052 7.913 6 HG3 GLU 1 1HG GLU 1 11.198 18.616 8.117 7 H VAL 2 H VAL 2 13.804 17.462 7.744 8 HA VAL 2 HA VAL 2 12.746 14.855 8.633 9 HB VAL 2 HB VAL 2 12.233 14.391 6.248 10 HG11 VAL 2 1HG1 VAL 2 10.227 15.772 6.138 11 HG12 VAL 2 2HG1 VAL 2 10.892 16.852 7.363 12 HG13 VAL 2 3HG1 VAL 2 10.498 15.185 7.779 13 HG21 VAL 2 3HG2 VAL 2 12.924 17.304 5.870 14 HG22 VAL 2 1HG2 VAL 2 12.157 16.269 4.664 15 HG23 VAL 2 2HG2 VAL 2 13.800 15.925 5.205 16 H GLU 3 H GLU 3 15.522 16.082 8.642 17 HA GLU 3 HA GLU 3 17.669 15.421 8.306 18 HB2 GLU 3 2HB GLU 3 16.359 12.742 7.804 19 HB3 GLU 3 1HB GLU 3 18.076 12.992 8.086 20 HG2 GLU 3 2HG GLU 3 15.897 13.679 10.044 21 HG3 GLU 3 1HG GLU 3 16.857 12.200 10.076 22 H LYS 4 H LYS 4 16.236 16.518 6.078 23 HA LYS 4 HA LYS 4 16.491 16.919 3.859 24 HB2 LYS 4 2HB LYS 4 18.866 17.078 4.454 25 HB3 LYS 4 1HB LYS 4 19.048 15.344 4.222 26 HG2 LYS 4 2HG LYS 4 18.512 15.598 1.854 27 HG3 LYS 4 1HG LYS 4 18.311 17.335 2.084 28 HD2 LYS 4 2HD LYS 4 20.653 17.517 2.767 29 HD3 LYS 4 1HD LYS 4 20.854 15.778 2.550 30 HE2 LYS 4 2HE LYS 4 20.343 16.005 0.178 31 HE3 LYS 4 1HE LYS 4 20.098 17.738 0.386 32 HZ1 LYS 4 3HZ LYS 4 22.421 17.937 1.055 33 HZ2 LYS 4 1HZ LYS 4 22.288 17.277 -0.498 34 HZ3 LYS 4 2HZ LYS 4 22.650 16.278 0.818 35 H SER 5 H SER 5 18.184 13.833 3.668 36 HA SER 5 HA SER 5 17.808 12.009 2.355 37 HB2 SER 5 2HB SER 5 15.651 10.875 2.774 38 HB3 SER 5 1HB SER 5 16.386 11.462 4.264 39 HG SER 5 HG SER 5 13.982 11.913 3.548 40 H SER 6 H SER 6 18.136 13.206 0.388 41 HA SER 6 HA SER 6 15.703 13.897 -1.091 42 HB2 SER 6 2HB SER 6 18.612 14.452 -1.727 43 HB3 SER 6 1HB SER 6 17.240 14.992 -2.694 44 HG SER 6 HG SER 6 17.827 15.715 -0.013 45 H ASP 7 H ASP 7 16.466 11.133 -0.578 46 HA ASP 7 HA ASP 7 17.537 10.062 -3.022 47 HB2 ASP 7 2HB ASP 7 16.156 8.658 -0.723 48 HB3 ASP 7 1HB ASP 7 17.054 7.872 -2.018 49 H GLY 8 H GLY 8 14.331 10.134 -1.479 50 HA2 GLY 8 2HA GLY 8 12.721 10.651 -3.542 51 HA3 GLY 8 1HA GLY 8 13.110 8.969 -3.850 52 HA PRO 9 HA PRO 9 9.522 7.999 -1.412 53 HB2 PRO 9 2HB PRO 9 10.871 5.419 -0.878 54 HB3 PRO 9 1HB PRO 9 9.303 5.736 -1.624 55 HG2 PRO 9 2HG PRO 9 11.386 4.922 -3.084 56 HG3 PRO 9 1HG PRO 9 10.221 6.100 -3.717 57 HD2 PRO 9 2HD PRO 9 12.969 6.551 -2.614 58 HD3 PRO 9 1HD PRO 9 12.175 7.312 -4.009 59 H GLY 10 H GLY 10 12.302 6.302 0.035 60 HA2 GLY 10 2HA GLY 10 13.179 6.358 2.157 61 HA3 GLY 10 1HA GLY 10 12.524 7.983 2.296 62 H ALA 11 H ALA 11 11.757 4.556 2.642 63 HA ALA 11 HA ALA 11 10.194 5.055 4.985 64 HB1 ALA 11 1HB ALA 11 8.071 4.156 4.141 65 HB2 ALA 11 2HB ALA 11 8.744 4.113 2.511 66 HB3 ALA 11 3HB ALA 11 8.516 5.658 3.331 67 H ALA 12 H ALA 12 10.134 2.599 2.408 68 HA ALA 12 HA ALA 12 10.571 0.372 2.404 69 HB1 ALA 12 1HB ALA 12 12.410 0.930 4.716 70 HB2 ALA 12 2HB ALA 12 12.819 1.271 3.035 71 HB3 ALA 12 3HB ALA 12 12.510 -0.390 3.549 72 H GLN 13 H GLN 13 8.588 -0.417 2.995 73 HA GLN 13 HA GLN 13 8.436 -1.867 5.422 74 HB2 GLN 13 2HB GLN 13 6.313 -0.639 6.217 75 HB3 GLN 13 1HB GLN 13 7.875 0.086 6.575 76 HG2 GLN 13 2HG GLN 13 7.536 1.452 4.448 77 HG3 GLN 13 1HG GLN 13 5.859 0.911 4.521 78 HE21 GLN 13 1HE2 GLN 13 7.728 1.479 7.397 79 HE22 GLN 13 2HE2 GLN 13 6.899 2.911 7.897 80 H GLU 14 H GLU 14 6.247 -2.938 5.656 81 HA GLU 14 HA GLU 14 5.125 -3.406 2.972 82 HB2 GLU 14 2HB GLU 14 4.733 -5.689 3.594 83 HB3 GLU 14 1HB GLU 14 6.404 -5.302 3.980 84 HG2 GLU 14 2HG GLU 14 5.726 -4.937 6.331 85 HG3 GLU 14 1HG GLU 14 4.101 -5.473 5.902 86 HA PRO 15 HA PRO 15 1.099 -2.282 4.368 87 HB2 PRO 15 2HB PRO 15 -0.492 -4.111 3.115 88 HB3 PRO 15 1HB PRO 15 0.271 -2.745 2.291 89 HG2 PRO 15 2HG PRO 15 1.100 -5.609 2.386 90 HG3 PRO 15 1HG PRO 15 1.139 -4.469 1.029 91 HD2 PRO 15 2HD PRO 15 3.342 -5.130 2.477 92 HD3 PRO 15 1HD PRO 15 3.133 -3.552 1.691 93 H THR 16 H THR 16 -0.620 -2.808 5.751 94 HA THR 16 HA THR 16 0.010 -4.697 7.786 95 HB THR 16 HB THR 16 -2.572 -3.178 7.364 96 HG1 THR 16 1HG THR 16 -1.453 -1.506 8.002 97 HG21 THR 16 3HG2 THR 16 -2.822 -3.487 9.809 98 HG22 THR 16 1HG2 THR 16 -1.401 -4.531 9.793 99 HG23 THR 16 2HG2 THR 16 -2.856 -5.010 8.919 100 H TRP 17 H TRP 17 -1.186 -6.516 8.457 101 HA TRP 17 HA TRP 17 -2.459 -7.946 6.246 102 HB2 TRP 17 2HB TRP 17 -1.388 -8.893 8.912 103 HB3 TRP 17 1HB TRP 17 -2.187 -9.942 7.746 104 HD1 TRP 17 HD TRP 17 1.079 -8.051 8.333 105 HE1 TRP 17 1HE TRP 17 2.844 -8.916 6.670 106 HE3 TRP 17 3HE TRP 17 -1.917 -11.011 5.434 107 HZ2 TRP 17 2HZ TRP 17 2.950 -10.629 4.427 108 HZ3 TRP 17 3HZ TRP 17 -0.905 -12.229 3.550 109 HH2 TRP 17 HH TRP 17 1.479 -12.039 3.058 110 H LEU 18 H LEU 18 -4.481 -6.897 6.305 111 HA LEU 18 HA LEU 18 -6.077 -6.966 8.720 112 HB2 LEU 18 2HB LEU 18 -6.907 -6.214 5.918 113 HB3 LEU 18 1HB LEU 18 -7.760 -5.839 7.403 114 HG LEU 18 HG LEU 18 -5.036 -4.772 6.671 115 HD11 LEU 18 1HD1 LEU 18 -7.745 -3.471 6.557 116 HD12 LEU 18 2HD1 LEU 18 -6.694 -3.848 5.194 117 HD13 LEU 18 3HD1 LEU 18 -6.209 -2.628 6.372 118 HD21 LEU 18 3HD2 LEU 18 -5.463 -3.220 8.561 119 HD22 LEU 18 1HD2 LEU 18 -5.279 -4.903 9.052 120 HD23 LEU 18 2HD2 LEU 18 -6.884 -4.178 8.973 121 H THR 19 H THR 19 -5.824 -9.366 8.831 122 HA THR 19 HA THR 19 -7.091 -11.057 6.940 123 HB THR 19 HB THR 19 -6.866 -12.825 8.622 124 HG1 THR 19 1HG THR 19 -7.240 -11.129 10.395 125 HG21 THR 19 3HG2 THR 19 -4.917 -12.250 7.270 126 HG22 THR 19 1HG2 THR 19 -4.427 -12.734 8.893 127 HG23 THR 19 2HG2 THR 19 -4.446 -11.027 8.450 128 H ASP 20 H ASP 20 -8.461 -8.917 9.113 129 HA ASP 20 HA ASP 20 -11.006 -10.348 8.925 130 HB2 ASP 20 2HB ASP 20 -9.820 -9.252 11.477 131 HB3 ASP 20 1HB ASP 20 -11.521 -9.678 11.301 132 H VAL 21 H VAL 21 -12.841 -9.079 8.891 133 HA VAL 21 HA VAL 21 -12.672 -6.608 7.650 134 HB VAL 21 HB VAL 21 -15.013 -7.518 9.327 135 HG11 VAL 21 1HG1 VAL 21 -16.315 -6.223 7.672 136 HG12 VAL 21 2HG1 VAL 21 -14.802 -5.682 6.944 137 HG13 VAL 21 3HG1 VAL 21 -15.198 -5.225 8.600 138 HG21 VAL 21 3HG2 VAL 21 -14.375 -8.185 6.455 139 HG22 VAL 21 1HG2 VAL 21 -15.858 -8.607 7.310 140 HG23 VAL 21 2HG2 VAL 21 -14.319 -9.307 7.813 141 HA PRO 22 HA PRO 22 -13.682 -4.587 12.025 142 HB2 PRO 22 2HB PRO 22 -12.425 -5.968 14.068 143 HB3 PRO 22 1HB PRO 22 -14.151 -6.051 13.708 144 HG2 PRO 22 2HG PRO 22 -11.952 -7.915 12.903 145 HG3 PRO 22 1HG PRO 22 -13.591 -8.294 13.469 146 HD2 PRO 22 2HD PRO 22 -12.983 -8.427 10.882 147 HD3 PRO 22 1HD PRO 22 -14.550 -7.779 11.406 148 H ALA 23 H ALA 23 -10.695 -6.526 11.815 149 HA ALA 23 HA ALA 23 -9.007 -4.530 12.865 150 HB1 ALA 23 1HB ALA 23 -8.410 -6.935 12.735 151 HB2 ALA 23 2HB ALA 23 -7.168 -5.873 12.071 152 HB3 ALA 23 3HB ALA 23 -8.240 -6.762 10.987 153 H ALA 24 H ALA 24 -10.143 -5.271 9.668 154 HA ALA 24 HA ALA 24 -8.386 -3.626 8.196 155 HB1 ALA 24 1HB ALA 24 -9.744 -5.335 7.112 156 HB2 ALA 24 2HB ALA 24 -10.085 -3.750 6.411 157 HB3 ALA 24 3HB ALA 24 -11.217 -4.472 7.556 158 H MET 25 H MET 25 -11.761 -3.058 9.166 159 HA MET 25 HA MET 25 -11.867 -0.360 8.429 160 HB2 MET 25 2HB MET 25 -13.482 -1.701 10.599 161 HB3 MET 25 1HB MET 25 -13.916 -0.255 9.700 162 HG2 MET 25 2HG MET 25 -13.953 -1.629 7.629 163 HG3 MET 25 1HG MET 25 -13.697 -3.054 8.631 164 HE1 MET 25 3HE MET 25 -15.868 0.149 9.387 165 HE2 MET 25 1HE MET 25 -17.453 -0.380 8.822 166 HE3 MET 25 2HE MET 25 -16.137 -0.150 7.670 167 H GLU 26 H GLU 26 -10.617 -1.922 11.281 168 HA GLU 26 HA GLU 26 -10.641 0.385 12.953 169 HB2 GLU 26 2HB GLU 26 -9.293 -2.282 13.071 170 HB3 GLU 26 1HB GLU 26 -8.761 -1.001 14.151 171 HG2 GLU 26 2HG GLU 26 -11.177 -0.770 14.851 172 HG3 GLU 26 1HG GLU 26 -11.467 -2.278 13.982 173 H PHE 27 H PHE 27 -8.095 -1.195 11.033 174 HA PHE 27 HA PHE 27 -6.088 0.675 11.595 175 HB2 PHE 27 2HB PHE 27 -6.507 -1.433 9.562 176 HB3 PHE 27 1HB PHE 27 -5.374 -0.159 9.120 177 HD1 PHE 27 2HD PHE 27 -6.036 -2.941 11.398 178 HD2 PHE 27 1HD PHE 27 -3.288 0.118 10.303 179 HE1 PHE 27 2HE PHE 27 -4.290 -4.037 12.739 180 HE2 PHE 27 1HE PHE 27 -1.536 -0.971 11.642 181 HZ PHE 27 HZ PHE 27 -2.035 -3.052 12.863 182 H ILE 28 H ILE 28 -8.704 0.650 9.272 183 HA ILE 28 HA ILE 28 -7.808 2.942 7.804 184 HB ILE 28 HB ILE 28 -10.455 1.517 7.983 185 HG12 ILE 28 2HG1 ILE 28 -8.731 1.971 5.553 186 HG13 ILE 28 1HG1 ILE 28 -8.424 0.635 6.666 187 HG21 ILE 28 1HG2 ILE 28 -9.839 3.991 6.378 188 HG22 ILE 28 2HG2 ILE 28 -10.995 3.858 7.700 189 HG23 ILE 28 3HG2 ILE 28 -11.278 2.994 6.192 190 HD11 ILE 28 3HD1 ILE 28 -11.110 1.052 5.408 191 HD12 ILE 28 1HD1 ILE 28 -10.449 -0.408 6.144 192 HD13 ILE 28 2HD1 ILE 28 -9.825 0.161 4.595 193 H ALA 29 H ALA 29 -9.933 2.373 10.546 194 HA ALA 29 HA ALA 29 -10.903 5.053 10.718 195 HB1 ALA 29 1HB ALA 29 -11.798 4.340 12.904 196 HB2 ALA 29 2HB ALA 29 -10.930 2.812 12.742 197 HB3 ALA 29 3HB ALA 29 -12.215 3.224 11.605 198 H ALA 30 H ALA 30 -8.046 3.445 11.736 199 HA ALA 30 HA ALA 30 -7.413 5.495 13.729 200 HB1 ALA 30 1HB ALA 30 -6.968 3.174 14.323 201 HB2 ALA 30 2HB ALA 30 -5.471 4.104 14.255 202 HB3 ALA 30 3HB ALA 30 -5.893 3.016 12.934 203 H THR 31 H THR 31 -7.569 6.123 10.871 204 HA THR 31 HA THR 31 -5.207 7.685 10.652 205 HB THR 31 HB THR 31 -4.227 5.529 10.001 206 HG1 THR 31 1HG THR 31 -4.547 7.494 7.970 207 HG21 THR 31 3HG2 THR 31 -5.032 4.189 8.307 208 HG22 THR 31 1HG2 THR 31 -5.904 5.513 7.531 209 HG23 THR 31 2HG2 THR 31 -6.530 4.790 9.012 210 H GLU 32 H GLU 32 -5.290 9.166 8.917 211 HA GLU 32 HA GLU 32 -7.888 9.908 8.081 212 HB2 GLU 32 2HB GLU 32 -5.763 11.355 8.361 213 HB3 GLU 32 1HB GLU 32 -5.365 10.835 6.728 214 HG2 GLU 32 2HG GLU 32 -7.359 11.826 5.860 215 HG3 GLU 32 1HG GLU 32 -7.936 12.193 7.485 216 H VAL 33 H VAL 33 -5.124 8.909 6.031 217 HA VAL 33 HA VAL 33 -7.079 7.898 4.077 218 HB VAL 33 HB VAL 33 -4.176 8.531 3.561 219 HG11 VAL 33 1HG1 VAL 33 -4.876 8.516 1.202 220 HG12 VAL 33 2HG1 VAL 33 -6.501 8.032 1.701 221 HG13 VAL 33 3HG1 VAL 33 -5.129 6.955 1.986 222 HG21 VAL 33 3HG2 VAL 33 -5.270 10.574 4.197 223 HG22 VAL 33 1HG2 VAL 33 -6.629 10.223 3.127 224 HG23 VAL 33 2HG2 VAL 33 -5.038 10.576 2.448 225 H ALA 34 H ALA 34 -6.933 5.810 3.299 226 HA ALA 34 HA ALA 34 -4.780 4.106 4.294 227 HB1 ALA 34 1HB ALA 34 -6.403 3.852 6.019 228 HB2 ALA 34 2HB ALA 34 -6.450 2.392 5.027 229 HB3 ALA 34 3HB ALA 34 -7.699 3.623 4.844 230 H VAL 35 H VAL 35 -4.067 2.806 2.764 231 HA VAL 35 HA VAL 35 -5.885 2.134 0.548 232 HB VAL 35 HB VAL 35 -2.908 2.604 0.519 233 HG11 VAL 35 1HG1 VAL 35 -4.636 1.388 -1.644 234 HG12 VAL 35 2HG1 VAL 35 -3.321 0.591 -0.780 235 HG13 VAL 35 3HG1 VAL 35 -2.974 1.938 -1.862 236 HG21 VAL 35 3HG2 VAL 35 -5.268 3.817 -0.904 237 HG22 VAL 35 1HG2 VAL 35 -3.583 4.205 -1.264 238 HG23 VAL 35 2HG2 VAL 35 -4.255 4.579 0.326 239 H ILE 36 H ILE 36 -6.310 0.077 0.223 240 HA ILE 36 HA ILE 36 -4.586 -1.928 1.502 241 HB ILE 36 HB ILE 36 -7.596 -1.852 1.680 242 HG12 ILE 36 2HG1 ILE 36 -5.700 -1.737 4.000 243 HG13 ILE 36 1HG1 ILE 36 -6.063 -0.271 3.101 244 HG21 ILE 36 1HG2 ILE 36 -5.569 -3.840 2.697 245 HG22 ILE 36 2HG2 ILE 36 -6.884 -4.127 1.555 246 HG23 ILE 36 3HG2 ILE 36 -7.245 -3.774 3.245 247 HD11 ILE 36 3HD1 ILE 36 -7.475 -0.401 5.012 248 HD12 ILE 36 1HD1 ILE 36 -8.006 -2.022 4.565 249 HD13 ILE 36 2HD1 ILE 36 -8.454 -0.642 3.564 250 H GLY 37 H GLY 37 -4.237 -3.745 0.401 251 HA2 GLY 37 2HA GLY 37 -5.482 -3.971 -2.242 252 HA3 GLY 37 1HA GLY 37 -3.980 -4.730 -1.748 253 H PHE 38 H PHE 38 -7.416 -5.027 -1.914 254 HA PHE 38 HA PHE 38 -7.525 -7.433 -0.297 255 HB2 PHE 38 2HB PHE 38 -9.625 -6.118 -2.043 256 HB3 PHE 38 1HB PHE 38 -9.906 -7.482 -0.965 257 HD1 PHE 38 1HD PHE 38 -8.747 -6.921 1.497 258 HD2 PHE 38 2HD PHE 38 -10.498 -4.162 -1.224 259 HE1 PHE 38 1HE PHE 38 -9.204 -5.382 3.359 260 HE2 PHE 38 2HE PHE 38 -10.959 -2.619 0.636 261 HZ PHE 38 HZ PHE 38 -10.310 -3.226 2.929 262 H PHE 39 H PHE 39 -6.142 -8.857 -1.323 263 HA PHE 39 HA PHE 39 -6.818 -9.608 -4.085 264 HB2 PHE 39 2HB PHE 39 -4.296 -10.276 -2.576 265 HB3 PHE 39 1HB PHE 39 -4.585 -10.440 -4.307 266 HD1 PHE 39 2HD PHE 39 -5.774 -7.899 -5.034 267 HD2 PHE 39 1HD PHE 39 -2.606 -8.728 -2.317 268 HE1 PHE 39 2HE PHE 39 -4.874 -5.645 -5.404 269 HE2 PHE 39 1HE PHE 39 -1.700 -6.469 -2.682 270 HZ PHE 39 HZ PHE 39 -2.835 -4.925 -4.229 271 H GLN 40 H GLN 40 -7.307 -11.666 -4.643 272 HA GLN 40 HA GLN 40 -7.906 -13.526 -2.486 273 HB2 GLN 40 2HB GLN 40 -8.424 -13.699 -5.465 274 HB3 GLN 40 1HB GLN 40 -8.961 -14.882 -4.282 275 HG2 GLN 40 2HG GLN 40 -10.302 -13.129 -3.186 276 HG3 GLN 40 1HG GLN 40 -9.815 -12.002 -4.452 277 HE21 GLN 40 1HE2 GLN 40 -10.465 -15.381 -5.036 278 HE22 GLN 40 2HE2 GLN 40 -11.912 -15.146 -5.949 279 H ASP 41 H ASP 41 -5.329 -12.714 -4.287 280 HA ASP 41 HA ASP 41 -3.914 -15.171 -3.726 281 HB2 ASP 41 2HB ASP 41 -4.924 -15.543 -5.995 282 HB3 ASP 41 1HB ASP 41 -4.047 -14.126 -6.572 283 H LEU 42 H LEU 42 -2.082 -14.464 -2.794 284 HA LEU 42 HA LEU 42 -1.158 -11.772 -3.351 285 HB2 LEU 42 2HB LEU 42 -0.136 -13.829 -1.397 286 HB3 LEU 42 1HB LEU 42 0.435 -12.174 -1.514 287 HG LEU 42 HG LEU 42 -2.374 -12.998 -0.780 288 HD11 LEU 42 1HD1 LEU 42 -1.795 -12.232 1.458 289 HD12 LEU 42 2HD1 LEU 42 -0.148 -11.895 0.930 290 HD13 LEU 42 3HD1 LEU 42 -0.745 -13.555 0.957 291 HD21 LEU 42 3HD2 LEU 42 -2.599 -10.600 -0.161 292 HD22 LEU 42 1HD2 LEU 42 -2.400 -10.871 -1.893 293 HD23 LEU 42 2HD2 LEU 42 -1.040 -10.297 -0.925 294 H GLU 43 H GLU 43 -0.907 -13.358 -5.563 295 HA GLU 43 HA GLU 43 2.011 -13.458 -5.859 296 HB2 GLU 43 2HB GLU 43 0.077 -15.520 -6.934 297 HB3 GLU 43 1HB GLU 43 1.797 -15.458 -7.291 298 HG2 GLU 43 2HG GLU 43 2.296 -15.825 -4.935 299 HG3 GLU 43 1HG GLU 43 0.570 -15.889 -4.580 300 H ILE 44 H ILE 44 -0.480 -11.767 -6.614 301 HA ILE 44 HA ILE 44 -0.158 -11.678 -9.520 302 HB ILE 44 HB ILE 44 -1.990 -9.874 -9.265 303 HG12 ILE 44 2HG1 ILE 44 -2.704 -11.300 -6.756 304 HG13 ILE 44 1HG1 ILE 44 -1.513 -10.009 -6.665 305 HG21 ILE 44 1HG2 ILE 44 -3.711 -11.531 -9.388 306 HG22 ILE 44 2HG2 ILE 44 -2.709 -12.710 -8.540 307 HG23 ILE 44 3HG2 ILE 44 -2.269 -12.184 -10.169 308 HD11 ILE 44 3HD1 ILE 44 -3.506 -8.945 -6.210 309 HD12 ILE 44 1HD1 ILE 44 -4.392 -9.876 -7.419 310 HD13 ILE 44 2HD1 ILE 44 -3.265 -8.620 -7.928 311 HA PRO 45 HA PRO 45 2.426 -8.109 -9.837 312 HB2 PRO 45 2HB PRO 45 0.178 -6.840 -11.348 313 HB3 PRO 45 1HB PRO 45 1.884 -6.973 -11.784 314 HG2 PRO 45 2HG PRO 45 0.098 -8.554 -12.931 315 HG3 PRO 45 1HG PRO 45 1.673 -9.202 -12.437 316 HD2 PRO 45 2HD PRO 45 -1.002 -9.528 -11.146 317 HD3 PRO 45 1HD PRO 45 0.336 -10.688 -11.283 318 H ALA 46 H ALA 46 -0.922 -7.644 -8.908 319 HA ALA 46 HA ALA 46 -0.791 -4.972 -8.078 320 HB1 ALA 46 1HB ALA 46 -2.558 -7.052 -6.835 321 HB2 ALA 46 2HB ALA 46 -2.843 -6.399 -8.449 322 HB3 ALA 46 3HB ALA 46 -2.874 -5.328 -7.047 323 H VAL 47 H VAL 47 -0.027 -7.963 -6.340 324 HA VAL 47 HA VAL 47 0.097 -6.839 -3.774 325 HB VAL 47 HB VAL 47 1.875 -9.123 -4.570 326 HG11 VAL 47 1HG1 VAL 47 2.061 -8.296 -2.291 327 HG12 VAL 47 2HG1 VAL 47 1.334 -9.904 -2.308 328 HG13 VAL 47 3HG1 VAL 47 0.322 -8.481 -2.063 329 HG21 VAL 47 3HG2 VAL 47 -0.353 -9.465 -5.595 330 HG22 VAL 47 1HG2 VAL 47 -1.076 -9.318 -3.994 331 HG23 VAL 47 2HG2 VAL 47 0.025 -10.651 -4.344 332 HA PRO 48 HA PRO 48 4.927 -6.314 -4.455 333 HB2 PRO 48 2HB PRO 48 4.952 -6.007 -7.411 334 HB3 PRO 48 1HB PRO 48 6.129 -6.797 -6.352 335 HG2 PRO 48 2HG PRO 48 4.487 -8.231 -7.884 336 HG3 PRO 48 1HG PRO 48 4.913 -8.765 -6.246 337 HD2 PRO 48 2HD PRO 48 2.400 -7.491 -7.233 338 HD3 PRO 48 1HD PRO 48 2.615 -8.771 -6.031 339 H ILE 49 H ILE 49 2.766 -4.963 -6.900 340 HA ILE 49 HA ILE 49 3.839 -2.391 -7.024 341 HB ILE 49 HB ILE 49 1.190 -3.578 -7.699 342 HG12 ILE 49 2HG1 ILE 49 2.972 -2.001 -9.505 343 HG13 ILE 49 1HG1 ILE 49 3.423 -3.640 -9.053 344 HG21 ILE 49 1HG2 ILE 49 0.749 -1.234 -8.758 345 HG22 ILE 49 2HG2 ILE 49 1.782 -0.680 -7.440 346 HG23 ILE 49 3HG2 ILE 49 0.301 -1.566 -7.087 347 HD11 ILE 49 3HD1 ILE 49 1.484 -4.541 -10.059 348 HD12 ILE 49 1HD1 ILE 49 2.192 -3.413 -11.214 349 HD13 ILE 49 2HD1 ILE 49 0.775 -2.941 -10.278 350 H LEU 50 H LEU 50 1.418 -3.780 -4.857 351 HA LEU 50 HA LEU 50 0.774 -1.282 -3.621 352 HB2 LEU 50 2HB LEU 50 -0.853 -3.053 -3.540 353 HB3 LEU 50 1HB LEU 50 0.290 -4.132 -2.771 354 HG LEU 50 HG LEU 50 0.301 -2.579 -0.794 355 HD11 LEU 50 1HD1 LEU 50 -0.542 -0.596 -2.007 356 HD12 LEU 50 2HD1 LEU 50 -1.471 -0.967 -0.555 357 HD13 LEU 50 3HD1 LEU 50 -2.113 -1.383 -2.144 358 HD21 LEU 50 3HD2 LEU 50 -1.112 -4.693 -1.083 359 HD22 LEU 50 1HD2 LEU 50 -2.469 -3.594 -1.353 360 HD23 LEU 50 2HD2 LEU 50 -1.583 -3.550 0.176 361 H HIS 51 H HIS 51 2.707 -4.100 -2.621 362 HA HIS 51 HA HIS 51 3.671 -3.089 -0.221 363 HB2 HIS 51 2HB HIS 51 4.900 -4.983 -2.222 364 HB3 HIS 51 1HB HIS 51 5.711 -4.564 -0.717 365 HD1 HIS 51 1HD HIS 51 5.414 -6.393 0.900 366 HD2 HIS 51 2HD HIS 51 1.999 -5.813 -1.394 367 HE1 HIS 51 1HE HIS 51 3.740 -8.064 1.752 368 HE2 HIS 51 2HE HIS 51 1.665 -7.664 0.381 369 H SER 52 H SER 52 4.429 -2.261 -3.478 370 HA SER 52 HA SER 52 6.894 -0.892 -2.825 371 HB2 SER 52 2HB SER 52 5.276 -0.991 -5.384 372 HB3 SER 52 1HB SER 52 6.837 -0.188 -5.217 373 HG SER 52 HG SER 52 6.536 -2.610 -5.916 374 H MET 53 H MET 53 3.572 -0.006 -3.730 375 HA MET 53 HA MET 53 3.954 2.773 -3.733 376 HB2 MET 53 2HB MET 53 1.658 2.972 -3.907 377 HB3 MET 53 1HB MET 53 1.903 1.335 -4.493 378 HG2 MET 53 2HG MET 53 0.098 1.114 -3.086 379 HG3 MET 53 1HG MET 53 1.445 0.631 -2.064 380 HE1 MET 53 3HE MET 53 -0.641 2.343 0.670 381 HE2 MET 53 1HE MET 53 0.441 1.006 0.281 382 HE3 MET 53 2HE MET 53 -1.098 1.168 -0.563 383 H VAL 54 H VAL 54 3.640 0.452 -1.222 384 HA VAL 54 HA VAL 54 2.783 1.910 0.952 385 HB VAL 54 HB VAL 54 4.834 -0.284 0.774 386 HG11 VAL 54 1HG1 VAL 54 4.606 -0.560 3.192 387 HG12 VAL 54 2HG1 VAL 54 3.606 0.891 3.258 388 HG13 VAL 54 3HG1 VAL 54 5.299 1.009 2.778 389 HG21 VAL 54 3HG2 VAL 54 2.876 -1.480 1.970 390 HG22 VAL 54 1HG2 VAL 54 2.785 -1.204 0.232 391 HG23 VAL 54 2HG2 VAL 54 1.906 -0.150 1.336 392 H GLN 55 H GLN 55 6.081 1.615 -0.315 393 HA GLN 55 HA GLN 55 7.161 3.428 1.628 394 HB2 GLN 55 2HB GLN 55 8.514 2.606 -0.915 395 HB3 GLN 55 1HB GLN 55 9.232 3.006 0.642 396 HG2 GLN 55 2HG GLN 55 8.497 0.948 1.590 397 HG3 GLN 55 1HG GLN 55 7.530 0.576 0.164 398 HE21 GLN 55 1HE2 GLN 55 9.645 -0.976 1.414 399 HE22 GLN 55 2HE2 GLN 55 10.850 -1.220 0.201 400 H LYS 56 H LYS 56 5.484 3.752 -1.279 401 HA LYS 56 HA LYS 56 6.699 6.298 -2.012 402 HB2 LYS 56 2HB LYS 56 4.372 4.828 -3.265 403 HB3 LYS 56 1HB LYS 56 5.195 6.227 -3.936 404 HG2 LYS 56 2HG LYS 56 7.236 4.938 -4.184 405 HG3 LYS 56 1HG LYS 56 6.450 3.533 -3.460 406 HD2 LYS 56 2HD LYS 56 6.387 3.202 -5.805 407 HD3 LYS 56 1HD LYS 56 4.754 3.678 -5.328 408 HE2 LYS 56 2HE LYS 56 5.239 4.921 -7.274 409 HE3 LYS 56 1HE LYS 56 5.416 6.045 -5.927 410 HZ1 LYS 56 3HZ LYS 56 7.225 6.270 -7.505 411 HZ2 LYS 56 1HZ LYS 56 7.639 4.641 -7.308 412 HZ3 LYS 56 2HZ LYS 56 7.808 5.719 -6.016 413 H PHE 57 H PHE 57 4.153 5.072 -0.135 414 HA PHE 57 HA PHE 57 3.104 7.781 0.249 415 HB2 PHE 57 2HB PHE 57 1.555 5.325 -0.484 416 HB3 PHE 57 1HB PHE 57 0.800 6.595 0.474 417 HD1 PHE 57 2HD PHE 57 0.420 8.809 -0.472 418 HD2 PHE 57 1HD PHE 57 2.055 5.647 -2.806 419 HE1 PHE 57 2HE PHE 57 -0.076 10.072 -2.524 420 HE2 PHE 57 1HE PHE 57 1.564 6.907 -4.861 421 HZ PHE 57 HZ PHE 57 0.494 9.121 -4.722 422 HA PRO 58 HA PRO 58 4.242 5.424 4.221 423 HB2 PRO 58 2HB PRO 58 5.272 7.779 5.310 424 HB3 PRO 58 1HB PRO 58 6.224 6.478 4.588 425 HG2 PRO 58 2HG PRO 58 5.292 9.046 3.375 426 HG3 PRO 58 1HG PRO 58 6.845 8.208 3.179 427 HD2 PRO 58 2HD PRO 58 4.998 8.088 1.266 428 HD3 PRO 58 1HD PRO 58 5.948 6.649 1.688 429 H GLY 59 H GLY 59 3.064 8.754 3.740 430 HA2 GLY 59 2HA GLY 59 1.684 9.045 6.147 431 HA3 GLY 59 1HA GLY 59 1.273 9.869 4.648 432 H VAL 60 H VAL 60 0.707 7.550 3.119 433 HA VAL 60 HA VAL 60 -2.008 7.101 3.843 434 HB VAL 60 HB VAL 60 -0.201 5.963 1.717 435 HG11 VAL 60 1HG1 VAL 60 -1.726 4.160 2.447 436 HG12 VAL 60 2HG1 VAL 60 -2.058 4.703 0.803 437 HG13 VAL 60 3HG1 VAL 60 -3.098 5.220 2.129 438 HG21 VAL 60 3HG2 VAL 60 -1.841 7.096 0.236 439 HG22 VAL 60 1HG2 VAL 60 -0.992 8.195 1.324 440 HG23 VAL 60 2HG2 VAL 60 -2.653 7.717 1.674 441 H SER 61 H SER 61 -2.984 5.249 4.683 442 HA SER 61 HA SER 61 -1.261 3.607 6.314 443 HB2 SER 61 2HB SER 61 -3.373 4.383 7.248 444 HB3 SER 61 1HB SER 61 -4.264 3.571 5.963 445 HG SER 61 HG SER 61 -3.350 2.568 8.282 446 H PHE 62 H PHE 62 -0.112 2.221 5.103 447 HA PHE 62 HA PHE 62 -1.068 0.808 2.862 448 HB2 PHE 62 2HB PHE 62 0.951 -0.734 3.466 449 HB3 PHE 62 1HB PHE 62 1.250 0.926 2.954 450 HD1 PHE 62 2HD PHE 62 1.177 -1.349 5.846 451 HD2 PHE 62 1HD PHE 62 2.167 2.543 4.445 452 HE1 PHE 62 2HE PHE 62 2.417 -0.922 7.926 453 HE2 PHE 62 1HE PHE 62 3.406 2.980 6.524 454 HZ PHE 62 HZ PHE 62 3.534 1.245 8.268 455 H GLY 63 H GLY 63 -2.241 -0.980 2.680 456 HA2 GLY 63 2HA GLY 63 -2.382 -2.863 4.910 457 HA3 GLY 63 1HA GLY 63 -3.886 -2.110 4.399 458 H ILE 64 H ILE 64 -3.471 -4.864 4.351 459 HA ILE 64 HA ILE 64 -4.106 -5.419 1.615 460 HB ILE 64 HB ILE 64 -1.481 -5.460 1.952 461 HG12 ILE 64 2HG1 ILE 64 -2.959 -7.630 0.454 462 HG13 ILE 64 1HG1 ILE 64 -2.696 -5.989 -0.124 463 HG21 ILE 64 1HG2 ILE 64 -2.274 -8.229 2.837 464 HG22 ILE 64 2HG2 ILE 64 -1.465 -7.010 3.820 465 HG23 ILE 64 3HG2 ILE 64 -0.640 -7.710 2.427 466 HD11 ILE 64 3HD1 ILE 64 -1.122 -7.489 -1.155 467 HD12 ILE 64 1HD1 ILE 64 -0.578 -8.053 0.426 468 HD13 ILE 64 2HD1 ILE 64 -0.271 -6.387 -0.070 469 H SER 65 H SER 65 -5.193 -7.393 1.385 470 HA SER 65 HA SER 65 -5.343 -9.198 3.645 471 HB2 SER 65 2HB SER 65 -6.954 -7.524 4.347 472 HB3 SER 65 1HB SER 65 -7.751 -7.589 2.776 473 HG SER 65 HG SER 65 -8.953 -9.025 3.745 474 H THR 66 H THR 66 -6.624 -11.105 3.221 475 HA THR 66 HA THR 66 -7.264 -11.586 0.403 476 HB THR 66 HB THR 66 -6.135 -13.755 0.425 477 HG1 THR 66 1HG THR 66 -5.012 -14.452 2.180 478 HG21 THR 66 3HG2 THR 66 -4.157 -11.670 1.310 479 HG22 THR 66 1HG2 THR 66 -4.949 -11.627 -0.265 480 HG23 THR 66 2HG2 THR 66 -3.915 -12.990 0.165 481 H ASP 67 H ASP 67 -8.076 -11.773 3.613 482 HA ASP 67 HA ASP 67 -9.458 -14.198 3.840 483 HB2 ASP 67 2HB ASP 67 -8.898 -12.683 5.739 484 HB3 ASP 67 1HB ASP 67 -10.142 -11.570 5.175 485 H SER 68 H SER 68 -11.541 -14.806 3.417 486 HA SER 68 HA SER 68 -12.826 -13.619 1.210 487 HB2 SER 68 2HB SER 68 -14.639 -15.241 1.656 488 HB3 SER 68 1HB SER 68 -13.047 -16.001 1.698 489 HG SER 68 HG SER 68 -13.603 -15.153 4.145 490 H GLU 69 H GLU 69 -13.720 -13.689 4.660 491 HA GLU 69 HA GLU 69 -16.100 -12.318 4.561 492 HB2 GLU 69 2HB GLU 69 -14.007 -11.943 6.697 493 HB3 GLU 69 1HB GLU 69 -15.740 -11.699 6.857 494 HG2 GLU 69 2HG GLU 69 -16.143 -14.057 6.575 495 HG3 GLU 69 1HG GLU 69 -14.430 -14.343 6.268 496 H VAL 70 H VAL 70 -12.839 -10.930 4.692 497 HA VAL 70 HA VAL 70 -13.755 -8.244 4.768 498 HB VAL 70 HB VAL 70 -11.069 -9.399 4.008 499 HG11 VAL 70 1HG1 VAL 70 -11.278 -7.280 2.890 500 HG12 VAL 70 2HG1 VAL 70 -10.208 -7.089 4.281 501 HG13 VAL 70 3HG1 VAL 70 -11.874 -6.517 4.367 502 HG21 VAL 70 3HG2 VAL 70 -10.356 -8.607 6.188 503 HG22 VAL 70 1HG2 VAL 70 -11.733 -9.696 6.357 504 HG23 VAL 70 2HG2 VAL 70 -11.962 -7.951 6.495 505 H LEU 71 H LEU 71 -12.302 -10.185 2.162 506 HA LEU 71 HA LEU 71 -12.619 -8.307 0.122 507 HB2 LEU 71 2HB LEU 71 -12.295 -11.271 0.198 508 HB3 LEU 71 1HB LEU 71 -12.725 -10.508 -1.322 509 HG LEU 71 HG LEU 71 -10.705 -9.271 -1.394 510 HD11 LEU 71 1HD1 LEU 71 -10.552 -8.530 0.881 511 HD12 LEU 71 2HD1 LEU 71 -9.048 -9.341 0.442 512 HD13 LEU 71 3HD1 LEU 71 -10.239 -10.173 1.438 513 HD21 LEU 71 3HD2 LEU 71 -10.426 -11.564 -2.077 514 HD22 LEU 71 1HD2 LEU 71 -10.158 -12.066 -0.405 515 HD23 LEU 71 2HD2 LEU 71 -8.978 -11.037 -1.218 516 H THR 72 H THR 72 -14.946 -10.083 1.818 517 HA THR 72 HA THR 72 -16.944 -9.962 -0.301 518 HB THR 72 HB THR 72 -17.154 -10.944 2.558 519 HG1 THR 72 1HG THR 72 -17.313 -13.006 1.396 520 HG21 THR 72 3HG2 THR 72 -19.139 -11.010 0.277 521 HG22 THR 72 1HG2 THR 72 -19.317 -10.170 1.816 522 HG23 THR 72 2HG2 THR 72 -19.311 -11.934 1.770 523 H HIS 73 H HIS 73 -16.254 -8.553 2.861 524 HA HIS 73 HA HIS 73 -18.565 -6.999 3.127 525 HB2 HIS 73 2HB HIS 73 -17.047 -7.389 4.996 526 HB3 HIS 73 1HB HIS 73 -15.771 -6.497 4.176 527 HD1 HIS 73 1HD HIS 73 -15.887 -3.932 4.238 528 HD2 HIS 73 2HD HIS 73 -19.062 -5.800 6.164 529 HE1 HIS 73 1HE HIS 73 -17.046 -2.118 5.542 530 HE2 HIS 73 2HE HIS 73 -18.992 -3.262 6.660 531 H TYR 74 H TYR 74 -15.508 -6.395 1.483 532 HA TYR 74 HA TYR 74 -16.411 -3.733 0.691 533 HB2 TYR 74 2HB TYR 74 -13.785 -5.179 0.335 534 HB3 TYR 74 1HB TYR 74 -14.118 -3.600 -0.370 535 HD1 TYR 74 1HD TYR 74 -13.721 -5.439 2.811 536 HD2 TYR 74 2HD TYR 74 -14.038 -1.623 0.957 537 HE1 TYR 74 1HE TYR 74 -13.030 -4.366 4.913 538 HE2 TYR 74 2HE TYR 74 -13.344 -0.540 3.053 539 HH TYR 74 HH TYR 74 -13.350 -1.053 5.478 540 H ASN 75 H ASN 75 -17.304 -6.547 -0.310 541 HA ASN 75 HA ASN 75 -18.076 -7.465 -2.239 542 HB2 ASN 75 2HB ASN 75 -18.011 -4.561 -3.069 543 HB3 ASN 75 1HB ASN 75 -18.789 -5.841 -4.001 544 HD21 ASN 75 1HD2 ASN 75 -18.901 -3.912 -1.118 545 HD22 ASN 75 2HD2 ASN 75 -20.524 -4.302 -0.674 546 H ILE 76 H ILE 76 -15.148 -7.155 -1.870 547 HA ILE 76 HA ILE 76 -13.880 -6.560 -4.315 548 HB ILE 76 HB ILE 76 -12.925 -8.491 -2.200 549 HG12 ILE 76 2HG1 ILE 76 -13.498 -6.381 -1.159 550 HG13 ILE 76 1HG1 ILE 76 -11.751 -6.536 -1.238 551 HG21 ILE 76 1HG2 ILE 76 -11.591 -8.713 -4.143 552 HG22 ILE 76 2HG2 ILE 76 -10.674 -7.722 -3.010 553 HG23 ILE 76 3HG2 ILE 76 -11.507 -6.969 -4.367 554 HD11 ILE 76 3HD1 ILE 76 -11.647 -5.007 -3.083 555 HD12 ILE 76 1HD1 ILE 76 -12.573 -4.274 -1.775 556 HD13 ILE 76 2HD1 ILE 76 -13.406 -4.941 -3.179 557 H THR 77 H THR 77 -13.873 -7.629 -6.179 558 HA THR 77 HA THR 77 -14.113 -10.543 -6.177 559 HB THR 77 HB THR 77 -15.740 -10.452 -8.065 560 HG1 THR 77 1HG THR 77 -15.275 -7.798 -7.807 561 HG21 THR 77 3HG2 THR 77 -16.684 -9.186 -5.493 562 HG22 THR 77 1HG2 THR 77 -16.503 -10.913 -5.791 563 HG23 THR 77 2HG2 THR 77 -17.706 -9.987 -6.686 564 H GLY 78 H GLY 78 -11.732 -9.605 -6.575 565 HA2 GLY 78 2HA GLY 78 -10.714 -10.528 -8.862 566 HA3 GLY 78 1HA GLY 78 -11.289 -8.953 -9.378 567 H ASN 79 H ASN 79 -9.749 -9.937 -6.333 568 HA ASN 79 HA ASN 79 -7.954 -9.077 -5.224 569 HB2 ASN 79 2HB ASN 79 -6.872 -8.912 -8.042 570 HB3 ASN 79 1HB ASN 79 -5.903 -8.824 -6.576 571 HD21 ASN 79 1HD2 ASN 79 -7.851 -10.875 -8.606 572 HD22 ASN 79 2HD2 ASN 79 -7.285 -12.378 -7.971 573 H THR 80 H THR 80 -9.944 -7.255 -5.655 574 HA THR 80 HA THR 80 -9.106 -4.827 -6.853 575 HB THR 80 HB THR 80 -11.226 -5.343 -4.751 576 HG1 THR 80 1HG THR 80 -11.107 -6.036 -7.298 577 HG21 THR 80 3HG2 THR 80 -12.210 -3.232 -5.406 578 HG22 THR 80 1HG2 THR 80 -10.940 -2.972 -6.599 579 HG23 THR 80 2HG2 THR 80 -10.549 -2.961 -4.881 580 H ILE 81 H ILE 81 -8.504 -2.875 -5.884 581 HA ILE 81 HA ILE 81 -7.354 -3.066 -3.174 582 HB ILE 81 HB ILE 81 -6.410 -1.389 -5.509 583 HG12 ILE 81 2HG1 ILE 81 -5.122 -3.700 -4.042 584 HG13 ILE 81 1HG1 ILE 81 -5.765 -3.746 -5.680 585 HG21 ILE 81 1HG2 ILE 81 -6.221 -0.183 -3.385 586 HG22 ILE 81 2HG2 ILE 81 -4.636 -0.610 -4.031 587 HG23 ILE 81 3HG2 ILE 81 -5.323 -1.538 -2.699 588 HD11 ILE 81 3HD1 ILE 81 -4.078 -2.038 -6.316 589 HD12 ILE 81 1HD1 ILE 81 -3.395 -3.580 -5.798 590 HD13 ILE 81 2HD1 ILE 81 -3.383 -2.199 -4.700 591 H CYS 82 H CYS 82 -8.475 -1.883 -1.741 592 HA CYS 82 HA CYS 82 -10.067 0.350 -2.785 593 HB2 CYS 82 2HB CYS 82 -10.393 -1.262 -0.262 594 HB3 CYS 82 1HB CYS 82 -11.391 0.120 -0.693 595 HG CYS 82 HG CYS 82 -11.479 -1.850 -3.254 596 H LEU 83 H LEU 83 -9.787 2.366 -2.159 597 HA LEU 83 HA LEU 83 -7.803 2.927 -0.067 598 HB2 LEU 83 2HB LEU 83 -6.969 3.921 -1.966 599 HB3 LEU 83 1HB LEU 83 -8.552 4.254 -2.623 600 HG LEU 83 HG LEU 83 -8.831 6.161 -1.177 601 HD11 LEU 83 1HD1 LEU 83 -7.346 6.843 0.498 602 HD12 LEU 83 2HD1 LEU 83 -6.090 5.725 -0.037 603 HD13 LEU 83 3HD1 LEU 83 -7.540 5.107 0.753 604 HD21 LEU 83 3HD2 LEU 83 -6.950 7.566 -1.956 605 HD22 LEU 83 1HD2 LEU 83 -7.662 6.580 -3.234 606 HD23 LEU 83 2HD2 LEU 83 -6.129 6.106 -2.504 607 H PHE 84 H PHE 84 -8.940 3.185 1.802 608 HA PHE 84 HA PHE 84 -11.437 4.703 1.752 609 HB2 PHE 84 2HB PHE 84 -10.965 2.435 3.028 610 HB3 PHE 84 1HB PHE 84 -10.327 3.518 4.259 611 HD1 PHE 84 2HD PHE 84 -11.896 5.462 4.993 612 HD2 PHE 84 1HD PHE 84 -13.212 1.946 2.989 613 HE1 PHE 84 2HE PHE 84 -14.179 5.846 5.825 614 HE2 PHE 84 1HE PHE 84 -15.497 2.323 3.817 615 HZ PHE 84 HZ PHE 84 -15.982 4.275 5.237 616 H ARG 85 H ARG 85 -11.508 6.790 2.309 617 HA ARG 85 HA ARG 85 -9.174 7.917 3.711 618 HB2 ARG 85 2HB ARG 85 -11.059 9.792 2.444 619 HB3 ARG 85 1HB ARG 85 -9.301 9.768 2.430 620 HG2 ARG 85 2HG ARG 85 -9.302 8.062 0.712 621 HG3 ARG 85 1HG ARG 85 -11.074 8.015 0.744 622 HD2 ARG 85 2HD ARG 85 -9.301 10.289 -0.134 623 HD3 ARG 85 1HD ARG 85 -10.434 9.358 -1.116 624 HE ARG 85 HE ARG 85 -11.784 10.639 1.018 625 HH11 ARG 85 1HH1 ARG 85 -10.297 11.274 -2.069 626 HH12 ARG 85 2HH1 ARG 85 -11.276 12.665 -2.399 627 HH21 ARG 85 1HH2 ARG 85 -13.074 12.470 0.592 628 HH22 ARG 85 2HH2 ARG 85 -12.851 13.346 -0.886 629 H LEU 86 H LEU 86 -9.914 7.378 5.771 630 HA LEU 86 HA LEU 86 -12.137 7.495 7.138 631 HB2 LEU 86 2HB LEU 86 -10.301 7.153 8.460 632 HB3 LEU 86 1HB LEU 86 -9.441 8.536 7.817 633 HG LEU 86 HG LEU 86 -10.987 10.016 9.121 634 HD11 LEU 86 1HD1 LEU 86 -11.834 7.405 10.364 635 HD12 LEU 86 2HD1 LEU 86 -12.844 8.464 9.382 636 HD13 LEU 86 3HD1 LEU 86 -12.259 9.011 10.955 637 HD21 LEU 86 3HD2 LEU 86 -9.900 9.571 11.282 638 HD22 LEU 86 1HD2 LEU 86 -8.765 9.528 9.931 639 HD23 LEU 86 2HD2 LEU 86 -9.331 8.022 10.659 640 H VAL 87 H VAL 87 -10.347 10.556 6.729 641 HA VAL 87 HA VAL 87 -11.925 12.369 7.878 642 HB VAL 87 HB VAL 87 -11.492 13.740 5.575 643 HG11 VAL 87 1HG1 VAL 87 -9.391 14.476 6.621 644 HG12 VAL 87 2HG1 VAL 87 -9.485 13.116 7.740 645 HG13 VAL 87 3HG1 VAL 87 -10.714 14.380 7.783 646 HG21 VAL 87 3HG2 VAL 87 -9.468 11.509 5.681 647 HG22 VAL 87 1HG2 VAL 87 -9.295 12.978 4.717 648 HG23 VAL 87 2HG2 VAL 87 -10.609 11.852 4.376 649 H ASP 88 H ASP 88 -12.436 11.741 4.405 650 HA ASP 88 HA ASP 88 -15.165 12.681 4.679 651 HB2 ASP 88 2HB ASP 88 -13.414 12.023 2.322 652 HB3 ASP 88 1HB ASP 88 -15.144 12.313 2.132 653 H ASN 89 H ASN 89 -13.733 9.885 5.276 654 HA ASN 89 HA ASN 89 -14.298 7.691 5.325 655 HB2 ASN 89 2HB ASN 89 -16.114 8.728 6.670 656 HB3 ASN 89 1HB ASN 89 -17.121 8.758 5.228 657 HD21 ASN 89 1HD2 ASN 89 -18.079 6.889 4.530 658 HD22 ASN 89 2HD2 ASN 89 -18.036 5.409 5.420 659 H GLU 90 H GLU 90 -13.729 8.692 2.745 660 HA GLU 90 HA GLU 90 -15.680 7.619 0.908 661 HB2 GLU 90 2HB GLU 90 -12.858 8.557 0.372 662 HB3 GLU 90 1HB GLU 90 -14.102 8.257 -0.835 663 HG2 GLU 90 2HG GLU 90 -14.246 10.347 1.314 664 HG3 GLU 90 1HG GLU 90 -13.769 10.638 -0.355 665 H GLN 91 H GLN 91 -15.150 5.943 -0.659 666 HA GLN 91 HA GLN 91 -13.050 4.085 0.167 667 HB2 GLN 91 2HB GLN 91 -15.179 3.390 1.274 668 HB3 GLN 91 1HB GLN 91 -15.897 3.195 -0.319 669 HG2 GLN 91 2HG GLN 91 -13.361 1.767 0.156 670 HG3 GLN 91 1HG GLN 91 -14.770 1.193 1.050 671 HE21 GLN 91 1HE2 GLN 91 -13.280 1.529 -2.051 672 HE22 GLN 91 2HE2 GLN 91 -14.397 0.548 -2.930 673 H LEU 92 H LEU 92 -11.924 4.601 -1.687 674 HA LEU 92 HA LEU 92 -13.134 4.427 -4.287 675 HB2 LEU 92 2HB LEU 92 -10.231 4.589 -3.458 676 HB3 LEU 92 1HB LEU 92 -10.798 4.674 -5.113 677 HG LEU 92 HG LEU 92 -10.318 6.892 -4.434 678 HD11 LEU 92 1HD1 LEU 92 -12.495 8.007 -4.565 679 HD12 LEU 92 2HD1 LEU 92 -13.294 6.461 -4.278 680 HD13 LEU 92 3HD1 LEU 92 -12.341 6.702 -5.742 681 HD21 LEU 92 3HD2 LEU 92 -11.103 7.939 -2.451 682 HD22 LEU 92 1HD2 LEU 92 -10.380 6.401 -1.984 683 HD23 LEU 92 2HD2 LEU 92 -12.134 6.565 -2.056 684 H ASN 93 H ASN 93 -12.953 2.745 -5.768 685 HA ASN 93 HA ASN 93 -11.771 0.266 -4.693 686 HB2 ASN 93 2HB ASN 93 -13.567 -0.793 -6.319 687 HB3 ASN 93 1HB ASN 93 -13.996 -0.313 -4.682 688 HD21 ASN 93 1HD2 ASN 93 -14.263 0.443 -8.059 689 HD22 ASN 93 2HD2 ASN 93 -15.548 1.589 -7.911 690 H LEU 94 H LEU 94 -10.084 -0.347 -5.764 691 HA LEU 94 HA LEU 94 -9.826 0.263 -8.625 692 HB2 LEU 94 2HB LEU 94 -8.053 0.920 -6.831 693 HB3 LEU 94 1HB LEU 94 -7.632 -0.781 -6.848 694 HG LEU 94 HG LEU 94 -7.695 0.619 -9.462 695 HD11 LEU 94 1HD1 LEU 94 -5.506 0.996 -7.418 696 HD12 LEU 94 2HD1 LEU 94 -6.568 2.252 -8.059 697 HD13 LEU 94 3HD1 LEU 94 -5.409 1.452 -9.119 698 HD21 LEU 94 3HD2 LEU 94 -5.808 -1.380 -8.223 699 HD22 LEU 94 1HD2 LEU 94 -5.852 -0.877 -9.912 700 HD23 LEU 94 2HD2 LEU 94 -7.198 -1.784 -9.229 701 H GLU 95 H GLU 95 -11.330 -1.447 -9.100 702 HA GLU 95 HA GLU 95 -10.720 -4.150 -8.321 703 HB2 GLU 95 2HB GLU 95 -12.773 -3.211 -10.315 704 HB3 GLU 95 1HB GLU 95 -12.724 -4.758 -9.478 705 HG2 GLU 95 2HG GLU 95 -13.191 -3.715 -7.385 706 HG3 GLU 95 1HG GLU 95 -13.052 -2.108 -8.098 707 H ASP 96 H ASP 96 -11.491 -5.561 -10.554 708 HA ASP 96 HA ASP 96 -9.116 -6.141 -11.805 709 HB2 ASP 96 2HB ASP 96 -11.856 -6.498 -13.021 710 HB3 ASP 96 1HB ASP 96 -10.396 -7.388 -13.438 711 H GLU 97 H GLU 97 -11.623 -3.892 -12.929 712 HA GLU 97 HA GLU 97 -10.672 -3.360 -15.471 713 HB2 GLU 97 2HB GLU 97 -11.893 -1.411 -13.505 714 HB3 GLU 97 1HB GLU 97 -11.725 -1.127 -15.233 715 HG2 GLU 97 2HG GLU 97 -13.362 -3.305 -13.953 716 HG3 GLU 97 1HG GLU 97 -13.985 -1.812 -14.653 717 H ASP 98 H ASP 98 -9.208 -2.782 -12.500 718 HA ASP 98 HA ASP 98 -7.109 -1.174 -13.769 719 HB2 ASP 98 2HB ASP 98 -8.229 -0.816 -10.975 720 HB3 ASP 98 1HB ASP 98 -6.827 0.037 -11.624 721 H ILE 99 H ILE 99 -7.937 -3.949 -12.001 722 HA ILE 99 HA ILE 99 -5.318 -4.281 -10.772 723 HB ILE 99 HB ILE 99 -7.834 -5.955 -10.661 724 HG12 ILE 99 2HG1 ILE 99 -7.739 -3.834 -9.364 725 HG13 ILE 99 1HG1 ILE 99 -7.925 -5.266 -8.362 726 HG21 ILE 99 1HG2 ILE 99 -5.148 -6.511 -9.400 727 HG22 ILE 99 2HG2 ILE 99 -5.984 -7.502 -10.597 728 HG23 ILE 99 3HG2 ILE 99 -6.650 -7.330 -8.972 729 HD11 ILE 99 3HD1 ILE 99 -5.511 -5.180 -7.868 730 HD12 ILE 99 1HD1 ILE 99 -6.385 -3.743 -7.336 731 HD13 ILE 99 2HD1 ILE 99 -5.404 -3.687 -8.801 732 H GLU 100 H GLU 100 -7.311 -5.800 -13.280 733 HA GLU 100 HA GLU 100 -5.803 -7.995 -13.930 734 HB2 GLU 100 2HB GLU 100 -7.284 -6.109 -15.769 735 HB3 GLU 100 1HB GLU 100 -6.641 -7.664 -16.278 736 HG2 GLU 100 2HG GLU 100 -8.079 -8.806 -14.694 737 HG3 GLU 100 1HG GLU 100 -8.689 -7.258 -14.111 738 H SER 101 H SER 101 -5.231 -4.638 -14.814 739 HA SER 101 HA SER 101 -2.545 -5.402 -15.742 740 HB2 SER 101 2HB SER 101 -2.683 -3.643 -17.477 741 HB3 SER 101 1HB SER 101 -3.906 -4.890 -17.715 742 HG SER 101 HG SER 101 -5.175 -3.251 -16.290 743 H ILE 102 H ILE 102 -3.039 -4.672 -13.162 744 HA ILE 102 HA ILE 102 -2.767 -1.880 -12.693 745 HB ILE 102 HB ILE 102 -3.723 -3.380 -11.010 746 HG12 ILE 102 2HG1 ILE 102 -2.361 -2.528 -9.054 747 HG13 ILE 102 1HG1 ILE 102 -1.206 -1.903 -10.225 748 HG21 ILE 102 1HG2 ILE 102 -2.413 -5.356 -11.303 749 HG22 ILE 102 2HG2 ILE 102 -2.151 -4.782 -9.657 750 HG23 ILE 102 3HG2 ILE 102 -0.922 -4.503 -10.893 751 HD11 ILE 102 3HD1 ILE 102 -2.888 -0.444 -11.157 752 HD12 ILE 102 1HD1 ILE 102 -2.748 -0.185 -9.419 753 HD13 ILE 102 2HD1 ILE 102 -4.099 -1.112 -10.067 754 H ASP 103 H ASP 103 -1.002 -0.689 -12.118 755 HA ASP 103 HA ASP 103 1.635 -1.951 -12.192 756 HB2 ASP 103 2HB ASP 103 0.946 0.556 -13.736 757 HB3 ASP 103 1HB ASP 103 2.530 -0.203 -13.634 758 H ALA 104 H ALA 104 3.238 -0.808 -10.980 759 HA ALA 104 HA ALA 104 2.423 0.346 -8.630 760 HB1 ALA 104 1HB ALA 104 4.706 1.222 -8.393 761 HB2 ALA 104 2HB ALA 104 5.011 0.831 -10.087 762 HB3 ALA 104 3HB ALA 104 4.668 -0.458 -8.928 763 H THR 105 H THR 105 3.047 1.904 -11.706 764 HA THR 105 HA THR 105 2.914 4.582 -10.870 765 HB THR 105 HB THR 105 2.098 3.370 -13.519 766 HG1 THR 105 1HG THR 105 4.470 4.822 -13.077 767 HG21 THR 105 3HG2 THR 105 1.088 5.519 -13.340 768 HG22 THR 105 1HG2 THR 105 2.509 5.684 -14.374 769 HG23 THR 105 2HG2 THR 105 2.572 6.225 -12.694 770 H LYS 106 H LYS 106 0.409 2.391 -12.095 771 HA LYS 106 HA LYS 106 -1.749 4.166 -11.994 772 HB2 LYS 106 2HB LYS 106 -1.780 1.167 -11.587 773 HB3 LYS 106 1HB LYS 106 -3.166 2.162 -12.006 774 HG2 LYS 106 2HG LYS 106 -2.213 2.692 -14.141 775 HG3 LYS 106 1HG LYS 106 -0.709 1.870 -13.719 776 HD2 LYS 106 2HD LYS 106 -1.948 0.379 -15.103 777 HD3 LYS 106 1HD LYS 106 -2.067 -0.237 -13.454 778 HE2 LYS 106 2HE LYS 106 -4.235 -0.364 -14.485 779 HE3 LYS 106 1HE LYS 106 -4.267 0.889 -13.245 780 HZ1 LYS 106 3HZ LYS 106 -3.961 2.549 -14.996 781 HZ2 LYS 106 1HZ LYS 106 -5.373 1.646 -15.235 782 HZ3 LYS 106 2HZ LYS 106 -3.999 1.332 -16.170 783 H LEU 107 H LEU 107 -0.970 1.593 -9.613 784 HA LEU 107 HA LEU 107 -2.840 2.223 -7.704 785 HB2 LEU 107 2HB LEU 107 -0.630 0.555 -7.823 786 HB3 LEU 107 1HB LEU 107 -0.246 1.634 -6.499 787 HG LEU 107 HG LEU 107 -2.459 -0.373 -6.712 788 HD11 LEU 107 1HD1 LEU 107 -1.674 -0.865 -4.395 789 HD12 LEU 107 2HD1 LEU 107 -0.388 0.320 -4.638 790 HD13 LEU 107 3HD1 LEU 107 -0.462 -1.123 -5.647 791 HD21 LEU 107 3HD2 LEU 107 -2.446 2.028 -4.883 792 HD22 LEU 107 1HD2 LEU 107 -3.483 0.616 -4.683 793 HD23 LEU 107 2HD2 LEU 107 -3.649 1.635 -6.110 794 H SER 108 H SER 108 0.505 3.449 -7.812 795 HA SER 108 HA SER 108 0.291 5.256 -5.699 796 HB2 SER 108 2HB SER 108 2.024 5.446 -8.174 797 HB3 SER 108 1HB SER 108 2.264 6.362 -6.685 798 HG SER 108 HG SER 108 3.048 4.636 -5.733 799 H ARG 109 H ARG 109 -0.703 5.508 -9.029 800 HA ARG 109 HA ARG 109 -1.067 8.319 -9.074 801 HB2 ARG 109 2HB ARG 109 -0.808 6.861 -11.096 802 HB3 ARG 109 1HB ARG 109 -2.417 6.232 -10.791 803 HG2 ARG 109 2HG ARG 109 -1.966 9.168 -11.136 804 HG3 ARG 109 1HG ARG 109 -2.117 8.100 -12.532 805 HD2 ARG 109 2HD ARG 109 -4.278 7.284 -11.509 806 HD3 ARG 109 1HD ARG 109 -4.141 8.624 -10.363 807 HE ARG 109 HE ARG 109 -3.883 9.692 -12.917 808 HH11 ARG 109 1HH1 ARG 109 -6.309 8.047 -11.030 809 HH12 ARG 109 2HH1 ARG 109 -7.637 8.805 -11.845 810 HH21 ARG 109 1HH2 ARG 109 -5.621 10.691 -13.991 811 HH22 ARG 109 2HH2 ARG 109 -7.245 10.304 -13.531 812 H PHE 110 H PHE 110 -3.515 5.735 -9.192 813 HA PHE 110 HA PHE 110 -5.773 7.146 -8.672 814 HB2 PHE 110 2HB PHE 110 -4.944 4.393 -7.781 815 HB3 PHE 110 1HB PHE 110 -6.521 5.046 -7.342 816 HD1 PHE 110 1HD PHE 110 -8.220 5.435 -9.022 817 HD2 PHE 110 2HD PHE 110 -4.438 3.788 -10.062 818 HE1 PHE 110 1HE PHE 110 -9.129 4.732 -11.196 819 HE2 PHE 110 2HE PHE 110 -5.339 3.080 -12.237 820 HZ PHE 110 HZ PHE 110 -7.689 3.553 -12.809 821 H ILE 111 H ILE 111 -3.448 5.950 -6.281 822 HA ILE 111 HA ILE 111 -4.779 6.898 -3.990 823 HB ILE 111 HB ILE 111 -1.821 6.475 -4.469 824 HG12 ILE 111 2HG1 ILE 111 -3.797 4.754 -2.965 825 HG13 ILE 111 1HG1 ILE 111 -3.366 4.495 -4.647 826 HG21 ILE 111 1HG2 ILE 111 -1.608 6.468 -2.026 827 HG22 ILE 111 2HG2 ILE 111 -3.308 6.911 -1.883 828 HG23 ILE 111 3HG2 ILE 111 -2.166 8.030 -2.632 829 HD11 ILE 111 3HD1 ILE 111 -1.517 4.355 -2.285 830 HD12 ILE 111 1HD1 ILE 111 -1.021 4.186 -3.969 831 HD13 ILE 111 2HD1 ILE 111 -2.111 3.003 -3.249 832 H GLU 112 H GLU 112 -2.045 8.295 -5.794 833 HA GLU 112 HA GLU 112 -1.860 10.714 -4.465 834 HB2 GLU 112 2HB GLU 112 -0.282 9.835 -6.215 835 HB3 GLU 112 1HB GLU 112 -1.460 10.311 -7.434 836 HG2 GLU 112 2HG GLU 112 -1.258 12.640 -6.712 837 HG3 GLU 112 1HG GLU 112 -0.061 12.159 -5.510 838 H ILE 113 H ILE 113 -4.307 9.542 -6.503 839 HA ILE 113 HA ILE 113 -5.324 12.149 -7.246 840 HB ILE 113 HB ILE 113 -5.750 9.383 -8.103 841 HG12 ILE 113 2HG1 ILE 113 -6.073 10.462 -10.271 842 HG13 ILE 113 1HG1 ILE 113 -6.139 12.039 -9.492 843 HG21 ILE 113 1HG2 ILE 113 -8.107 11.245 -8.001 844 HG22 ILE 113 2HG2 ILE 113 -7.953 9.667 -7.229 845 HG23 ILE 113 3HG2 ILE 113 -8.018 9.785 -8.985 846 HD11 ILE 113 3HD1 ILE 113 -3.977 11.590 -10.553 847 HD12 ILE 113 1HD1 ILE 113 -3.755 10.204 -9.488 848 HD13 ILE 113 2HD1 ILE 113 -3.830 11.831 -8.813 849 H ASN 114 H ASN 114 -6.175 9.491 -5.053 850 HA ASN 114 HA ASN 114 -8.259 11.250 -3.932 851 HB2 ASN 114 2HB ASN 114 -8.327 8.247 -4.225 852 HB3 ASN 114 1HB ASN 114 -9.482 9.172 -3.267 853 HD21 ASN 114 1HD2 ASN 114 -9.534 11.416 -5.089 854 HD22 ASN 114 2HD2 ASN 114 -10.434 10.906 -6.473 855 H SER 115 H SER 115 -5.423 10.931 -3.130 856 HA SER 115 HA SER 115 -5.529 9.553 -0.592 857 HB2 SER 115 2HB SER 115 -3.216 10.298 -0.316 858 HB3 SER 115 1HB SER 115 -3.443 9.625 -1.933 859 HG SER 115 HG SER 115 -2.792 12.173 -1.166 860 H LEU 116 H LEU 116 -7.543 11.242 -0.499 861 HA LEU 116 HA LEU 116 -6.653 13.650 0.914 862 HB2 LEU 116 2HB LEU 116 -9.393 12.946 -0.124 863 HB3 LEU 116 1HB LEU 116 -8.907 14.484 0.565 864 HG LEU 116 HG LEU 116 -7.826 13.313 -1.997 865 HD11 LEU 116 1HD1 LEU 116 -9.092 15.196 -3.041 866 HD12 LEU 116 2HD1 LEU 116 -9.883 15.452 -1.485 867 HD13 LEU 116 3HD1 LEU 116 -10.101 13.928 -2.346 868 HD21 LEU 116 3HD2 LEU 116 -7.426 16.033 -0.749 869 HD22 LEU 116 1HD2 LEU 116 -6.808 15.508 -2.315 870 HD23 LEU 116 2HD2 LEU 116 -6.219 14.750 -0.836 Start of MODEL 18 1 H GLU 1 H GLU 1 15.572 4.681 11.544 2 HA GLU 1 HA GLU 1 17.026 6.425 9.848 3 HB2 GLU 1 2HB GLU 1 17.929 8.049 11.441 4 HB3 GLU 1 1HB GLU 1 16.186 8.221 11.288 5 HG2 GLU 1 2HG GLU 1 15.841 7.081 13.379 6 HG3 GLU 1 1HG GLU 1 17.566 6.740 13.515 7 H VAL 2 H VAL 2 16.796 4.339 12.573 8 HA VAL 2 HA VAL 2 19.689 3.809 12.452 9 HB VAL 2 HB VAL 2 19.355 2.666 14.668 10 HG11 VAL 2 1HG1 VAL 2 18.697 5.607 14.524 11 HG12 VAL 2 2HG1 VAL 2 20.312 4.898 14.513 12 HG13 VAL 2 3HG1 VAL 2 19.296 4.756 15.948 13 HG21 VAL 2 3HG2 VAL 2 17.341 3.285 15.954 14 HG22 VAL 2 1HG2 VAL 2 16.969 2.276 14.556 15 HG23 VAL 2 2HG2 VAL 2 16.661 4.012 14.498 16 H GLU 3 H GLU 3 17.149 2.725 10.946 17 HA GLU 3 HA GLU 3 17.418 -0.120 11.487 18 HB2 GLU 3 2HB GLU 3 15.660 1.465 9.617 19 HB3 GLU 3 1HB GLU 3 15.716 -0.291 9.596 20 HG2 GLU 3 2HG GLU 3 13.830 0.414 10.881 21 HG3 GLU 3 1HG GLU 3 15.020 -0.305 11.966 22 H LYS 4 H LYS 4 17.629 1.940 8.586 23 HA LYS 4 HA LYS 4 19.788 0.197 7.603 24 HB2 LYS 4 2HB LYS 4 17.579 1.423 5.938 25 HB3 LYS 4 1HB LYS 4 18.918 0.465 5.323 26 HG2 LYS 4 2HG LYS 4 18.109 -1.472 6.581 27 HG3 LYS 4 1HG LYS 4 16.755 -0.508 7.177 28 HD2 LYS 4 2HD LYS 4 15.973 -0.186 4.882 29 HD3 LYS 4 1HD LYS 4 17.333 -1.140 4.284 30 HE2 LYS 4 2HE LYS 4 16.509 -3.080 5.543 31 HE3 LYS 4 1HE LYS 4 15.141 -2.123 6.110 32 HZ1 LYS 4 3HZ LYS 4 15.726 -2.770 3.270 33 HZ2 LYS 4 1HZ LYS 4 14.399 -1.882 3.831 34 HZ3 LYS 4 2HZ LYS 4 14.547 -3.519 4.224 35 H SER 5 H SER 5 19.626 2.873 8.994 36 HA SER 5 HA SER 5 20.698 4.877 8.951 37 HB2 SER 5 2HB SER 5 22.268 3.564 6.720 38 HB3 SER 5 1HB SER 5 22.733 5.046 7.556 39 HG SER 5 HG SER 5 23.505 2.764 8.263 40 H SER 6 H SER 6 18.292 4.561 7.404 41 HA SER 6 HA SER 6 18.673 6.078 4.966 42 HB2 SER 6 2HB SER 6 16.137 5.123 6.321 43 HB3 SER 6 1HB SER 6 16.223 5.858 4.721 44 HG SER 6 HG SER 6 16.463 3.327 5.290 45 H ASP 7 H ASP 7 18.185 8.194 4.635 46 HA ASP 7 HA ASP 7 16.991 9.723 6.831 47 HB2 ASP 7 2HB ASP 7 19.411 9.937 7.115 48 HB3 ASP 7 1HB ASP 7 19.577 10.458 5.442 49 H GLY 8 H GLY 8 17.725 9.346 3.452 50 HA2 GLY 8 2HA GLY 8 16.353 11.803 2.711 51 HA3 GLY 8 1HA GLY 8 17.128 10.670 1.614 52 HA PRO 9 HA PRO 9 12.423 10.435 1.196 53 HB2 PRO 9 2HB PRO 9 13.413 9.859 -1.557 54 HB3 PRO 9 1HB PRO 9 12.033 10.834 -1.038 55 HG2 PRO 9 2HG PRO 9 14.273 11.998 -1.878 56 HG3 PRO 9 1HG PRO 9 13.355 12.667 -0.517 57 HD2 PRO 9 2HD PRO 9 15.903 11.118 -0.509 58 HD3 PRO 9 1HD PRO 9 15.382 12.443 0.552 59 H GLY 10 H GLY 10 12.027 8.524 2.215 60 HA2 GLY 10 2HA GLY 10 12.036 6.135 0.664 61 HA3 GLY 10 1HA GLY 10 13.308 6.098 1.876 62 H ALA 11 H ALA 11 11.907 4.171 2.457 63 HA ALA 11 HA ALA 11 10.481 4.768 4.832 64 HB1 ALA 11 1HB ALA 11 8.264 3.956 4.172 65 HB2 ALA 11 2HB ALA 11 8.811 3.829 2.501 66 HB3 ALA 11 3HB ALA 11 8.714 5.408 3.279 67 H ALA 12 H ALA 12 10.328 2.307 2.258 68 HA ALA 12 HA ALA 12 10.699 0.066 2.260 69 HB1 ALA 12 1HB ALA 12 12.963 0.858 2.829 70 HB2 ALA 12 2HB ALA 12 12.605 -0.742 3.480 71 HB3 ALA 12 3HB ALA 12 12.569 0.670 4.538 72 H GLN 13 H GLN 13 8.700 -0.669 2.852 73 HA GLN 13 HA GLN 13 8.510 -2.138 5.260 74 HB2 GLN 13 2HB GLN 13 6.437 -0.847 6.086 75 HB3 GLN 13 1HB GLN 13 8.024 -0.177 6.441 76 HG2 GLN 13 2HG GLN 13 7.633 1.134 4.211 77 HG3 GLN 13 1HG GLN 13 5.936 0.781 4.549 78 HE21 GLN 13 1HE2 GLN 13 8.779 2.485 5.579 79 HE22 GLN 13 2HE2 GLN 13 7.999 3.513 6.730 80 H GLU 14 H GLU 14 6.308 -3.171 5.479 81 HA GLU 14 HA GLU 14 5.119 -3.489 2.803 82 HB2 GLU 14 2HB GLU 14 4.700 -5.801 3.310 83 HB3 GLU 14 1HB GLU 14 6.394 -5.461 3.633 84 HG2 GLU 14 2HG GLU 14 5.769 -5.187 6.047 85 HG3 GLU 14 1HG GLU 14 4.172 -5.805 5.622 86 HA PRO 15 HA PRO 15 1.147 -2.374 4.323 87 HB2 PRO 15 2HB PRO 15 -0.486 -4.168 3.051 88 HB3 PRO 15 1HB PRO 15 0.239 -2.758 2.272 89 HG2 PRO 15 2HG PRO 15 1.080 -5.614 2.186 90 HG3 PRO 15 1HG PRO 15 1.093 -4.398 0.899 91 HD2 PRO 15 2HD PRO 15 3.321 -5.146 2.258 92 HD3 PRO 15 1HD PRO 15 3.103 -3.527 1.565 93 H THR 16 H THR 16 -0.486 -2.889 5.784 94 HA THR 16 HA THR 16 0.171 -4.847 7.737 95 HB THR 16 HB THR 16 -2.444 -3.354 7.488 96 HG1 THR 16 1HG THR 16 -0.162 -2.511 8.958 97 HG21 THR 16 3HG2 THR 16 -0.984 -4.485 9.878 98 HG22 THR 16 1HG2 THR 16 -2.431 -5.165 9.136 99 HG23 THR 16 2HG2 THR 16 -2.502 -3.590 9.924 100 H TRP 17 H TRP 17 -1.183 -6.568 8.506 101 HA TRP 17 HA TRP 17 -2.501 -7.996 6.314 102 HB2 TRP 17 2HB TRP 17 -1.465 -8.953 8.988 103 HB3 TRP 17 1HB TRP 17 -2.287 -9.982 7.819 104 HD1 TRP 17 HD TRP 17 -0.962 -10.090 5.309 105 HE1 TRP 17 1HE TRP 17 1.570 -10.299 4.896 106 HE3 TRP 17 3HE TRP 17 0.739 -8.466 9.848 107 HZ2 TRP 17 2HZ TRP 17 3.970 -9.839 6.308 108 HZ3 TRP 17 3HZ TRP 17 3.167 -8.383 10.237 109 HH2 TRP 17 HH TRP 17 4.747 -9.056 8.501 110 H LEU 18 H LEU 18 -4.538 -7.084 6.302 111 HA LEU 18 HA LEU 18 -6.108 -7.035 8.765 112 HB2 LEU 18 2HB LEU 18 -6.898 -6.203 5.973 113 HB3 LEU 18 1HB LEU 18 -7.759 -5.842 7.457 114 HG LEU 18 HG LEU 18 -4.991 -4.839 6.807 115 HD11 LEU 18 1HD1 LEU 18 -6.561 -3.853 5.281 116 HD12 LEU 18 2HD1 LEU 18 -6.096 -2.658 6.494 117 HD13 LEU 18 3HD1 LEU 18 -7.659 -3.465 6.606 118 HD21 LEU 18 3HD2 LEU 18 -5.424 -3.304 8.701 119 HD22 LEU 18 1HD2 LEU 18 -5.343 -5.000 9.180 120 HD23 LEU 18 2HD2 LEU 18 -6.906 -4.196 9.040 121 H THR 19 H THR 19 -5.950 -9.429 8.853 122 HA THR 19 HA THR 19 -7.261 -11.051 6.919 123 HB THR 19 HB THR 19 -7.034 -12.866 8.529 124 HG1 THR 19 1HG THR 19 -6.390 -12.472 10.624 125 HG21 THR 19 3HG2 THR 19 -5.056 -12.220 7.235 126 HG22 THR 19 1HG2 THR 19 -4.606 -12.809 8.836 127 HG23 THR 19 2HG2 THR 19 -4.599 -11.079 8.499 128 H ASP 20 H ASP 20 -8.562 -8.920 9.133 129 HA ASP 20 HA ASP 20 -11.130 -10.329 9.012 130 HB2 ASP 20 2HB ASP 20 -9.890 -9.153 11.502 131 HB3 ASP 20 1HB ASP 20 -11.595 -9.579 11.373 132 H VAL 21 H VAL 21 -12.959 -9.042 8.980 133 HA VAL 21 HA VAL 21 -12.775 -6.597 7.672 134 HB VAL 21 HB VAL 21 -15.096 -7.571 9.346 135 HG11 VAL 21 1HG1 VAL 21 -16.453 -6.165 7.857 136 HG12 VAL 21 2HG1 VAL 21 -14.980 -5.576 7.085 137 HG13 VAL 21 3HG1 VAL 21 -15.290 -5.218 8.784 138 HG21 VAL 21 3HG2 VAL 21 -14.507 -8.008 6.421 139 HG22 VAL 21 1HG2 VAL 21 -15.961 -8.524 7.274 140 HG23 VAL 21 2HG2 VAL 21 -14.397 -9.229 7.687 141 HA PRO 22 HA PRO 22 -13.752 -4.469 11.987 142 HB2 PRO 22 2HB PRO 22 -12.585 -5.829 14.093 143 HB3 PRO 22 1HB PRO 22 -14.305 -5.881 13.688 144 HG2 PRO 22 2HG PRO 22 -12.133 -7.820 13.002 145 HG3 PRO 22 1HG PRO 22 -13.800 -8.141 13.523 146 HD2 PRO 22 2HD PRO 22 -13.096 -8.355 10.958 147 HD3 PRO 22 1HD PRO 22 -14.675 -7.687 11.417 148 H ALA 23 H ALA 23 -10.821 -6.497 11.833 149 HA ALA 23 HA ALA 23 -9.078 -4.556 12.894 150 HB1 ALA 23 1HB ALA 23 -8.590 -7.008 12.716 151 HB2 ALA 23 2HB ALA 23 -7.283 -5.960 12.164 152 HB3 ALA 23 3HB ALA 23 -8.322 -6.766 10.988 153 H ALA 24 H ALA 24 -10.176 -5.285 9.676 154 HA ALA 24 HA ALA 24 -8.376 -3.655 8.238 155 HB1 ALA 24 1HB ALA 24 -9.665 -5.313 7.071 156 HB2 ALA 24 2HB ALA 24 -10.122 -3.726 6.447 157 HB3 ALA 24 3HB ALA 24 -11.180 -4.566 7.580 158 H MET 25 H MET 25 -11.775 -3.067 9.120 159 HA MET 25 HA MET 25 -11.862 -0.371 8.392 160 HB2 MET 25 2HB MET 25 -13.488 -1.724 10.549 161 HB3 MET 25 1HB MET 25 -13.907 -0.248 9.693 162 HG2 MET 25 2HG MET 25 -13.974 -1.569 7.585 163 HG3 MET 25 1HG MET 25 -13.735 -3.023 8.551 164 HE1 MET 25 3HE MET 25 -16.978 -3.064 10.754 165 HE2 MET 25 1HE MET 25 -15.391 -2.404 11.150 166 HE3 MET 25 2HE MET 25 -15.520 -3.951 10.312 167 H GLU 26 H GLU 26 -10.587 -1.923 11.230 168 HA GLU 26 HA GLU 26 -10.619 0.394 12.897 169 HB2 GLU 26 2HB GLU 26 -9.309 -2.287 13.032 170 HB3 GLU 26 1HB GLU 26 -8.727 -1.006 14.087 171 HG2 GLU 26 2HG GLU 26 -11.128 -0.710 14.821 172 HG3 GLU 26 1HG GLU 26 -11.463 -2.226 13.984 173 H PHE 27 H PHE 27 -8.048 -1.227 11.036 174 HA PHE 27 HA PHE 27 -6.056 0.660 11.569 175 HB2 PHE 27 2HB PHE 27 -6.464 -1.455 9.527 176 HB3 PHE 27 1HB PHE 27 -5.281 -0.204 9.146 177 HD1 PHE 27 1HD PHE 27 -6.144 -2.900 11.497 178 HD2 PHE 27 2HD PHE 27 -3.198 -0.082 10.277 179 HE1 PHE 27 1HE PHE 27 -4.474 -4.049 12.892 180 HE2 PHE 27 2HE PHE 27 -1.521 -1.227 11.668 181 HZ PHE 27 HZ PHE 27 -2.159 -3.212 12.979 182 H ILE 28 H ILE 28 -8.695 0.626 9.297 183 HA ILE 28 HA ILE 28 -7.788 2.882 7.769 184 HB ILE 28 HB ILE 28 -10.426 1.448 7.975 185 HG12 ILE 28 2HG1 ILE 28 -8.660 1.895 5.567 186 HG13 ILE 28 1HG1 ILE 28 -8.438 0.532 6.665 187 HG21 ILE 28 1HG2 ILE 28 -9.831 3.939 6.389 188 HG22 ILE 28 2HG2 ILE 28 -11.024 3.755 7.672 189 HG23 ILE 28 3HG2 ILE 28 -11.240 2.911 6.143 190 HD11 ILE 28 3HD1 ILE 28 -9.778 0.123 4.555 191 HD12 ILE 28 1HD1 ILE 28 -11.056 1.076 5.307 192 HD13 ILE 28 2HD1 ILE 28 -10.501 -0.414 6.072 193 H ALA 29 H ALA 29 -9.986 2.366 10.476 194 HA ALA 29 HA ALA 29 -10.913 5.053 10.621 195 HB1 ALA 29 1HB ALA 29 -10.958 2.844 12.677 196 HB2 ALA 29 2HB ALA 29 -12.237 3.242 11.528 197 HB3 ALA 29 3HB ALA 29 -11.819 4.379 12.812 198 H ALA 30 H ALA 30 -8.077 3.439 11.701 199 HA ALA 30 HA ALA 30 -7.457 5.463 13.706 200 HB1 ALA 30 1HB ALA 30 -6.937 3.154 14.236 201 HB2 ALA 30 2HB ALA 30 -5.456 4.106 14.140 202 HB3 ALA 30 3HB ALA 30 -5.905 3.040 12.809 203 H THR 31 H THR 31 -7.638 6.129 10.823 204 HA THR 31 HA THR 31 -5.351 7.805 10.661 205 HB THR 31 HB THR 31 -4.204 5.768 9.992 206 HG1 THR 31 1HG THR 31 -3.640 7.700 8.881 207 HG21 THR 31 3HG2 THR 31 -4.912 4.330 8.320 208 HG22 THR 31 1HG2 THR 31 -5.979 5.532 7.594 209 HG23 THR 31 2HG2 THR 31 -6.425 4.759 9.114 210 H GLU 32 H GLU 32 -5.393 9.217 8.826 211 HA GLU 32 HA GLU 32 -8.020 9.922 8.001 212 HB2 GLU 32 2HB GLU 32 -5.941 11.419 8.307 213 HB3 GLU 32 1HB GLU 32 -5.493 10.900 6.689 214 HG2 GLU 32 2HG GLU 32 -7.534 11.814 5.787 215 HG3 GLU 32 1HG GLU 32 -8.083 12.246 7.407 216 H VAL 33 H VAL 33 -5.207 8.948 6.010 217 HA VAL 33 HA VAL 33 -7.109 7.914 4.013 218 HB VAL 33 HB VAL 33 -4.206 8.575 3.538 219 HG11 VAL 33 1HG1 VAL 33 -5.085 7.053 1.907 220 HG12 VAL 33 2HG1 VAL 33 -4.951 8.650 1.167 221 HG13 VAL 33 3HG1 VAL 33 -6.528 8.048 1.688 222 HG21 VAL 33 3HG2 VAL 33 -5.062 10.640 2.454 223 HG22 VAL 33 1HG2 VAL 33 -5.299 10.609 4.201 224 HG23 VAL 33 2HG2 VAL 33 -6.656 10.278 3.123 225 H ALA 34 H ALA 34 -7.006 5.816 3.345 226 HA ALA 34 HA ALA 34 -4.809 4.140 4.305 227 HB1 ALA 34 1HB ALA 34 -6.455 2.426 5.079 228 HB2 ALA 34 2HB ALA 34 -7.719 3.644 4.889 229 HB3 ALA 34 3HB ALA 34 -6.415 3.901 6.051 230 H VAL 35 H VAL 35 -4.117 2.804 2.795 231 HA VAL 35 HA VAL 35 -5.950 2.099 0.603 232 HB VAL 35 HB VAL 35 -2.976 2.581 0.534 233 HG11 VAL 35 1HG1 VAL 35 -3.403 0.544 -0.729 234 HG12 VAL 35 2HG1 VAL 35 -3.052 1.877 -1.830 235 HG13 VAL 35 3HG1 VAL 35 -4.715 1.337 -1.601 236 HG21 VAL 35 3HG2 VAL 35 -5.334 3.760 -0.919 237 HG22 VAL 35 1HG2 VAL 35 -3.647 4.170 -1.239 238 HG23 VAL 35 2HG2 VAL 35 -4.364 4.541 0.330 239 H ILE 36 H ILE 36 -6.317 0.018 0.241 240 HA ILE 36 HA ILE 36 -4.575 -1.955 1.540 241 HB ILE 36 HB ILE 36 -7.578 -1.857 1.778 242 HG12 ILE 36 2HG1 ILE 36 -5.650 -1.890 4.065 243 HG13 ILE 36 1HG1 ILE 36 -5.935 -0.381 3.210 244 HG21 ILE 36 1HG2 ILE 36 -6.935 -4.149 1.558 245 HG22 ILE 36 2HG2 ILE 36 -7.258 -3.843 3.265 246 HG23 ILE 36 3HG2 ILE 36 -5.592 -3.940 2.685 247 HD11 ILE 36 3HD1 ILE 36 -7.356 -0.432 5.092 248 HD12 ILE 36 1HD1 ILE 36 -7.928 -2.054 4.696 249 HD13 ILE 36 2HD1 ILE 36 -8.363 -0.689 3.666 250 H GLY 37 H GLY 37 -4.238 -3.795 0.451 251 HA2 GLY 37 2HA GLY 37 -5.489 -4.022 -2.188 252 HA3 GLY 37 1HA GLY 37 -3.985 -4.779 -1.703 253 H PHE 38 H PHE 38 -7.395 -5.102 -1.921 254 HA PHE 38 HA PHE 38 -7.517 -7.509 -0.293 255 HB2 PHE 38 2HB PHE 38 -9.656 -6.308 -2.070 256 HB3 PHE 38 1HB PHE 38 -9.883 -7.505 -0.797 257 HD1 PHE 38 2HD PHE 38 -8.695 -4.026 -1.345 258 HD2 PHE 38 1HD PHE 38 -10.429 -6.826 1.348 259 HE1 PHE 38 2HE PHE 38 -9.063 -2.226 0.285 260 HE2 PHE 38 1HE PHE 38 -10.801 -5.022 2.983 261 HZ PHE 38 HZ PHE 38 -10.118 -2.721 2.452 262 H PHE 39 H PHE 39 -6.216 -8.989 -1.304 263 HA PHE 39 HA PHE 39 -6.904 -9.691 -4.079 264 HB2 PHE 39 2HB PHE 39 -4.349 -10.349 -2.623 265 HB3 PHE 39 1HB PHE 39 -4.671 -10.507 -4.348 266 HD1 PHE 39 1HD PHE 39 -5.905 -7.970 -5.028 267 HD2 PHE 39 2HD PHE 39 -2.661 -8.793 -2.402 268 HE1 PHE 39 1HE PHE 39 -5.031 -5.705 -5.407 269 HE2 PHE 39 2HE PHE 39 -1.781 -6.526 -2.774 270 HZ PHE 39 HZ PHE 39 -2.966 -4.979 -4.279 271 H GLN 40 H GLN 40 -7.363 -11.753 -4.646 272 HA GLN 40 HA GLN 40 -7.929 -13.627 -2.487 273 HB2 GLN 40 2HB GLN 40 -8.488 -13.828 -5.458 274 HB3 GLN 40 1HB GLN 40 -9.060 -14.949 -4.229 275 HG2 GLN 40 2HG GLN 40 -10.380 -13.177 -3.210 276 HG3 GLN 40 1HG GLN 40 -9.791 -12.035 -4.417 277 HE21 GLN 40 1HE2 GLN 40 -10.519 -12.202 -6.543 278 HE22 GLN 40 2HE2 GLN 40 -11.936 -13.099 -6.956 279 H ASP 41 H ASP 41 -5.385 -12.772 -4.264 280 HA ASP 41 HA ASP 41 -3.943 -15.225 -3.798 281 HB2 ASP 41 2HB ASP 41 -4.960 -15.588 -6.050 282 HB3 ASP 41 1HB ASP 41 -4.166 -14.119 -6.615 283 H LEU 42 H LEU 42 -2.040 -14.574 -2.964 284 HA LEU 42 HA LEU 42 -1.189 -11.835 -3.468 285 HB2 LEU 42 2HB LEU 42 -0.171 -13.874 -1.494 286 HB3 LEU 42 1HB LEU 42 0.423 -12.228 -1.631 287 HG LEU 42 HG LEU 42 -2.403 -12.997 -0.904 288 HD11 LEU 42 1HD1 LEU 42 -0.868 -13.590 0.868 289 HD12 LEU 42 2HD1 LEU 42 -1.793 -12.162 1.333 290 HD13 LEU 42 3HD1 LEU 42 -0.122 -11.994 0.794 291 HD21 LEU 42 3HD2 LEU 42 -2.668 -10.626 -0.371 292 HD22 LEU 42 1HD2 LEU 42 -2.267 -10.855 -2.073 293 HD23 LEU 42 2HD2 LEU 42 -1.029 -10.309 -0.941 294 H GLU 43 H GLU 43 -0.901 -13.322 -5.697 295 HA GLU 43 HA GLU 43 2.016 -13.404 -5.977 296 HB2 GLU 43 2HB GLU 43 0.138 -15.458 -7.158 297 HB3 GLU 43 1HB GLU 43 1.872 -15.381 -7.418 298 HG2 GLU 43 2HG GLU 43 2.232 -15.784 -5.032 299 HG3 GLU 43 1HG GLU 43 0.488 -15.907 -4.804 300 H ILE 44 H ILE 44 -0.637 -11.871 -6.750 301 HA ILE 44 HA ILE 44 -0.296 -11.662 -9.631 302 HB ILE 44 HB ILE 44 -2.112 -9.849 -9.306 303 HG12 ILE 44 2HG1 ILE 44 -2.765 -11.323 -6.803 304 HG13 ILE 44 1HG1 ILE 44 -1.580 -10.029 -6.724 305 HG21 ILE 44 1HG2 ILE 44 -2.397 -12.169 -10.226 306 HG22 ILE 44 2HG2 ILE 44 -3.832 -11.484 -9.463 307 HG23 ILE 44 3HG2 ILE 44 -2.864 -12.682 -8.601 308 HD11 ILE 44 3HD1 ILE 44 -3.572 -8.992 -6.192 309 HD12 ILE 44 1HD1 ILE 44 -4.476 -9.889 -7.414 310 HD13 ILE 44 2HD1 ILE 44 -3.359 -8.615 -7.902 311 HA PRO 45 HA PRO 45 2.314 -8.109 -9.924 312 HB2 PRO 45 2HB PRO 45 0.069 -6.809 -11.413 313 HB3 PRO 45 1HB PRO 45 1.772 -6.954 -11.859 314 HG2 PRO 45 2HG PRO 45 -0.031 -8.511 -13.011 315 HG3 PRO 45 1HG PRO 45 1.538 -9.180 -12.521 316 HD2 PRO 45 2HD PRO 45 -1.139 -9.471 -11.220 317 HD3 PRO 45 1HD PRO 45 0.174 -10.656 -11.380 318 H ALA 46 H ALA 46 -1.006 -7.655 -8.906 319 HA ALA 46 HA ALA 46 -0.837 -4.979 -8.061 320 HB1 ALA 46 1HB ALA 46 -2.906 -5.332 -6.975 321 HB2 ALA 46 2HB ALA 46 -2.620 -7.070 -6.850 322 HB3 ALA 46 3HB ALA 46 -2.922 -6.338 -8.426 323 H VAL 47 H VAL 47 -0.089 -8.001 -6.380 324 HA VAL 47 HA VAL 47 0.086 -6.913 -3.797 325 HB VAL 47 HB VAL 47 1.833 -9.206 -4.615 326 HG11 VAL 47 1HG1 VAL 47 1.979 -8.443 -2.319 327 HG12 VAL 47 2HG1 VAL 47 1.207 -10.028 -2.381 328 HG13 VAL 47 3HG1 VAL 47 0.230 -8.579 -2.138 329 HG21 VAL 47 3HG2 VAL 47 -1.138 -9.369 -4.136 330 HG22 VAL 47 1HG2 VAL 47 -0.048 -10.720 -4.427 331 HG23 VAL 47 2HG2 VAL 47 -0.351 -9.543 -5.703 332 HA PRO 48 HA PRO 48 4.903 -6.454 -4.544 333 HB2 PRO 48 2HB PRO 48 4.952 -6.203 -7.501 334 HB3 PRO 48 1HB PRO 48 6.085 -7.030 -6.425 335 HG2 PRO 48 2HG PRO 48 4.396 -8.415 -7.946 336 HG3 PRO 48 1HG PRO 48 4.769 -8.935 -6.289 337 HD2 PRO 48 2HD PRO 48 2.352 -7.514 -7.330 338 HD3 PRO 48 1HD PRO 48 2.461 -8.828 -6.147 339 H ILE 49 H ILE 49 2.671 -5.066 -6.889 340 HA ILE 49 HA ILE 49 3.874 -2.526 -7.073 341 HB ILE 49 HB ILE 49 1.221 -3.657 -7.795 342 HG12 ILE 49 2HG1 ILE 49 2.991 -2.021 -9.550 343 HG13 ILE 49 1HG1 ILE 49 3.484 -3.654 -9.122 344 HG21 ILE 49 1HG2 ILE 49 1.812 -0.760 -7.482 345 HG22 ILE 49 2HG2 ILE 49 0.341 -1.656 -7.107 346 HG23 ILE 49 3HG2 ILE 49 0.755 -1.303 -8.785 347 HD11 ILE 49 3HD1 ILE 49 0.780 -3.096 -10.271 348 HD12 ILE 49 1HD1 ILE 49 1.676 -4.613 -10.222 349 HD13 ILE 49 2HD1 ILE 49 2.201 -3.315 -11.295 350 H LEU 50 H LEU 50 1.455 -3.867 -4.895 351 HA LEU 50 HA LEU 50 0.810 -1.356 -3.683 352 HB2 LEU 50 2HB LEU 50 -0.801 -3.148 -3.598 353 HB3 LEU 50 1HB LEU 50 0.343 -4.200 -2.795 354 HG LEU 50 HG LEU 50 0.314 -2.603 -0.849 355 HD11 LEU 50 1HD1 LEU 50 -2.127 -1.484 -2.208 356 HD12 LEU 50 2HD1 LEU 50 -0.561 -0.676 -2.162 357 HD13 LEU 50 3HD1 LEU 50 -1.435 -0.987 -0.663 358 HD21 LEU 50 3HD2 LEU 50 -2.427 -3.689 -1.435 359 HD22 LEU 50 1HD2 LEU 50 -1.589 -3.568 0.115 360 HD23 LEU 50 2HD2 LEU 50 -1.053 -4.745 -1.086 361 H HIS 51 H HIS 51 2.778 -4.157 -2.696 362 HA HIS 51 HA HIS 51 3.748 -3.152 -0.299 363 HB2 HIS 51 2HB HIS 51 4.981 -5.003 -2.335 364 HB3 HIS 51 1HB HIS 51 5.830 -4.564 -0.858 365 HD1 HIS 51 1HD HIS 51 2.279 -5.775 -1.569 366 HD2 HIS 51 2HD HIS 51 5.508 -6.538 0.931 367 HE1 HIS 51 1HE HIS 51 1.534 -7.641 -0.056 368 HE2 HIS 51 2HE HIS 51 3.469 -8.018 1.511 369 H SER 52 H SER 52 4.455 -2.287 -3.559 370 HA SER 52 HA SER 52 6.906 -0.885 -2.946 371 HB2 SER 52 2HB SER 52 5.213 -1.012 -5.451 372 HB3 SER 52 1HB SER 52 6.729 -0.117 -5.331 373 HG SER 52 HG SER 52 6.715 -2.803 -4.561 374 H MET 53 H MET 53 3.567 0.001 -3.812 375 HA MET 53 HA MET 53 3.925 2.776 -3.763 376 HB2 MET 53 2HB MET 53 1.618 2.965 -3.868 377 HB3 MET 53 1HB MET 53 1.878 1.357 -4.524 378 HG2 MET 53 2HG MET 53 0.100 1.053 -3.098 379 HG3 MET 53 1HG MET 53 1.473 0.545 -2.123 380 HE1 MET 53 3HE MET 53 -1.176 1.086 -0.619 381 HE2 MET 53 1HE MET 53 -0.615 2.106 0.705 382 HE3 MET 53 2HE MET 53 0.361 0.739 0.170 383 H VAL 54 H VAL 54 3.663 0.429 -1.264 384 HA VAL 54 HA VAL 54 2.842 1.882 0.928 385 HB VAL 54 HB VAL 54 4.873 -0.325 0.716 386 HG11 VAL 54 1HG1 VAL 54 5.391 0.909 2.723 387 HG12 VAL 54 2HG1 VAL 54 4.616 -0.620 3.146 388 HG13 VAL 54 3HG1 VAL 54 3.694 0.882 3.208 389 HG21 VAL 54 3HG2 VAL 54 2.865 -1.452 1.977 390 HG22 VAL 54 1HG2 VAL 54 2.868 -1.302 0.219 391 HG23 VAL 54 2HG2 VAL 54 1.948 -0.163 1.199 392 H GLN 55 H GLN 55 6.153 1.533 -0.327 393 HA GLN 55 HA GLN 55 7.235 3.349 1.609 394 HB2 GLN 55 2HB GLN 55 8.605 2.501 -0.916 395 HB3 GLN 55 1HB GLN 55 9.312 2.907 0.644 396 HG2 GLN 55 2HG GLN 55 8.441 0.860 1.600 397 HG3 GLN 55 1HG GLN 55 7.657 0.461 0.071 398 HE21 GLN 55 1HE2 GLN 55 10.815 1.924 0.265 399 HE22 GLN 55 2HE2 GLN 55 11.703 0.551 -0.289 400 H LYS 56 H LYS 56 5.483 3.727 -1.199 401 HA LYS 56 HA LYS 56 6.740 6.249 -1.977 402 HB2 LYS 56 2HB LYS 56 4.408 4.765 -3.205 403 HB3 LYS 56 1HB LYS 56 5.172 6.204 -3.866 404 HG2 LYS 56 2HG LYS 56 7.238 4.986 -4.208 405 HG3 LYS 56 1HG LYS 56 6.530 3.544 -3.476 406 HD2 LYS 56 2HD LYS 56 6.381 3.230 -5.815 407 HD3 LYS 56 1HD LYS 56 4.756 3.671 -5.282 408 HE2 LYS 56 2HE LYS 56 5.155 4.935 -7.233 409 HE3 LYS 56 1HE LYS 56 5.354 6.054 -5.884 410 HZ1 LYS 56 3HZ LYS 56 7.548 4.709 -7.367 411 HZ2 LYS 56 1HZ LYS 56 7.753 5.750 -6.047 412 HZ3 LYS 56 2HZ LYS 56 7.111 6.339 -7.497 413 H PHE 57 H PHE 57 4.161 5.018 -0.123 414 HA PHE 57 HA PHE 57 3.162 7.737 0.323 415 HB2 PHE 57 2HB PHE 57 1.553 5.323 -0.439 416 HB3 PHE 57 1HB PHE 57 0.832 6.632 0.495 417 HD1 PHE 57 2HD PHE 57 0.543 8.845 -0.484 418 HD2 PHE 57 1HD PHE 57 2.104 5.603 -2.757 419 HE1 PHE 57 2HE PHE 57 0.121 10.101 -2.558 420 HE2 PHE 57 1HE PHE 57 1.686 6.855 -4.834 421 HZ PHE 57 HZ PHE 57 0.693 9.107 -4.736 422 HA PRO 58 HA PRO 58 4.248 5.278 4.244 423 HB2 PRO 58 2HB PRO 58 5.305 7.600 5.382 424 HB3 PRO 58 1HB PRO 58 6.244 6.301 4.638 425 HG2 PRO 58 2HG PRO 58 5.344 8.903 3.472 426 HG3 PRO 58 1HG PRO 58 6.889 8.054 3.264 427 HD2 PRO 58 2HD PRO 58 5.050 7.991 1.344 428 HD3 PRO 58 1HD PRO 58 5.981 6.532 1.742 429 H GLY 59 H GLY 59 3.053 8.589 3.743 430 HA2 GLY 59 2HA GLY 59 1.686 8.891 6.164 431 HA3 GLY 59 1HA GLY 59 1.275 9.712 4.663 432 H VAL 60 H VAL 60 0.629 7.551 3.075 433 HA VAL 60 HA VAL 60 -2.049 7.040 3.807 434 HB VAL 60 HB VAL 60 -0.224 5.944 1.680 435 HG11 VAL 60 1HG1 VAL 60 -2.122 4.693 0.742 436 HG12 VAL 60 2HG1 VAL 60 -3.079 5.087 2.171 437 HG13 VAL 60 3HG1 VAL 60 -1.647 4.070 2.322 438 HG21 VAL 60 3HG2 VAL 60 -2.721 7.634 1.653 439 HG22 VAL 60 1HG2 VAL 60 -1.889 7.052 0.209 440 HG23 VAL 60 2HG2 VAL 60 -1.071 8.159 1.311 441 H SER 61 H SER 61 -3.028 5.190 4.646 442 HA SER 61 HA SER 61 -1.312 3.543 6.277 443 HB2 SER 61 2HB SER 61 -3.501 4.369 7.106 444 HB3 SER 61 1HB SER 61 -4.304 3.368 5.900 445 HG SER 61 HG SER 61 -3.391 1.541 6.903 446 H PHE 62 H PHE 62 -0.137 2.197 5.032 447 HA PHE 62 HA PHE 62 -1.122 0.755 2.812 448 HB2 PHE 62 2HB PHE 62 0.977 -0.709 3.334 449 HB3 PHE 62 1HB PHE 62 1.192 0.961 2.806 450 HD1 PHE 62 1HD PHE 62 1.407 -1.339 5.654 451 HD2 PHE 62 2HD PHE 62 2.028 2.646 4.299 452 HE1 PHE 62 1HE PHE 62 2.715 -0.858 7.681 453 HE2 PHE 62 2HE PHE 62 3.337 3.134 6.323 454 HZ PHE 62 HZ PHE 62 3.682 1.381 8.017 455 H GLY 63 H GLY 63 -2.313 -1.010 2.711 456 HA2 GLY 63 2HA GLY 63 -2.263 -2.925 4.922 457 HA3 GLY 63 1HA GLY 63 -3.811 -2.206 4.500 458 H ILE 64 H ILE 64 -3.389 -4.939 4.400 459 HA ILE 64 HA ILE 64 -4.105 -5.454 1.672 460 HB ILE 64 HB ILE 64 -1.479 -5.527 1.949 461 HG12 ILE 64 2HG1 ILE 64 -3.028 -7.643 0.452 462 HG13 ILE 64 1HG1 ILE 64 -2.731 -6.004 -0.108 463 HG21 ILE 64 1HG2 ILE 64 -1.425 -7.102 3.791 464 HG22 ILE 64 2HG2 ILE 64 -0.650 -7.792 2.366 465 HG23 ILE 64 3HG2 ILE 64 -2.276 -8.298 2.816 466 HD11 ILE 64 3HD1 ILE 64 -0.304 -6.488 -0.078 467 HD12 ILE 64 1HD1 ILE 64 -1.214 -7.495 -1.204 468 HD13 ILE 64 2HD1 ILE 64 -0.683 -8.161 0.339 469 H SER 65 H SER 65 -5.297 -7.315 1.463 470 HA SER 65 HA SER 65 -5.459 -9.132 3.739 471 HB2 SER 65 2HB SER 65 -7.121 -7.444 4.290 472 HB3 SER 65 1HB SER 65 -7.839 -7.592 2.686 473 HG SER 65 HG SER 65 -9.006 -9.125 3.492 474 H THR 66 H THR 66 -6.677 -11.072 3.301 475 HA THR 66 HA THR 66 -7.200 -11.643 0.481 476 HB THR 66 HB THR 66 -5.991 -13.800 0.637 477 HG1 THR 66 1HG THR 66 -5.585 -14.349 2.658 478 HG21 THR 66 3HG2 THR 66 -4.943 -11.757 -0.333 479 HG22 THR 66 1HG2 THR 66 -3.786 -12.915 0.323 480 HG23 THR 66 2HG2 THR 66 -4.187 -11.460 1.233 481 H ASP 67 H ASP 67 -8.100 -11.792 3.669 482 HA ASP 67 HA ASP 67 -9.397 -14.298 3.819 483 HB2 ASP 67 2HB ASP 67 -8.837 -12.839 5.777 484 HB3 ASP 67 1HB ASP 67 -10.143 -11.762 5.290 485 H SER 68 H SER 68 -11.483 -14.909 3.409 486 HA SER 68 HA SER 68 -12.791 -13.687 1.241 487 HB2 SER 68 2HB SER 68 -12.996 -16.077 1.701 488 HB3 SER 68 1HB SER 68 -13.844 -15.732 3.207 489 HG SER 68 HG SER 68 -14.820 -14.724 0.770 490 H GLU 69 H GLU 69 -13.632 -13.757 4.707 491 HA GLU 69 HA GLU 69 -16.044 -12.440 4.633 492 HB2 GLU 69 2HB GLU 69 -13.894 -12.091 6.719 493 HB3 GLU 69 1HB GLU 69 -15.600 -11.714 6.916 494 HG2 GLU 69 2HG GLU 69 -16.160 -14.071 6.609 495 HG3 GLU 69 1HG GLU 69 -14.449 -14.449 6.420 496 H VAL 70 H VAL 70 -12.818 -10.952 4.785 497 HA VAL 70 HA VAL 70 -13.824 -8.300 4.786 498 HB VAL 70 HB VAL 70 -11.083 -9.342 4.066 499 HG11 VAL 70 1HG1 VAL 70 -12.037 -6.515 4.472 500 HG12 VAL 70 2HG1 VAL 70 -11.368 -7.214 2.997 501 HG13 VAL 70 3HG1 VAL 70 -10.342 -6.997 4.414 502 HG21 VAL 70 3HG2 VAL 70 -11.415 -9.789 6.336 503 HG22 VAL 70 1HG2 VAL 70 -12.312 -8.291 6.587 504 HG23 VAL 70 2HG2 VAL 70 -10.570 -8.239 6.327 505 H LEU 71 H LEU 71 -12.305 -10.265 2.233 506 HA LEU 71 HA LEU 71 -12.616 -8.425 0.156 507 HB2 LEU 71 2HB LEU 71 -12.269 -11.382 0.301 508 HB3 LEU 71 1HB LEU 71 -12.723 -10.671 -1.237 509 HG LEU 71 HG LEU 71 -10.721 -9.396 -1.353 510 HD11 LEU 71 1HD1 LEU 71 -10.546 -8.630 0.912 511 HD12 LEU 71 2HD1 LEU 71 -9.039 -9.429 0.461 512 HD13 LEU 71 3HD1 LEU 71 -10.207 -10.264 1.484 513 HD21 LEU 71 3HD2 LEU 71 -10.061 -12.146 -0.311 514 HD22 LEU 71 1HD2 LEU 71 -8.991 -11.119 -1.266 515 HD23 LEU 71 2HD2 LEU 71 -10.483 -11.739 -1.974 516 H THR 72 H THR 72 -14.934 -10.191 1.872 517 HA THR 72 HA THR 72 -16.937 -10.124 -0.240 518 HB THR 72 HB THR 72 -17.088 -11.071 2.631 519 HG1 THR 72 1HG THR 72 -17.583 -12.978 0.842 520 HG21 THR 72 3HG2 THR 72 -19.160 -10.983 0.444 521 HG22 THR 72 1HG2 THR 72 -19.277 -10.359 2.088 522 HG23 THR 72 2HG2 THR 72 -19.272 -12.101 1.807 523 H HIS 73 H HIS 73 -16.264 -8.650 2.898 524 HA HIS 73 HA HIS 73 -18.590 -7.113 3.131 525 HB2 HIS 73 2HB HIS 73 -17.006 -7.486 4.983 526 HB3 HIS 73 1HB HIS 73 -15.812 -6.488 4.161 527 HD1 HIS 73 1HD HIS 73 -16.218 -3.923 4.147 528 HD2 HIS 73 2HD HIS 73 -19.027 -6.094 6.308 529 HE1 HIS 73 1HE HIS 73 -17.478 -2.226 5.511 530 HE2 HIS 73 2HE HIS 73 -19.243 -3.553 6.726 531 H TYR 74 H TYR 74 -15.517 -6.483 1.516 532 HA TYR 74 HA TYR 74 -16.438 -3.849 0.673 533 HB2 TYR 74 2HB TYR 74 -13.818 -5.307 0.469 534 HB3 TYR 74 1HB TYR 74 -14.124 -3.868 -0.497 535 HD1 TYR 74 1HD TYR 74 -13.605 -5.157 2.900 536 HD2 TYR 74 2HD TYR 74 -14.249 -1.683 0.529 537 HE1 TYR 74 1HE TYR 74 -12.933 -3.743 4.799 538 HE2 TYR 74 2HE TYR 74 -13.580 -0.261 2.420 539 HH TYR 74 HH TYR 74 -13.435 -0.369 4.844 540 H ASN 75 H ASN 75 -17.252 -6.728 -0.289 541 HA ASN 75 HA ASN 75 -18.078 -7.639 -2.199 542 HB2 ASN 75 2HB ASN 75 -19.143 -5.332 -2.210 543 HB3 ASN 75 1HB ASN 75 -17.920 -4.878 -3.391 544 HD21 ASN 75 1HD2 ASN 75 -19.355 -8.060 -3.214 545 HD22 ASN 75 2HD2 ASN 75 -20.229 -7.959 -4.700 546 H ILE 76 H ILE 76 -15.107 -7.176 -1.837 547 HA ILE 76 HA ILE 76 -13.843 -6.654 -4.267 548 HB ILE 76 HB ILE 76 -12.910 -8.625 -2.178 549 HG12 ILE 76 2HG1 ILE 76 -13.496 -6.486 -1.134 550 HG13 ILE 76 1HG1 ILE 76 -11.756 -6.731 -1.130 551 HG21 ILE 76 1HG2 ILE 76 -11.482 -7.077 -4.319 552 HG22 ILE 76 2HG2 ILE 76 -11.573 -8.825 -4.114 553 HG23 ILE 76 3HG2 ILE 76 -10.652 -7.850 -2.970 554 HD11 ILE 76 3HD1 ILE 76 -12.421 -4.421 -1.663 555 HD12 ILE 76 1HD1 ILE 76 -13.236 -5.016 -3.110 556 HD13 ILE 76 2HD1 ILE 76 -11.488 -5.182 -2.950 557 H THR 77 H THR 77 -14.024 -7.663 -6.156 558 HA THR 77 HA THR 77 -14.249 -10.590 -6.192 559 HB THR 77 HB THR 77 -15.910 -10.477 -8.018 560 HG1 THR 77 1HG THR 77 -15.768 -7.696 -7.451 561 HG21 THR 77 3HG2 THR 77 -17.844 -9.814 -6.642 562 HG22 THR 77 1HG2 THR 77 -16.743 -9.088 -5.472 563 HG23 THR 77 2HG2 THR 77 -16.706 -10.828 -5.756 564 H GLY 78 H GLY 78 -11.873 -9.355 -6.611 565 HA2 GLY 78 2HA GLY 78 -10.884 -10.374 -8.935 566 HA3 GLY 78 1HA GLY 78 -11.443 -8.774 -9.401 567 H ASN 79 H ASN 79 -9.835 -9.958 -6.452 568 HA ASN 79 HA ASN 79 -8.056 -9.120 -5.292 569 HB2 ASN 79 2HB ASN 79 -6.937 -8.819 -8.086 570 HB3 ASN 79 1HB ASN 79 -6.000 -8.898 -6.598 571 HD21 ASN 79 1HD2 ASN 79 -7.953 -10.680 -8.856 572 HD22 ASN 79 2HD2 ASN 79 -7.478 -12.256 -8.331 573 H THR 80 H THR 80 -10.030 -7.274 -5.666 574 HA THR 80 HA THR 80 -9.199 -4.817 -6.788 575 HB THR 80 HB THR 80 -11.299 -5.404 -4.691 576 HG1 THR 80 1HG THR 80 -11.207 -5.601 -7.457 577 HG21 THR 80 3HG2 THR 80 -12.303 -3.263 -5.337 578 HG22 THR 80 1HG2 THR 80 -10.940 -2.947 -6.409 579 HG23 THR 80 2HG2 THR 80 -10.685 -3.036 -4.668 580 H ILE 81 H ILE 81 -8.624 -2.883 -5.766 581 HA ILE 81 HA ILE 81 -7.435 -3.111 -3.072 582 HB ILE 81 HB ILE 81 -6.507 -1.456 -5.432 583 HG12 ILE 81 2HG1 ILE 81 -5.161 -3.682 -3.891 584 HG13 ILE 81 1HG1 ILE 81 -5.821 -3.811 -5.515 585 HG21 ILE 81 1HG2 ILE 81 -6.343 -0.179 -3.346 586 HG22 ILE 81 2HG2 ILE 81 -4.755 -0.587 -3.993 587 HG23 ILE 81 3HG2 ILE 81 -5.405 -1.488 -2.624 588 HD11 ILE 81 3HD1 ILE 81 -3.440 -3.589 -5.626 589 HD12 ILE 81 1HD1 ILE 81 -3.490 -2.127 -4.645 590 HD13 ILE 81 2HD1 ILE 81 -4.189 -2.125 -6.266 591 H CYS 82 H CYS 82 -8.505 -1.885 -1.610 592 HA CYS 82 HA CYS 82 -10.109 0.330 -2.678 593 HB2 CYS 82 2HB CYS 82 -10.452 -1.212 -0.115 594 HB3 CYS 82 1HB CYS 82 -11.467 0.129 -0.626 595 HG CYS 82 HG CYS 82 -12.925 -1.151 -2.385 596 H LEU 83 H LEU 83 -9.808 2.350 -2.091 597 HA LEU 83 HA LEU 83 -7.849 2.942 0.013 598 HB2 LEU 83 2HB LEU 83 -6.992 3.901 -1.903 599 HB3 LEU 83 1HB LEU 83 -8.573 4.249 -2.568 600 HG LEU 83 HG LEU 83 -8.836 6.166 -1.135 601 HD11 LEU 83 1HD1 LEU 83 -7.571 5.105 0.807 602 HD12 LEU 83 2HD1 LEU 83 -7.365 6.838 0.550 603 HD13 LEU 83 3HD1 LEU 83 -6.108 5.713 0.028 604 HD21 LEU 83 3HD2 LEU 83 -6.137 6.063 -2.466 605 HD22 LEU 83 1HD2 LEU 83 -6.912 7.540 -1.895 606 HD23 LEU 83 2HD2 LEU 83 -7.664 6.592 -3.175 607 H PHE 84 H PHE 84 -9.002 3.232 1.859 608 HA PHE 84 HA PHE 84 -11.486 4.769 1.742 609 HB2 PHE 84 2HB PHE 84 -11.150 2.514 3.018 610 HB3 PHE 84 1HB PHE 84 -10.407 3.528 4.248 611 HD1 PHE 84 1HD PHE 84 -11.799 5.518 5.114 612 HD2 PHE 84 2HD PHE 84 -13.443 2.232 2.967 613 HE1 PHE 84 1HE PHE 84 -14.026 6.047 6.015 614 HE2 PHE 84 2HE PHE 84 -15.673 2.755 3.865 615 HZ PHE 84 HZ PHE 84 -15.967 4.665 5.389 616 H ARG 85 H ARG 85 -11.529 6.852 2.249 617 HA ARG 85 HA ARG 85 -9.224 7.981 3.695 618 HB2 ARG 85 2HB ARG 85 -11.094 9.840 2.376 619 HB3 ARG 85 1HB ARG 85 -9.337 9.824 2.395 620 HG2 ARG 85 2HG ARG 85 -9.324 8.060 0.711 621 HG3 ARG 85 1HG ARG 85 -11.096 8.089 0.679 622 HD2 ARG 85 2HD ARG 85 -9.201 10.284 -0.138 623 HD3 ARG 85 1HD ARG 85 -10.311 9.380 -1.170 624 HE ARG 85 HE ARG 85 -11.673 10.777 0.913 625 HH11 ARG 85 1HH1 ARG 85 -10.207 11.132 -2.227 626 HH12 ARG 85 2HH1 ARG 85 -11.164 12.507 -2.662 627 HH21 ARG 85 1HH2 ARG 85 -12.938 12.593 0.347 628 HH22 ARG 85 2HH2 ARG 85 -12.715 13.338 -1.200 629 H LEU 86 H LEU 86 -10.036 7.416 5.736 630 HA LEU 86 HA LEU 86 -12.265 7.546 7.064 631 HB2 LEU 86 2HB LEU 86 -10.473 7.244 8.441 632 HB3 LEU 86 1HB LEU 86 -9.586 8.599 7.774 633 HG LEU 86 HG LEU 86 -11.123 10.136 9.005 634 HD11 LEU 86 1HD1 LEU 86 -12.468 9.224 10.825 635 HD12 LEU 86 2HD1 LEU 86 -12.051 7.585 10.321 636 HD13 LEU 86 3HD1 LEU 86 -13.016 8.615 9.264 637 HD21 LEU 86 3HD2 LEU 86 -9.539 8.149 10.622 638 HD22 LEU 86 1HD2 LEU 86 -10.101 9.716 11.208 639 HD23 LEU 86 2HD2 LEU 86 -8.938 9.635 9.883 640 H VAL 87 H VAL 87 -10.502 10.619 6.642 641 HA VAL 87 HA VAL 87 -12.142 12.426 7.730 642 HB VAL 87 HB VAL 87 -11.629 13.785 5.439 643 HG11 VAL 87 1HG1 VAL 87 -9.693 13.181 7.672 644 HG12 VAL 87 2HG1 VAL 87 -10.937 14.431 7.678 645 HG13 VAL 87 3HG1 VAL 87 -9.579 14.543 6.557 646 HG21 VAL 87 3HG2 VAL 87 -10.690 11.875 4.295 647 HG22 VAL 87 1HG2 VAL 87 -9.582 11.579 5.637 648 HG23 VAL 87 2HG2 VAL 87 -9.409 13.034 4.650 649 H ASP 88 H ASP 88 -12.491 11.937 4.224 650 HA ASP 88 HA ASP 88 -15.236 12.803 4.376 651 HB2 ASP 88 2HB ASP 88 -13.401 12.086 2.101 652 HB3 ASP 88 1HB ASP 88 -15.113 12.428 1.846 653 H ASN 89 H ASN 89 -13.800 9.976 4.982 654 HA ASN 89 HA ASN 89 -14.416 7.793 5.042 655 HB2 ASN 89 2HB ASN 89 -17.200 8.949 4.835 656 HB3 ASN 89 1HB ASN 89 -16.781 7.343 5.423 657 HD21 ASN 89 1HD2 ASN 89 -15.790 7.121 7.430 658 HD22 ASN 89 2HD2 ASN 89 -15.810 8.389 8.602 659 H GLU 90 H GLU 90 -13.757 8.792 2.451 660 HA GLU 90 HA GLU 90 -15.670 7.693 0.585 661 HB2 GLU 90 2HB GLU 90 -12.851 8.649 0.070 662 HB3 GLU 90 1HB GLU 90 -14.093 8.354 -1.139 663 HG2 GLU 90 2HG GLU 90 -14.255 10.431 1.021 664 HG3 GLU 90 1HG GLU 90 -13.756 10.735 -0.642 665 H GLN 91 H GLN 91 -15.119 6.010 -0.949 666 HA GLN 91 HA GLN 91 -13.011 4.173 -0.086 667 HB2 GLN 91 2HB GLN 91 -15.198 3.493 0.955 668 HB3 GLN 91 1HB GLN 91 -15.824 3.241 -0.668 669 HG2 GLN 91 2HG GLN 91 -13.320 1.868 0.192 670 HG3 GLN 91 1HG GLN 91 -14.889 1.242 0.697 671 HE21 GLN 91 1HE2 GLN 91 -16.308 0.437 -0.868 672 HE22 GLN 91 2HE2 GLN 91 -15.762 -0.017 -2.443 673 H LEU 92 H LEU 92 -11.793 4.500 -1.876 674 HA LEU 92 HA LEU 92 -12.959 4.388 -4.522 675 HB2 LEU 92 2HB LEU 92 -10.069 4.594 -3.667 676 HB3 LEU 92 1HB LEU 92 -10.658 4.761 -5.307 677 HG LEU 92 HG LEU 92 -10.195 6.946 -4.493 678 HD11 LEU 92 1HD1 LEU 92 -12.216 6.792 -5.821 679 HD12 LEU 92 2HD1 LEU 92 -12.379 8.041 -4.585 680 HD13 LEU 92 3HD1 LEU 92 -13.167 6.477 -4.369 681 HD21 LEU 92 3HD2 LEU 92 -10.287 6.297 -2.070 682 HD22 LEU 92 1HD2 LEU 92 -12.037 6.487 -2.163 683 HD23 LEU 92 2HD2 LEU 92 -10.982 7.868 -2.461 684 H ASN 93 H ASN 93 -13.392 2.465 -5.423 685 HA ASN 93 HA ASN 93 -11.862 0.145 -4.522 686 HB2 ASN 93 2HB ASN 93 -13.704 -1.062 -5.936 687 HB3 ASN 93 1HB ASN 93 -14.097 -0.412 -4.349 688 HD21 ASN 93 1HD2 ASN 93 -15.368 1.439 -4.200 689 HD22 ASN 93 2HD2 ASN 93 -16.312 2.014 -5.529 690 H LEU 94 H LEU 94 -10.025 0.040 -5.639 691 HA LEU 94 HA LEU 94 -9.947 0.352 -8.521 692 HB2 LEU 94 2HB LEU 94 -8.122 1.022 -6.791 693 HB3 LEU 94 1HB LEU 94 -7.713 -0.683 -6.780 694 HG LEU 94 HG LEU 94 -7.818 0.667 -9.421 695 HD11 LEU 94 1HD1 LEU 94 -6.646 2.329 -8.121 696 HD12 LEU 94 2HD1 LEU 94 -5.487 1.448 -9.119 697 HD13 LEU 94 3HD1 LEU 94 -5.622 1.088 -7.398 698 HD21 LEU 94 3HD2 LEU 94 -7.335 -1.724 -9.190 699 HD22 LEU 94 1HD2 LEU 94 -5.953 -1.343 -8.167 700 HD23 LEU 94 2HD2 LEU 94 -5.963 -0.844 -9.857 701 H GLU 95 H GLU 95 -11.494 -1.358 -8.894 702 HA GLU 95 HA GLU 95 -10.920 -4.050 -8.102 703 HB2 GLU 95 2HB GLU 95 -12.947 -3.104 -10.118 704 HB3 GLU 95 1HB GLU 95 -12.937 -4.635 -9.253 705 HG2 GLU 95 2HG GLU 95 -13.393 -3.550 -7.182 706 HG3 GLU 95 1HG GLU 95 -13.194 -1.957 -7.913 707 H ASP 96 H ASP 96 -11.701 -5.524 -10.238 708 HA ASP 96 HA ASP 96 -9.411 -6.272 -11.501 709 HB2 ASP 96 2HB ASP 96 -11.116 -7.055 -13.371 710 HB3 ASP 96 1HB ASP 96 -11.088 -7.810 -11.780 711 H GLU 97 H GLU 97 -11.881 -4.130 -12.916 712 HA GLU 97 HA GLU 97 -10.786 -3.649 -15.375 713 HB2 GLU 97 2HB GLU 97 -12.949 -2.743 -14.616 714 HB3 GLU 97 1HB GLU 97 -12.103 -1.597 -13.586 715 HG2 GLU 97 2HG GLU 97 -11.111 -0.550 -15.551 716 HG3 GLU 97 1HG GLU 97 -11.942 -1.709 -16.590 717 H ASP 98 H ASP 98 -9.451 -2.815 -12.358 718 HA ASP 98 HA ASP 98 -7.412 -1.162 -13.678 719 HB2 ASP 98 2HB ASP 98 -8.457 -0.855 -10.852 720 HB3 ASP 98 1HB ASP 98 -7.175 0.105 -11.588 721 H ILE 99 H ILE 99 -8.073 -3.948 -11.861 722 HA ILE 99 HA ILE 99 -5.420 -4.134 -10.677 723 HB ILE 99 HB ILE 99 -7.831 -5.943 -10.539 724 HG12 ILE 99 2HG1 ILE 99 -7.812 -3.794 -9.261 725 HG13 ILE 99 1HG1 ILE 99 -7.984 -5.232 -8.267 726 HG21 ILE 99 1HG2 ILE 99 -5.086 -6.353 -9.371 727 HG22 ILE 99 2HG2 ILE 99 -5.966 -7.421 -10.466 728 HG23 ILE 99 3HG2 ILE 99 -6.529 -7.199 -8.808 729 HD11 ILE 99 3HD1 ILE 99 -5.592 -5.092 -7.710 730 HD12 ILE 99 1HD1 ILE 99 -6.502 -3.665 -7.211 731 HD13 ILE 99 2HD1 ILE 99 -5.485 -3.604 -8.651 732 H GLU 100 H GLU 100 -7.318 -5.671 -13.227 733 HA GLU 100 HA GLU 100 -5.758 -7.831 -13.880 734 HB2 GLU 100 2HB GLU 100 -7.878 -7.346 -14.992 735 HB3 GLU 100 1HB GLU 100 -7.166 -5.945 -15.780 736 HG2 GLU 100 2HG GLU 100 -5.585 -7.469 -16.938 737 HG3 GLU 100 1HG GLU 100 -6.449 -8.833 -16.229 738 H SER 101 H SER 101 -5.330 -4.478 -14.951 739 HA SER 101 HA SER 101 -2.604 -5.189 -15.808 740 HB2 SER 101 2HB SER 101 -4.044 -4.546 -17.708 741 HB3 SER 101 1HB SER 101 -4.379 -3.002 -16.924 742 HG SER 101 HG SER 101 -2.693 -2.408 -18.054 743 H ILE 102 H ILE 102 -3.229 -4.516 -13.154 744 HA ILE 102 HA ILE 102 -2.855 -1.784 -12.570 745 HB ILE 102 HB ILE 102 -3.774 -3.366 -10.931 746 HG12 ILE 102 2HG1 ILE 102 -2.328 -2.604 -8.975 747 HG13 ILE 102 1HG1 ILE 102 -1.265 -1.868 -10.167 748 HG21 ILE 102 1HG2 ILE 102 -2.414 -5.308 -11.373 749 HG22 ILE 102 2HG2 ILE 102 -2.206 -4.838 -9.686 750 HG23 ILE 102 3HG2 ILE 102 -0.955 -4.453 -10.869 751 HD11 ILE 102 3HD1 ILE 102 -2.806 -0.252 -9.200 752 HD12 ILE 102 1HD1 ILE 102 -4.168 -1.205 -9.785 753 HD13 ILE 102 2HD1 ILE 102 -3.067 -0.444 -10.934 754 H ASP 103 H ASP 103 -1.059 -0.619 -12.031 755 HA ASP 103 HA ASP 103 1.557 -1.915 -12.190 756 HB2 ASP 103 2HB ASP 103 0.865 0.611 -13.704 757 HB3 ASP 103 1HB ASP 103 2.445 -0.163 -13.635 758 H ALA 104 H ALA 104 3.193 -0.832 -10.993 759 HA ALA 104 HA ALA 104 2.456 0.309 -8.619 760 HB1 ALA 104 1HB ALA 104 4.750 1.130 -8.406 761 HB2 ALA 104 2HB ALA 104 5.016 0.809 -10.122 762 HB3 ALA 104 3HB ALA 104 4.686 -0.524 -9.012 763 H THR 105 H THR 105 3.074 1.907 -11.681 764 HA THR 105 HA THR 105 2.954 4.572 -10.808 765 HB THR 105 HB THR 105 2.104 3.417 -13.472 766 HG1 THR 105 1HG THR 105 4.195 3.178 -13.693 767 HG21 THR 105 3HG2 THR 105 2.561 5.733 -14.288 768 HG22 THR 105 1HG2 THR 105 2.670 6.243 -12.604 769 HG23 THR 105 2HG2 THR 105 1.154 5.593 -13.231 770 H LYS 106 H LYS 106 0.441 2.414 -12.075 771 HA LYS 106 HA LYS 106 -1.702 4.191 -11.961 772 HB2 LYS 106 2HB LYS 106 -1.711 1.186 -11.613 773 HB3 LYS 106 1HB LYS 106 -3.130 2.172 -11.944 774 HG2 LYS 106 2HG LYS 106 -2.251 2.807 -14.092 775 HG3 LYS 106 1HG LYS 106 -0.737 1.962 -13.758 776 HD2 LYS 106 2HD LYS 106 -2.067 0.558 -15.171 777 HD3 LYS 106 1HD LYS 106 -2.054 -0.154 -13.556 778 HE2 LYS 106 2HE LYS 106 -4.247 0.824 -13.104 779 HE3 LYS 106 1HE LYS 106 -4.257 1.555 -14.708 780 HZ1 LYS 106 3HZ LYS 106 -4.220 -0.648 -15.682 781 HZ2 LYS 106 1HZ LYS 106 -5.546 -0.491 -14.643 782 HZ3 LYS 106 2HZ LYS 106 -4.182 -1.361 -14.148 783 H LEU 107 H LEU 107 -0.951 1.602 -9.594 784 HA LEU 107 HA LEU 107 -2.826 2.229 -7.688 785 HB2 LEU 107 2HB LEU 107 -0.624 0.547 -7.819 786 HB3 LEU 107 1HB LEU 107 -0.238 1.610 -6.482 787 HG LEU 107 HG LEU 107 -2.477 -0.367 -6.728 788 HD11 LEU 107 1HD1 LEU 107 -0.536 -1.230 -5.694 789 HD12 LEU 107 2HD1 LEU 107 -1.667 -0.876 -4.389 790 HD13 LEU 107 3HD1 LEU 107 -0.320 0.220 -4.714 791 HD21 LEU 107 3HD2 LEU 107 -3.600 1.675 -6.067 792 HD22 LEU 107 1HD2 LEU 107 -2.397 1.961 -4.809 793 HD23 LEU 107 2HD2 LEU 107 -3.490 0.581 -4.690 794 H SER 108 H SER 108 0.535 3.422 -7.762 795 HA SER 108 HA SER 108 0.323 5.221 -5.639 796 HB2 SER 108 2HB SER 108 2.088 5.366 -8.094 797 HB3 SER 108 1HB SER 108 2.313 6.325 -6.631 798 HG SER 108 HG SER 108 3.501 4.202 -6.931 799 H ARG 109 H ARG 109 -0.652 5.508 -8.971 800 HA ARG 109 HA ARG 109 -0.966 8.327 -8.996 801 HB2 ARG 109 2HB ARG 109 -0.719 6.905 -11.036 802 HB3 ARG 109 1HB ARG 109 -2.324 6.268 -10.741 803 HG2 ARG 109 2HG ARG 109 -1.896 9.209 -11.039 804 HG3 ARG 109 1HG ARG 109 -2.020 8.165 -12.456 805 HD2 ARG 109 2HD ARG 109 -4.179 7.298 -11.457 806 HD3 ARG 109 1HD ARG 109 -4.069 8.629 -10.301 807 HE ARG 109 HE ARG 109 -3.825 9.794 -12.775 808 HH11 ARG 109 1HH1 ARG 109 -6.193 7.814 -11.162 809 HH12 ARG 109 2HH1 ARG 109 -7.535 8.488 -12.025 810 HH21 ARG 109 1HH2 ARG 109 -5.583 10.687 -13.919 811 HH22 ARG 109 2HH2 ARG 109 -7.187 10.119 -13.598 812 H PHE 110 H PHE 110 -3.449 5.781 -9.146 813 HA PHE 110 HA PHE 110 -5.689 7.218 -8.625 814 HB2 PHE 110 2HB PHE 110 -4.894 4.442 -7.799 815 HB3 PHE 110 1HB PHE 110 -6.444 5.108 -7.281 816 HD1 PHE 110 2HD PHE 110 -4.420 4.196 -10.232 817 HD2 PHE 110 1HD PHE 110 -8.266 5.271 -8.766 818 HE1 PHE 110 2HE PHE 110 -5.413 3.574 -12.395 819 HE2 PHE 110 1HE PHE 110 -9.267 4.650 -10.925 820 HZ PHE 110 HZ PHE 110 -7.841 3.800 -12.744 821 H ILE 111 H ILE 111 -3.363 6.018 -6.241 822 HA ILE 111 HA ILE 111 -4.709 6.962 -3.951 823 HB ILE 111 HB ILE 111 -1.753 6.527 -4.415 824 HG12 ILE 111 2HG1 ILE 111 -3.761 4.827 -2.927 825 HG13 ILE 111 1HG1 ILE 111 -3.270 4.542 -4.591 826 HG21 ILE 111 1HG2 ILE 111 -3.242 6.999 -1.839 827 HG22 ILE 111 2HG2 ILE 111 -2.079 8.092 -2.593 828 HG23 ILE 111 3HG2 ILE 111 -1.547 6.528 -1.971 829 HD11 ILE 111 3HD1 ILE 111 -2.072 3.071 -3.117 830 HD12 ILE 111 1HD1 ILE 111 -1.504 4.440 -2.161 831 HD13 ILE 111 2HD1 ILE 111 -0.954 4.236 -3.825 832 H GLU 112 H GLU 112 -1.976 8.355 -5.760 833 HA GLU 112 HA GLU 112 -1.792 10.778 -4.434 834 HB2 GLU 112 2HB GLU 112 -0.205 9.893 -6.172 835 HB3 GLU 112 1HB GLU 112 -1.380 10.361 -7.400 836 HG2 GLU 112 2HG GLU 112 -1.174 12.689 -6.734 837 HG3 GLU 112 1HG GLU 112 -0.036 12.241 -5.465 838 H ILE 113 H ILE 113 -4.231 9.597 -6.476 839 HA ILE 113 HA ILE 113 -5.249 12.205 -7.222 840 HB ILE 113 HB ILE 113 -5.687 9.432 -8.083 841 HG12 ILE 113 2HG1 ILE 113 -5.922 10.509 -10.264 842 HG13 ILE 113 1HG1 ILE 113 -5.973 12.090 -9.492 843 HG21 ILE 113 1HG2 ILE 113 -7.902 9.755 -7.282 844 HG22 ILE 113 2HG2 ILE 113 -7.925 9.911 -9.038 845 HG23 ILE 113 3HG2 ILE 113 -7.998 11.352 -8.024 846 HD11 ILE 113 3HD1 ILE 113 -3.794 11.599 -10.485 847 HD12 ILE 113 1HD1 ILE 113 -3.635 10.198 -9.426 848 HD13 ILE 113 2HD1 ILE 113 -3.689 11.821 -8.739 849 H ASN 114 H ASN 114 -6.054 9.563 -5.013 850 HA ASN 114 HA ASN 114 -8.169 11.288 -3.903 851 HB2 ASN 114 2HB ASN 114 -8.235 8.283 -4.209 852 HB3 ASN 114 1HB ASN 114 -9.421 9.224 -3.305 853 HD21 ASN 114 1HD2 ASN 114 -9.582 7.537 -5.777 854 HD22 ASN 114 2HD2 ASN 114 -10.351 8.549 -6.946 855 H SER 115 H SER 115 -5.359 11.010 -3.078 856 HA SER 115 HA SER 115 -5.453 9.564 -0.577 857 HB2 SER 115 2HB SER 115 -3.154 10.368 -0.271 858 HB3 SER 115 1HB SER 115 -3.362 9.692 -1.886 859 HG SER 115 HG SER 115 -3.688 11.896 -2.602 860 H LEU 116 H LEU 116 -7.476 11.435 -0.693 861 HA LEU 116 HA LEU 116 -6.640 13.776 0.807 862 HB2 LEU 116 2HB LEU 116 -9.395 12.936 -0.083 863 HB3 LEU 116 1HB LEU 116 -8.949 14.499 0.582 864 HG LEU 116 HG LEU 116 -7.985 13.373 -2.050 865 HD11 LEU 116 1HD1 LEU 116 -10.335 13.978 -2.132 866 HD12 LEU 116 2HD1 LEU 116 -9.369 15.142 -3.040 867 HD13 LEU 116 3HD1 LEU 116 -9.973 15.556 -1.435 868 HD21 LEU 116 3HD2 LEU 116 -6.324 14.821 -1.001 869 HD22 LEU 116 1HD2 LEU 116 -7.542 16.078 -0.787 870 HD23 LEU 116 2HD2 LEU 116 -7.042 15.603 -2.410 Start of MODEL 19 1 H GLU 1 H GLU 1 24.769 7.712 0.036 2 HA GLU 1 HA GLU 1 26.978 8.562 1.595 3 HB2 GLU 1 2HB GLU 1 25.623 10.828 0.120 4 HB3 GLU 1 1HB GLU 1 26.812 11.005 1.402 5 HG2 GLU 1 2HG GLU 1 28.494 9.932 0.006 6 HG3 GLU 1 1HG GLU 1 27.303 9.721 -1.276 7 H VAL 2 H VAL 2 23.615 9.043 0.719 8 HA VAL 2 HA VAL 2 22.947 9.696 3.496 9 HB VAL 2 HB VAL 2 22.014 11.128 1.694 10 HG11 VAL 2 1HG1 VAL 2 20.215 10.265 0.281 11 HG12 VAL 2 2HG1 VAL 2 20.473 8.648 0.935 12 HG13 VAL 2 3HG1 VAL 2 21.733 9.422 -0.025 13 HG21 VAL 2 3HG2 VAL 2 20.024 9.567 3.336 14 HG22 VAL 2 1HG2 VAL 2 19.673 11.087 2.512 15 HG23 VAL 2 2HG2 VAL 2 20.868 11.041 3.808 16 H GLU 3 H GLU 3 21.414 8.510 4.671 17 HA GLU 3 HA GLU 3 20.469 6.608 5.481 18 HB2 GLU 3 2HB GLU 3 19.855 6.168 2.554 19 HB3 GLU 3 1HB GLU 3 19.132 5.268 3.879 20 HG2 GLU 3 2HG GLU 3 18.156 7.336 4.746 21 HG3 GLU 3 1HG GLU 3 18.868 8.228 3.401 22 H LYS 4 H LYS 4 22.617 5.884 6.084 23 HA LYS 4 HA LYS 4 23.685 3.728 4.402 24 HB2 LYS 4 2HB LYS 4 25.279 5.480 5.029 25 HB3 LYS 4 1HB LYS 4 24.945 5.192 6.731 26 HG2 LYS 4 2HG LYS 4 25.877 2.892 5.111 27 HG3 LYS 4 1HG LYS 4 27.046 4.155 5.496 28 HD2 LYS 4 2HD LYS 4 26.486 3.901 7.887 29 HD3 LYS 4 1HD LYS 4 25.382 2.590 7.470 30 HE2 LYS 4 2HE LYS 4 27.266 1.331 6.518 31 HE3 LYS 4 1HE LYS 4 28.359 2.634 6.985 32 HZ1 LYS 4 3HZ LYS 4 28.415 0.856 8.599 33 HZ2 LYS 4 1HZ LYS 4 26.743 0.966 8.836 34 HZ3 LYS 4 2HZ LYS 4 27.749 2.242 9.302 35 H SER 5 H SER 5 22.346 4.441 7.551 36 HA SER 5 HA SER 5 22.505 1.583 8.240 37 HB2 SER 5 2HB SER 5 22.265 2.298 10.601 38 HB3 SER 5 1HB SER 5 23.698 2.992 9.842 39 HG SER 5 HG SER 5 22.907 4.836 10.439 40 H SER 6 H SER 6 20.486 3.092 6.601 41 HA SER 6 HA SER 6 18.134 2.062 8.001 42 HB2 SER 6 2HB SER 6 18.240 4.481 8.512 43 HB3 SER 6 1HB SER 6 18.248 4.836 6.784 44 HG SER 6 HG SER 6 16.171 4.484 6.708 45 H ASP 7 H ASP 7 19.534 0.902 5.878 46 HA ASP 7 HA ASP 7 17.435 0.859 3.862 47 HB2 ASP 7 2HB ASP 7 19.019 2.497 2.976 48 HB3 ASP 7 1HB ASP 7 20.339 1.348 3.172 49 H GLY 8 H GLY 8 17.269 -1.090 2.753 50 HA2 GLY 8 2HA GLY 8 19.163 -3.203 3.561 51 HA3 GLY 8 1HA GLY 8 17.428 -3.459 3.674 52 HA PRO 9 HA PRO 9 19.107 -5.051 -0.451 53 HB2 PRO 9 2HB PRO 9 17.189 -7.201 0.274 54 HB3 PRO 9 1HB PRO 9 18.819 -7.326 -0.396 55 HG2 PRO 9 2HG PRO 9 18.350 -7.906 2.161 56 HG3 PRO 9 1HG PRO 9 19.833 -7.064 1.672 57 HD2 PRO 9 2HD PRO 9 17.361 -5.969 2.949 58 HD3 PRO 9 1HD PRO 9 19.062 -5.543 3.234 59 H GLY 10 H GLY 10 15.787 -5.626 0.737 60 HA2 GLY 10 2HA GLY 10 14.547 -3.747 -0.942 61 HA3 GLY 10 1HA GLY 10 14.534 -5.303 -1.758 62 H ALA 11 H ALA 11 13.490 -3.577 1.128 63 HA ALA 11 HA ALA 11 11.047 -5.096 1.201 64 HB1 ALA 11 1HB ALA 11 12.943 -5.308 3.539 65 HB2 ALA 11 2HB ALA 11 12.569 -6.605 2.403 66 HB3 ALA 11 3HB ALA 11 11.308 -5.964 3.457 67 H ALA 12 H ALA 12 12.972 -3.303 3.601 68 HA ALA 12 HA ALA 12 12.582 -1.397 4.770 69 HB1 ALA 12 1HB ALA 12 12.437 -0.525 2.396 70 HB2 ALA 12 2HB ALA 12 11.657 0.452 3.641 71 HB3 ALA 12 3HB ALA 12 10.684 -0.576 2.590 72 H GLN 13 H GLN 13 9.370 -1.521 3.286 73 HA GLN 13 HA GLN 13 8.212 -2.411 5.819 74 HB2 GLN 13 2HB GLN 13 6.514 -0.594 5.705 75 HB3 GLN 13 1HB GLN 13 8.145 -0.009 6.008 76 HG2 GLN 13 2HG GLN 13 8.353 0.577 3.631 77 HG3 GLN 13 1HG GLN 13 6.694 0.041 3.370 78 HE21 GLN 13 1HE2 GLN 13 5.814 1.078 5.967 79 HE22 GLN 13 2HE2 GLN 13 5.711 2.793 5.779 80 H GLU 14 H GLU 14 5.879 -2.955 5.594 81 HA GLU 14 HA GLU 14 5.038 -3.529 2.853 82 HB2 GLU 14 2HB GLU 14 4.596 -5.840 3.278 83 HB3 GLU 14 1HB GLU 14 6.259 -5.527 3.756 84 HG2 GLU 14 2HG GLU 14 5.501 -5.348 6.105 85 HG3 GLU 14 1HG GLU 14 3.881 -5.803 5.574 86 HA PRO 15 HA PRO 15 1.018 -2.374 4.214 87 HB2 PRO 15 2HB PRO 15 -0.585 -4.228 2.971 88 HB3 PRO 15 1HB PRO 15 0.115 -2.813 2.177 89 HG2 PRO 15 2HG PRO 15 1.019 -5.652 2.140 90 HG3 PRO 15 1HG PRO 15 1.016 -4.452 0.836 91 HD2 PRO 15 2HD PRO 15 3.253 -5.128 2.199 92 HD3 PRO 15 1HD PRO 15 2.990 -3.507 1.530 93 H THR 16 H THR 16 -0.508 -2.767 5.753 94 HA THR 16 HA THR 16 0.050 -4.645 7.764 95 HB THR 16 HB THR 16 -2.601 -3.256 7.340 96 HG1 THR 16 1HG THR 16 -1.688 -1.541 8.508 97 HG21 THR 16 3HG2 THR 16 -2.599 -4.982 9.071 98 HG22 THR 16 1HG2 THR 16 -2.744 -3.376 9.783 99 HG23 THR 16 2HG2 THR 16 -1.200 -4.227 9.833 100 H TRP 17 H TRP 17 -1.211 -6.376 8.550 101 HA TRP 17 HA TRP 17 -2.401 -7.970 6.405 102 HB2 TRP 17 2HB TRP 17 -1.561 -8.806 9.184 103 HB3 TRP 17 1HB TRP 17 -2.021 -9.877 7.865 104 HD1 TRP 17 HD TRP 17 -0.259 -9.942 5.729 105 HE1 TRP 17 1HE TRP 17 2.302 -9.680 5.722 106 HE3 TRP 17 3HE TRP 17 0.344 -7.708 10.288 107 HZ2 TRP 17 2HZ TRP 17 4.312 -8.662 7.426 108 HZ3 TRP 17 3HZ TRP 17 2.618 -7.123 11.024 109 HH2 TRP 17 HH TRP 17 4.559 -7.591 9.622 110 H LEU 18 H LEU 18 -4.480 -7.115 6.301 111 HA LEU 18 HA LEU 18 -6.109 -7.061 8.725 112 HB2 LEU 18 2HB LEU 18 -6.897 -6.317 5.911 113 HB3 LEU 18 1HB LEU 18 -7.759 -5.929 7.389 114 HG LEU 18 HG LEU 18 -5.028 -4.874 6.663 115 HD11 LEU 18 1HD1 LEU 18 -6.226 -2.721 6.380 116 HD12 LEU 18 2HD1 LEU 18 -7.747 -3.604 6.493 117 HD13 LEU 18 3HD1 LEU 18 -6.634 -3.935 5.169 118 HD21 LEU 18 3HD2 LEU 18 -5.477 -3.300 8.539 119 HD22 LEU 18 1HD2 LEU 18 -5.271 -4.979 9.039 120 HD23 LEU 18 2HD2 LEU 18 -6.885 -4.276 8.955 121 H THR 19 H THR 19 -5.982 -9.414 8.944 122 HA THR 19 HA THR 19 -7.168 -11.114 6.977 123 HB THR 19 HB THR 19 -6.935 -12.897 8.608 124 HG1 THR 19 1HG THR 19 -7.062 -10.835 10.363 125 HG21 THR 19 3HG2 THR 19 -4.928 -12.190 7.392 126 HG22 THR 19 1HG2 THR 19 -4.524 -12.761 9.010 127 HG23 THR 19 2HG2 THR 19 -4.561 -11.032 8.667 128 H ASP 20 H ASP 20 -8.545 -8.976 9.143 129 HA ASP 20 HA ASP 20 -11.106 -10.380 8.923 130 HB2 ASP 20 2HB ASP 20 -10.009 -9.230 11.493 131 HB3 ASP 20 1HB ASP 20 -11.661 -9.796 11.274 132 H VAL 21 H VAL 21 -12.935 -9.082 8.914 133 HA VAL 21 HA VAL 21 -12.747 -6.621 7.656 134 HB VAL 21 HB VAL 21 -15.078 -7.474 9.371 135 HG11 VAL 21 1HG1 VAL 21 -14.934 -5.752 6.900 136 HG12 VAL 21 2HG1 VAL 21 -15.163 -5.172 8.549 137 HG13 VAL 21 3HG1 VAL 21 -16.399 -6.174 7.789 138 HG21 VAL 21 3HG2 VAL 21 -14.427 -8.245 6.529 139 HG22 VAL 21 1HG2 VAL 21 -15.956 -8.567 7.346 140 HG23 VAL 21 2HG2 VAL 21 -14.471 -9.321 7.926 141 HA PRO 22 HA PRO 22 -13.672 -4.541 12.019 142 HB2 PRO 22 2HB PRO 22 -12.430 -5.918 14.073 143 HB3 PRO 22 1HB PRO 22 -14.159 -5.977 13.720 144 HG2 PRO 22 2HG PRO 22 -11.997 -7.890 12.937 145 HG3 PRO 22 1HG PRO 22 -13.644 -8.229 13.506 146 HD2 PRO 22 2HD PRO 22 -13.027 -8.406 10.919 147 HD3 PRO 22 1HD PRO 22 -14.590 -7.739 11.436 148 H ALA 23 H ALA 23 -10.717 -6.536 11.833 149 HA ALA 23 HA ALA 23 -8.985 -4.570 12.856 150 HB1 ALA 23 1HB ALA 23 -7.175 -5.945 12.026 151 HB2 ALA 23 2HB ALA 23 -8.286 -6.826 10.978 152 HB3 ALA 23 3HB ALA 23 -8.420 -6.977 12.731 153 H ALA 24 H ALA 24 -10.132 -5.319 9.662 154 HA ALA 24 HA ALA 24 -8.371 -3.684 8.183 155 HB1 ALA 24 1HB ALA 24 -9.717 -5.390 7.101 156 HB2 ALA 24 2HB ALA 24 -10.087 -3.812 6.405 157 HB3 ALA 24 3HB ALA 24 -11.200 -4.551 7.557 158 H MET 25 H MET 25 -11.756 -3.106 9.119 159 HA MET 25 HA MET 25 -11.850 -0.411 8.376 160 HB2 MET 25 2HB MET 25 -13.477 -1.769 10.530 161 HB3 MET 25 1HB MET 25 -13.898 -0.291 9.673 162 HG2 MET 25 2HG MET 25 -13.928 -1.630 7.560 163 HG3 MET 25 1HG MET 25 -13.735 -3.074 8.549 164 HE1 MET 25 3HE MET 25 -15.463 -2.406 11.109 165 HE2 MET 25 1HE MET 25 -15.542 -3.954 10.269 166 HE3 MET 25 2HE MET 25 -17.026 -3.084 10.656 167 H GLU 26 H GLU 26 -10.532 -1.954 11.193 168 HA GLU 26 HA GLU 26 -10.583 0.354 12.873 169 HB2 GLU 26 2HB GLU 26 -9.250 -2.315 12.986 170 HB3 GLU 26 1HB GLU 26 -8.664 -1.035 14.039 171 HG2 GLU 26 2HG GLU 26 -11.060 -0.753 14.800 172 HG3 GLU 26 1HG GLU 26 -11.393 -2.269 13.963 173 H PHE 27 H PHE 27 -7.994 -1.235 11.003 174 HA PHE 27 HA PHE 27 -6.029 0.689 11.524 175 HB2 PHE 27 2HB PHE 27 -6.408 -1.435 9.480 176 HB3 PHE 27 1HB PHE 27 -5.237 -0.171 9.110 177 HD1 PHE 27 1HD PHE 27 -6.070 -2.913 11.407 178 HD2 PHE 27 2HD PHE 27 -3.173 0.001 10.298 179 HE1 PHE 27 1HE PHE 27 -4.398 -4.046 12.811 180 HE2 PHE 27 2HE PHE 27 -1.495 -1.129 11.700 181 HZ PHE 27 HZ PHE 27 -2.107 -3.156 12.957 182 H ILE 28 H ILE 28 -8.674 0.590 9.267 183 HA ILE 28 HA ILE 28 -7.828 2.845 7.708 184 HB ILE 28 HB ILE 28 -10.441 1.375 7.987 185 HG12 ILE 28 2HG1 ILE 28 -8.715 1.814 5.548 186 HG13 ILE 28 1HG1 ILE 28 -8.482 0.460 6.654 187 HG21 ILE 28 1HG2 ILE 28 -9.915 3.867 6.379 188 HG22 ILE 28 2HG2 ILE 28 -11.103 3.651 7.661 189 HG23 ILE 28 3HG2 ILE 28 -11.295 2.802 6.131 190 HD11 ILE 28 3HD1 ILE 28 -9.843 0.037 4.560 191 HD12 ILE 28 1HD1 ILE 28 -11.113 0.991 5.323 192 HD13 ILE 28 2HD1 ILE 28 -10.545 -0.494 6.088 193 H ALA 29 H ALA 29 -9.926 2.328 10.484 194 HA ALA 29 HA ALA 29 -10.894 5.012 10.605 195 HB1 ALA 29 1HB ALA 29 -10.930 2.801 12.660 196 HB2 ALA 29 2HB ALA 29 -12.215 3.213 11.523 197 HB3 ALA 29 3HB ALA 29 -11.784 4.339 12.809 198 H ALA 30 H ALA 30 -8.025 3.450 11.600 199 HA ALA 30 HA ALA 30 -7.396 5.481 13.606 200 HB1 ALA 30 1HB ALA 30 -5.792 3.081 12.741 201 HB2 ALA 30 2HB ALA 30 -6.911 3.125 14.104 202 HB3 ALA 30 3HB ALA 30 -5.457 4.124 14.123 203 H THR 31 H THR 31 -7.600 6.121 10.734 204 HA THR 31 HA THR 31 -5.280 7.753 10.520 205 HB THR 31 HB THR 31 -4.251 5.637 9.824 206 HG1 THR 31 1HG THR 31 -3.507 6.422 7.764 207 HG21 THR 31 3HG2 THR 31 -6.584 4.893 8.834 208 HG22 THR 31 1HG2 THR 31 -5.069 4.264 8.191 209 HG23 THR 31 2HG2 THR 31 -5.904 5.571 7.355 210 H GLU 32 H GLU 32 -5.394 9.234 8.777 211 HA GLU 32 HA GLU 32 -8.033 9.923 7.974 212 HB2 GLU 32 2HB GLU 32 -5.982 11.446 8.338 213 HB3 GLU 32 1HB GLU 32 -5.527 10.997 6.698 214 HG2 GLU 32 2HG GLU 32 -7.668 11.857 5.884 215 HG3 GLU 32 1HG GLU 32 -8.091 12.332 7.529 216 H VAL 33 H VAL 33 -5.230 8.651 6.177 217 HA VAL 33 HA VAL 33 -7.097 7.816 4.052 218 HB VAL 33 HB VAL 33 -4.193 8.500 3.613 219 HG11 VAL 33 1HG1 VAL 33 -5.095 7.005 1.948 220 HG12 VAL 33 2HG1 VAL 33 -4.888 8.609 1.241 221 HG13 VAL 33 3HG1 VAL 33 -6.498 8.054 1.717 222 HG21 VAL 33 3HG2 VAL 33 -5.038 10.592 2.579 223 HG22 VAL 33 1HG2 VAL 33 -5.297 10.514 4.323 224 HG23 VAL 33 2HG2 VAL 33 -6.639 10.212 3.217 225 H ALA 34 H ALA 34 -7.029 5.716 3.430 226 HA ALA 34 HA ALA 34 -4.803 4.044 4.336 227 HB1 ALA 34 1HB ALA 34 -6.405 3.774 6.088 228 HB2 ALA 34 2HB ALA 34 -6.432 2.310 5.101 229 HB3 ALA 34 3HB ALA 34 -7.708 3.515 4.929 230 H VAL 35 H VAL 35 -4.118 2.714 2.816 231 HA VAL 35 HA VAL 35 -5.952 2.048 0.611 232 HB VAL 35 HB VAL 35 -2.976 2.530 0.542 233 HG11 VAL 35 1HG1 VAL 35 -3.406 0.530 -0.769 234 HG12 VAL 35 2HG1 VAL 35 -3.084 1.889 -1.845 235 HG13 VAL 35 3HG1 VAL 35 -4.739 1.332 -1.600 236 HG21 VAL 35 3HG2 VAL 35 -3.674 4.144 -1.220 237 HG22 VAL 35 1HG2 VAL 35 -4.323 4.508 0.382 238 HG23 VAL 35 2HG2 VAL 35 -5.355 3.755 -0.836 239 H ILE 36 H ILE 36 -6.359 -0.008 0.274 240 HA ILE 36 HA ILE 36 -4.619 -2.011 1.533 241 HB ILE 36 HB ILE 36 -7.622 -1.895 1.739 242 HG12 ILE 36 2HG1 ILE 36 -5.727 -1.978 4.048 243 HG13 ILE 36 1HG1 ILE 36 -5.967 -0.455 3.200 244 HG21 ILE 36 1HG2 ILE 36 -7.341 -3.898 3.201 245 HG22 ILE 36 2HG2 ILE 36 -5.664 -3.998 2.657 246 HG23 ILE 36 3HG2 ILE 36 -6.981 -4.191 1.499 247 HD11 ILE 36 3HD1 ILE 36 -7.413 -0.512 5.073 248 HD12 ILE 36 1HD1 ILE 36 -8.029 -2.103 4.620 249 HD13 ILE 36 2HD1 ILE 36 -8.401 -0.697 3.621 250 H GLY 37 H GLY 37 -4.278 -3.834 0.433 251 HA2 GLY 37 2HA GLY 37 -5.509 -4.037 -2.218 252 HA3 GLY 37 1HA GLY 37 -4.002 -4.788 -1.732 253 H PHE 38 H PHE 38 -7.403 -5.127 -1.972 254 HA PHE 38 HA PHE 38 -7.537 -7.539 -0.358 255 HB2 PHE 38 2HB PHE 38 -9.648 -6.358 -2.178 256 HB3 PHE 38 1HB PHE 38 -9.889 -7.550 -0.903 257 HD1 PHE 38 1HD PHE 38 -8.660 -4.073 -1.416 258 HD2 PHE 38 2HD PHE 38 -10.551 -6.850 1.194 259 HE1 PHE 38 1HE PHE 38 -9.081 -2.268 0.194 260 HE2 PHE 38 2HE PHE 38 -10.978 -5.042 2.806 261 HZ PHE 38 HZ PHE 38 -10.243 -2.750 2.308 262 H PHE 39 H PHE 39 -6.243 -9.042 -1.330 263 HA PHE 39 HA PHE 39 -6.876 -9.726 -4.122 264 HB2 PHE 39 2HB PHE 39 -4.333 -10.387 -2.642 265 HB3 PHE 39 1HB PHE 39 -4.635 -10.522 -4.373 266 HD1 PHE 39 2HD PHE 39 -5.855 -7.983 -5.052 267 HD2 PHE 39 1HD PHE 39 -2.664 -8.821 -2.364 268 HE1 PHE 39 2HE PHE 39 -4.981 -5.710 -5.386 269 HE2 PHE 39 1HE PHE 39 -1.788 -6.546 -2.691 270 HZ PHE 39 HZ PHE 39 -2.945 -4.988 -4.204 271 H GLN 40 H GLN 40 -7.329 -11.781 -4.695 272 HA GLN 40 HA GLN 40 -7.925 -13.664 -2.559 273 HB2 GLN 40 2HB GLN 40 -8.416 -13.814 -5.545 274 HB3 GLN 40 1HB GLN 40 -8.962 -15.005 -4.374 275 HG2 GLN 40 2HG GLN 40 -10.376 -13.342 -3.311 276 HG3 GLN 40 1HG GLN 40 -9.798 -12.115 -4.439 277 HE21 GLN 40 1HE2 GLN 40 -12.506 -13.105 -3.946 278 HE22 GLN 40 2HE2 GLN 40 -13.089 -13.673 -5.469 279 H ASP 41 H ASP 41 -5.360 -12.806 -4.360 280 HA ASP 41 HA ASP 41 -3.915 -15.250 -3.822 281 HB2 ASP 41 2HB ASP 41 -4.873 -15.654 -6.074 282 HB3 ASP 41 1HB ASP 41 -4.131 -14.158 -6.647 283 H LEU 42 H LEU 42 -2.028 -14.607 -2.963 284 HA LEU 42 HA LEU 42 -1.152 -11.873 -3.435 285 HB2 LEU 42 2HB LEU 42 -0.148 -13.952 -1.496 286 HB3 LEU 42 1HB LEU 42 0.454 -12.307 -1.603 287 HG LEU 42 HG LEU 42 -2.357 -13.107 -0.855 288 HD11 LEU 42 1HD1 LEU 42 -0.145 -11.936 0.826 289 HD12 LEU 42 2HD1 LEU 42 -0.678 -13.616 0.867 290 HD13 LEU 42 3HD1 LEU 42 -1.777 -12.329 1.365 291 HD21 LEU 42 3HD2 LEU 42 -2.527 -10.670 -0.243 292 HD22 LEU 42 1HD2 LEU 42 -2.467 -11.012 -1.973 293 HD23 LEU 42 2HD2 LEU 42 -1.029 -10.417 -1.141 294 H GLU 43 H GLU 43 -0.882 -13.301 -5.681 295 HA GLU 43 HA GLU 43 2.030 -13.410 -5.983 296 HB2 GLU 43 2HB GLU 43 0.146 -15.461 -7.165 297 HB3 GLU 43 1HB GLU 43 1.886 -15.399 -7.394 298 HG2 GLU 43 2HG GLU 43 2.224 -15.832 -5.030 299 HG3 GLU 43 1HG GLU 43 0.478 -15.866 -4.781 300 H ILE 44 H ILE 44 -0.603 -11.847 -6.735 301 HA ILE 44 HA ILE 44 -0.271 -11.670 -9.627 302 HB ILE 44 HB ILE 44 -2.114 -9.876 -9.314 303 HG12 ILE 44 2HG1 ILE 44 -2.810 -11.370 -6.844 304 HG13 ILE 44 1HG1 ILE 44 -1.606 -10.097 -6.720 305 HG21 ILE 44 1HG2 ILE 44 -2.828 -12.725 -8.640 306 HG22 ILE 44 2HG2 ILE 44 -2.364 -12.186 -10.257 307 HG23 ILE 44 3HG2 ILE 44 -3.814 -11.534 -9.493 308 HD11 ILE 44 3HD1 ILE 44 -3.310 -8.609 -7.866 309 HD12 ILE 44 1HD1 ILE 44 -3.627 -9.080 -6.198 310 HD13 ILE 44 2HD1 ILE 44 -4.472 -9.887 -7.519 311 HA PRO 45 HA PRO 45 2.296 -8.093 -9.931 312 HB2 PRO 45 2HB PRO 45 0.033 -6.825 -11.417 313 HB3 PRO 45 1HB PRO 45 1.739 -6.941 -11.860 314 HG2 PRO 45 2HG PRO 45 -0.037 -8.529 -13.015 315 HG3 PRO 45 1HG PRO 45 1.545 -9.165 -12.529 316 HD2 PRO 45 2HD PRO 45 -1.123 -9.528 -11.237 317 HD3 PRO 45 1HD PRO 45 0.226 -10.671 -11.383 318 H ALA 46 H ALA 46 -1.029 -7.669 -8.920 319 HA ALA 46 HA ALA 46 -0.873 -4.993 -8.068 320 HB1 ALA 46 1HB ALA 46 -2.953 -6.352 -8.455 321 HB2 ALA 46 2HB ALA 46 -2.950 -5.356 -6.998 322 HB3 ALA 46 3HB ALA 46 -2.662 -7.093 -6.881 323 H VAL 47 H VAL 47 -0.118 -8.016 -6.389 324 HA VAL 47 HA VAL 47 0.026 -6.931 -3.802 325 HB VAL 47 HB VAL 47 1.770 -9.225 -4.637 326 HG11 VAL 47 1HG1 VAL 47 1.171 -10.048 -2.391 327 HG12 VAL 47 2HG1 VAL 47 0.228 -8.583 -2.124 328 HG13 VAL 47 3HG1 VAL 47 1.974 -8.479 -2.345 329 HG21 VAL 47 3HG2 VAL 47 -0.444 -9.532 -5.680 330 HG22 VAL 47 1HG2 VAL 47 -1.189 -9.385 -4.090 331 HG23 VAL 47 2HG2 VAL 47 -0.105 -10.733 -4.433 332 HA PRO 48 HA PRO 48 4.844 -6.449 -4.514 333 HB2 PRO 48 2HB PRO 48 4.920 -6.177 -7.466 334 HB3 PRO 48 1HB PRO 48 6.041 -7.015 -6.386 335 HG2 PRO 48 2HG PRO 48 4.360 -8.379 -7.940 336 HG3 PRO 48 1HG PRO 48 4.730 -8.923 -6.293 337 HD2 PRO 48 2HD PRO 48 2.310 -7.499 -7.321 338 HD3 PRO 48 1HD PRO 48 2.422 -8.822 -6.149 339 H ILE 49 H ILE 49 2.637 -5.062 -6.891 340 HA ILE 49 HA ILE 49 3.822 -2.514 -7.037 341 HB ILE 49 HB ILE 49 1.190 -3.657 -7.818 342 HG12 ILE 49 2HG1 ILE 49 2.972 -1.973 -9.514 343 HG13 ILE 49 1HG1 ILE 49 3.484 -3.603 -9.098 344 HG21 ILE 49 1HG2 ILE 49 0.324 -1.647 -7.065 345 HG22 ILE 49 2HG2 ILE 49 0.663 -1.323 -8.763 346 HG23 ILE 49 3HG2 ILE 49 1.767 -0.745 -7.516 347 HD11 ILE 49 3HD1 ILE 49 0.806 -3.047 -10.317 348 HD12 ILE 49 1HD1 ILE 49 1.686 -4.573 -10.230 349 HD13 ILE 49 2HD1 ILE 49 2.256 -3.284 -11.293 350 H LEU 50 H LEU 50 1.386 -3.885 -4.892 351 HA LEU 50 HA LEU 50 0.714 -1.382 -3.679 352 HB2 LEU 50 2HB LEU 50 -0.894 -3.166 -3.583 353 HB3 LEU 50 1HB LEU 50 0.258 -4.229 -2.807 354 HG LEU 50 HG LEU 50 0.254 -2.647 -0.842 355 HD11 LEU 50 1HD1 LEU 50 -0.620 -0.689 -2.031 356 HD12 LEU 50 2HD1 LEU 50 -1.601 -1.098 -0.624 357 HD13 LEU 50 3HD1 LEU 50 -2.164 -1.515 -2.242 358 HD21 LEU 50 3HD2 LEU 50 -1.091 -4.798 -1.062 359 HD22 LEU 50 1HD2 LEU 50 -2.481 -3.765 -1.405 360 HD23 LEU 50 2HD2 LEU 50 -1.638 -3.630 0.140 361 H HIS 51 H HIS 51 2.675 -4.177 -2.652 362 HA HIS 51 HA HIS 51 3.655 -3.153 -0.271 363 HB2 HIS 51 2HB HIS 51 4.905 -4.995 -2.307 364 HB3 HIS 51 1HB HIS 51 5.737 -4.559 -0.821 365 HD1 HIS 51 1HD HIS 51 2.192 -5.777 -1.545 366 HD2 HIS 51 2HD HIS 51 5.433 -6.566 0.931 367 HE1 HIS 51 1HE HIS 51 1.466 -7.680 -0.072 368 HE2 HIS 51 2HE HIS 51 3.422 -8.102 1.458 369 H SER 52 H SER 52 4.404 -2.348 -3.549 370 HA SER 52 HA SER 52 6.840 -0.932 -2.936 371 HB2 SER 52 2HB SER 52 6.562 -1.996 -5.127 372 HB3 SER 52 1HB SER 52 5.165 -0.973 -5.460 373 HG SER 52 HG SER 52 7.845 -0.124 -5.074 374 H MET 53 H MET 53 3.509 -0.043 -3.841 375 HA MET 53 HA MET 53 3.870 2.731 -3.806 376 HB2 MET 53 2HB MET 53 1.568 2.919 -3.955 377 HB3 MET 53 1HB MET 53 1.827 1.295 -4.570 378 HG2 MET 53 2HG MET 53 0.023 1.048 -3.156 379 HG3 MET 53 1HG MET 53 1.381 0.536 -2.160 380 HE1 MET 53 3HE MET 53 -0.710 2.183 0.620 381 HE2 MET 53 1HE MET 53 0.305 0.816 0.161 382 HE3 MET 53 2HE MET 53 -1.224 1.097 -0.671 383 H VAL 54 H VAL 54 3.582 0.402 -1.291 384 HA VAL 54 HA VAL 54 2.737 1.887 0.878 385 HB VAL 54 HB VAL 54 4.750 -0.343 0.730 386 HG11 VAL 54 1HG1 VAL 54 3.481 0.835 3.190 387 HG12 VAL 54 2HG1 VAL 54 5.182 0.964 2.740 388 HG13 VAL 54 3HG1 VAL 54 4.488 -0.610 3.138 389 HG21 VAL 54 3HG2 VAL 54 2.701 -1.458 1.931 390 HG22 VAL 54 1HG2 VAL 54 2.746 -1.300 0.175 391 HG23 VAL 54 2HG2 VAL 54 1.811 -0.158 1.137 392 H GLN 55 H GLN 55 6.045 1.488 -0.358 393 HA GLN 55 HA GLN 55 7.146 3.303 1.572 394 HB2 GLN 55 2HB GLN 55 8.489 2.393 -0.953 395 HB3 GLN 55 1HB GLN 55 9.221 2.875 0.571 396 HG2 GLN 55 2HG GLN 55 8.292 0.864 1.632 397 HG3 GLN 55 1HG GLN 55 7.629 0.373 0.074 398 HE21 GLN 55 1HE2 GLN 55 10.728 1.938 0.446 399 HE22 GLN 55 2HE2 GLN 55 11.690 0.572 0.004 400 H LYS 56 H LYS 56 5.391 3.691 -1.223 401 HA LYS 56 HA LYS 56 6.679 6.194 -2.012 402 HB2 LYS 56 2HB LYS 56 4.346 4.717 -3.245 403 HB3 LYS 56 1HB LYS 56 5.119 6.150 -3.910 404 HG2 LYS 56 2HG LYS 56 7.187 4.924 -4.221 405 HG3 LYS 56 1HG LYS 56 6.462 3.486 -3.498 406 HD2 LYS 56 2HD LYS 56 6.340 3.164 -5.835 407 HD3 LYS 56 1HD LYS 56 4.713 3.628 -5.334 408 HE2 LYS 56 2HE LYS 56 5.177 4.873 -7.289 409 HE3 LYS 56 1HE LYS 56 5.338 5.997 -5.938 410 HZ1 LYS 56 3HZ LYS 56 7.733 5.714 -6.031 411 HZ2 LYS 56 1HZ LYS 56 7.142 6.251 -7.522 412 HZ3 LYS 56 2HZ LYS 56 7.583 4.630 -7.321 413 H PHE 57 H PHE 57 4.091 4.990 -0.154 414 HA PHE 57 HA PHE 57 3.115 7.722 0.271 415 HB2 PHE 57 2HB PHE 57 1.483 5.303 -0.427 416 HB3 PHE 57 1HB PHE 57 0.781 6.640 0.482 417 HD1 PHE 57 2HD PHE 57 2.132 5.576 -2.743 418 HD2 PHE 57 1HD PHE 57 0.397 8.782 -0.550 419 HE1 PHE 57 2HE PHE 57 1.724 6.787 -4.844 420 HE2 PHE 57 1HE PHE 57 -0.014 10.001 -2.646 421 HZ PHE 57 HZ PHE 57 0.652 9.002 -4.798 422 HA PRO 58 HA PRO 58 4.255 5.326 4.216 423 HB2 PRO 58 2HB PRO 58 5.293 7.681 5.307 424 HB3 PRO 58 1HB PRO 58 6.240 6.379 4.581 425 HG2 PRO 58 2HG PRO 58 5.302 8.947 3.372 426 HG3 PRO 58 1HG PRO 58 6.856 8.112 3.169 427 HD2 PRO 58 2HD PRO 58 5.011 7.984 1.261 428 HD3 PRO 58 1HD PRO 58 5.950 6.540 1.692 429 H GLY 59 H GLY 59 3.054 8.642 3.721 430 HA2 GLY 59 2HA GLY 59 1.691 8.942 6.139 431 HA3 GLY 59 1HA GLY 59 1.261 9.752 4.636 432 H VAL 60 H VAL 60 0.651 7.513 3.091 433 HA VAL 60 HA VAL 60 -2.031 7.018 3.840 434 HB VAL 60 HB VAL 60 -0.220 5.918 1.708 435 HG11 VAL 60 1HG1 VAL 60 -1.618 4.033 2.395 436 HG12 VAL 60 2HG1 VAL 60 -2.089 4.619 0.801 437 HG13 VAL 60 3HG1 VAL 60 -3.062 5.029 2.213 438 HG21 VAL 60 3HG2 VAL 60 -1.094 8.110 1.308 439 HG22 VAL 60 1HG2 VAL 60 -2.732 7.585 1.704 440 HG23 VAL 60 2HG2 VAL 60 -1.938 6.980 0.248 441 H SER 61 H SER 61 -3.006 5.148 4.657 442 HA SER 61 HA SER 61 -1.269 3.528 6.306 443 HB2 SER 61 2HB SER 61 -3.416 4.361 7.192 444 HB3 SER 61 1HB SER 61 -4.271 3.407 5.981 445 HG SER 61 HG SER 61 -3.376 1.534 6.930 446 H PHE 62 H PHE 62 -0.128 2.166 5.040 447 HA PHE 62 HA PHE 62 -1.130 0.726 2.845 448 HB2 PHE 62 2HB PHE 62 0.902 -0.799 3.379 449 HB3 PHE 62 1HB PHE 62 1.196 0.873 2.907 450 HD1 PHE 62 2HD PHE 62 1.174 -1.484 5.733 451 HD2 PHE 62 1HD PHE 62 2.133 2.452 4.429 452 HE1 PHE 62 2HE PHE 62 2.458 -1.116 7.799 453 HE2 PHE 62 1HE PHE 62 3.418 2.828 6.493 454 HZ PHE 62 HZ PHE 62 3.580 1.041 8.181 455 H GLY 63 H GLY 63 -2.266 -1.091 2.687 456 HA2 GLY 63 2HA GLY 63 -2.346 -2.968 4.918 457 HA3 GLY 63 1HA GLY 63 -3.871 -2.219 4.460 458 H ILE 64 H ILE 64 -3.446 -4.978 4.376 459 HA ILE 64 HA ILE 64 -4.156 -5.487 1.645 460 HB ILE 64 HB ILE 64 -1.547 -5.533 1.870 461 HG12 ILE 64 2HG1 ILE 64 -3.082 -7.740 0.497 462 HG13 ILE 64 1HG1 ILE 64 -2.796 -6.129 -0.145 463 HG21 ILE 64 1HG2 ILE 64 -0.675 -7.787 2.360 464 HG22 ILE 64 2HG2 ILE 64 -2.277 -8.260 2.918 465 HG23 ILE 64 3HG2 ILE 64 -1.382 -7.005 3.771 466 HD11 ILE 64 3HD1 ILE 64 -0.392 -6.580 -0.173 467 HD12 ILE 64 1HD1 ILE 64 -1.297 -7.728 -1.158 468 HD13 ILE 64 2HD1 ILE 64 -0.700 -8.210 0.429 469 H SER 65 H SER 65 -5.312 -7.391 1.414 470 HA SER 65 HA SER 65 -5.465 -9.202 3.694 471 HB2 SER 65 2HB SER 65 -7.148 -7.528 4.235 472 HB3 SER 65 1HB SER 65 -7.867 -7.701 2.633 473 HG SER 65 HG SER 65 -8.990 -9.275 3.424 474 H THR 66 H THR 66 -6.697 -11.143 3.259 475 HA THR 66 HA THR 66 -7.209 -11.729 0.442 476 HB THR 66 HB THR 66 -5.995 -13.879 0.597 477 HG1 THR 66 1HG THR 66 -4.345 -13.786 2.439 478 HG21 THR 66 3HG2 THR 66 -4.936 -11.842 -0.364 479 HG22 THR 66 1HG2 THR 66 -3.783 -12.994 0.307 480 HG23 THR 66 2HG2 THR 66 -4.199 -11.537 1.208 481 H ASP 67 H ASP 67 -8.205 -11.762 3.559 482 HA ASP 67 HA ASP 67 -9.478 -14.296 3.768 483 HB2 ASP 67 2HB ASP 67 -8.927 -12.881 5.727 484 HB3 ASP 67 1HB ASP 67 -10.141 -11.715 5.205 485 H SER 68 H SER 68 -11.608 -14.872 3.436 486 HA SER 68 HA SER 68 -12.903 -13.683 1.234 487 HB2 SER 68 2HB SER 68 -14.730 -15.275 1.705 488 HB3 SER 68 1HB SER 68 -13.150 -16.060 1.749 489 HG SER 68 HG SER 68 -14.738 -15.249 3.956 490 H GLU 69 H GLU 69 -13.773 -13.716 4.696 491 HA GLU 69 HA GLU 69 -16.133 -12.318 4.605 492 HB2 GLU 69 2HB GLU 69 -13.995 -11.979 6.706 493 HB3 GLU 69 1HB GLU 69 -15.704 -11.607 6.885 494 HG2 GLU 69 2HG GLU 69 -16.206 -14.009 6.494 495 HG3 GLU 69 1HG GLU 69 -14.470 -14.322 6.507 496 H VAL 70 H VAL 70 -12.866 -10.928 4.755 497 HA VAL 70 HA VAL 70 -13.774 -8.244 4.750 498 HB VAL 70 HB VAL 70 -11.083 -9.406 4.022 499 HG11 VAL 70 1HG1 VAL 70 -11.885 -6.523 4.390 500 HG12 VAL 70 2HG1 VAL 70 -11.310 -7.280 2.903 501 HG13 VAL 70 3HG1 VAL 70 -10.223 -7.104 4.281 502 HG21 VAL 70 3HG2 VAL 70 -11.686 -9.737 6.346 503 HG22 VAL 70 1HG2 VAL 70 -12.078 -8.026 6.509 504 HG23 VAL 70 2HG2 VAL 70 -10.412 -8.523 6.220 505 H LEU 71 H LEU 71 -12.340 -10.256 2.181 506 HA LEU 71 HA LEU 71 -12.620 -8.406 0.106 507 HB2 LEU 71 2HB LEU 71 -12.332 -11.368 0.250 508 HB3 LEU 71 1HB LEU 71 -12.791 -10.655 -1.284 509 HG LEU 71 HG LEU 71 -10.764 -9.410 -1.419 510 HD11 LEU 71 1HD1 LEU 71 -10.221 -10.320 1.399 511 HD12 LEU 71 2HD1 LEU 71 -10.546 -8.673 0.856 512 HD13 LEU 71 3HD1 LEU 71 -9.060 -9.487 0.367 513 HD21 LEU 71 3HD2 LEU 71 -10.530 -11.703 -2.107 514 HD22 LEU 71 1HD2 LEU 71 -10.225 -12.209 -0.445 515 HD23 LEU 71 2HD2 LEU 71 -9.054 -11.193 -1.289 516 H THR 72 H THR 72 -14.968 -10.113 1.834 517 HA THR 72 HA THR 72 -16.975 -9.993 -0.276 518 HB THR 72 HB THR 72 -17.168 -10.931 2.598 519 HG1 THR 72 1HG THR 72 -16.095 -12.121 0.568 520 HG21 THR 72 3HG2 THR 72 -19.189 -10.970 0.350 521 HG22 THR 72 1HG2 THR 72 -19.328 -10.138 1.899 522 HG23 THR 72 2HG2 THR 72 -19.351 -11.901 1.843 523 H HIS 73 H HIS 73 -16.204 -8.524 2.834 524 HA HIS 73 HA HIS 73 -18.498 -6.945 3.125 525 HB2 HIS 73 2HB HIS 73 -16.859 -7.359 4.931 526 HB3 HIS 73 1HB HIS 73 -15.690 -6.353 4.083 527 HD1 HIS 73 1HD HIS 73 -15.841 -3.861 4.424 528 HD2 HIS 73 2HD HIS 73 -19.098 -5.905 5.998 529 HE1 HIS 73 1HE HIS 73 -17.121 -2.158 5.759 530 HE2 HIS 73 2HE HIS 73 -19.124 -3.402 6.649 531 H TYR 74 H TYR 74 -15.437 -6.361 1.462 532 HA TYR 74 HA TYR 74 -16.343 -3.720 0.616 533 HB2 TYR 74 2HB TYR 74 -13.732 -5.193 0.245 534 HB3 TYR 74 1HB TYR 74 -14.063 -3.620 -0.473 535 HD1 TYR 74 2HD TYR 74 -13.954 -5.377 2.811 536 HD2 TYR 74 1HD TYR 74 -13.622 -1.677 0.737 537 HE1 TYR 74 2HE TYR 74 -13.218 -4.287 4.889 538 HE2 TYR 74 1HE TYR 74 -12.885 -0.577 2.808 539 HH TYR 74 HH TYR 74 -11.942 -2.302 5.574 540 H ASN 75 H ASN 75 -17.232 -6.569 -0.323 541 HA ASN 75 HA ASN 75 -18.007 -7.538 -2.225 542 HB2 ASN 75 2HB ASN 75 -19.006 -5.120 -2.231 543 HB3 ASN 75 1HB ASN 75 -17.943 -4.893 -3.614 544 HD21 ASN 75 1HD2 ASN 75 -18.239 -7.751 -4.368 545 HD22 ASN 75 2HD2 ASN 75 -19.794 -7.862 -5.111 546 H ILE 76 H ILE 76 -15.101 -7.225 -1.883 547 HA ILE 76 HA ILE 76 -13.814 -6.612 -4.301 548 HB ILE 76 HB ILE 76 -12.909 -8.622 -2.239 549 HG12 ILE 76 2HG1 ILE 76 -13.488 -6.488 -1.181 550 HG13 ILE 76 1HG1 ILE 76 -11.754 -6.761 -1.149 551 HG21 ILE 76 1HG2 ILE 76 -11.623 -8.737 -4.273 552 HG22 ILE 76 2HG2 ILE 76 -10.654 -7.997 -3.000 553 HG23 ILE 76 3HG2 ILE 76 -11.378 -6.992 -4.253 554 HD11 ILE 76 3HD1 ILE 76 -12.308 -4.441 -1.665 555 HD12 ILE 76 1HD1 ILE 76 -13.204 -4.971 -3.088 556 HD13 ILE 76 2HD1 ILE 76 -11.459 -5.216 -3.002 557 H THR 77 H THR 77 -13.957 -7.599 -6.206 558 HA THR 77 HA THR 77 -14.169 -10.519 -6.297 559 HB THR 77 HB THR 77 -15.840 -10.336 -8.163 560 HG1 THR 77 1HG THR 77 -16.365 -7.731 -7.174 561 HG21 THR 77 3HG2 THR 77 -16.693 -9.303 -5.459 562 HG22 THR 77 1HG2 THR 77 -16.553 -10.994 -5.940 563 HG23 THR 77 2HG2 THR 77 -17.776 -9.964 -6.684 564 H GLY 78 H GLY 78 -11.810 -9.561 -6.719 565 HA2 GLY 78 2HA GLY 78 -10.837 -10.398 -9.062 566 HA3 GLY 78 1HA GLY 78 -11.412 -8.796 -9.501 567 H ASN 79 H ASN 79 -9.843 -9.927 -6.517 568 HA ASN 79 HA ASN 79 -8.058 -9.105 -5.363 569 HB2 ASN 79 2HB ASN 79 -6.930 -8.824 -8.154 570 HB3 ASN 79 1HB ASN 79 -5.994 -8.871 -6.663 571 HD21 ASN 79 1HD2 ASN 79 -7.936 -10.705 -8.892 572 HD22 ASN 79 2HD2 ASN 79 -7.448 -12.268 -8.342 573 H THR 80 H THR 80 -10.024 -7.259 -5.721 574 HA THR 80 HA THR 80 -9.186 -4.802 -6.849 575 HB THR 80 HB THR 80 -11.302 -5.386 -4.765 576 HG1 THR 80 1HG THR 80 -12.018 -6.337 -6.567 577 HG21 THR 80 3HG2 THR 80 -12.290 -3.230 -5.449 578 HG22 THR 80 1HG2 THR 80 -10.870 -2.913 -6.446 579 HG23 THR 80 2HG2 THR 80 -10.709 -3.031 -4.694 580 H ILE 81 H ILE 81 -8.668 -2.855 -5.807 581 HA ILE 81 HA ILE 81 -7.453 -3.089 -3.126 582 HB ILE 81 HB ILE 81 -6.529 -1.453 -5.498 583 HG12 ILE 81 2HG1 ILE 81 -5.184 -3.655 -3.921 584 HG13 ILE 81 1HG1 ILE 81 -5.839 -3.806 -5.547 585 HG21 ILE 81 1HG2 ILE 81 -4.783 -0.554 -4.072 586 HG22 ILE 81 2HG2 ILE 81 -5.426 -1.444 -2.692 587 HG23 ILE 81 3HG2 ILE 81 -6.374 -0.149 -3.423 588 HD11 ILE 81 3HD1 ILE 81 -4.202 -2.112 -6.302 589 HD12 ILE 81 1HD1 ILE 81 -3.469 -3.590 -5.677 590 HD13 ILE 81 2HD1 ILE 81 -3.500 -2.133 -4.684 591 H CYS 82 H CYS 82 -8.514 -1.862 -1.665 592 HA CYS 82 HA CYS 82 -10.121 0.357 -2.719 593 HB2 CYS 82 2HB CYS 82 -10.474 -1.205 -0.170 594 HB3 CYS 82 1HB CYS 82 -11.491 0.138 -0.679 595 HG CYS 82 HG CYS 82 -12.886 -2.245 -1.106 596 H LEU 83 H LEU 83 -9.871 2.371 -2.079 597 HA LEU 83 HA LEU 83 -7.894 2.940 0.020 598 HB2 LEU 83 2HB LEU 83 -7.047 3.924 -1.890 599 HB3 LEU 83 1HB LEU 83 -8.630 4.293 -2.534 600 HG LEU 83 HG LEU 83 -8.874 6.176 -1.044 601 HD11 LEU 83 1HD1 LEU 83 -6.130 5.671 0.062 602 HD12 LEU 83 2HD1 LEU 83 -7.589 5.071 0.852 603 HD13 LEU 83 3HD1 LEU 83 -7.360 6.805 0.627 604 HD21 LEU 83 3HD2 LEU 83 -7.737 6.658 -3.088 605 HD22 LEU 83 1HD2 LEU 83 -6.202 6.095 -2.426 606 HD23 LEU 83 2HD2 LEU 83 -6.950 7.561 -1.795 607 H PHE 84 H PHE 84 -9.025 3.237 1.877 608 HA PHE 84 HA PHE 84 -11.512 4.776 1.773 609 HB2 PHE 84 2HB PHE 84 -11.221 2.507 3.018 610 HB3 PHE 84 1HB PHE 84 -10.438 3.480 4.258 611 HD1 PHE 84 1HD PHE 84 -11.785 5.545 5.097 612 HD2 PHE 84 2HD PHE 84 -13.509 2.223 3.068 613 HE1 PHE 84 1HE PHE 84 -13.987 6.119 6.035 614 HE2 PHE 84 2HE PHE 84 -15.714 2.793 4.002 615 HZ PHE 84 HZ PHE 84 -15.954 4.743 5.486 616 H ARG 85 H ARG 85 -11.522 6.862 2.283 617 HA ARG 85 HA ARG 85 -9.213 7.951 3.750 618 HB2 ARG 85 2HB ARG 85 -11.047 9.849 2.443 619 HB3 ARG 85 1HB ARG 85 -9.290 9.804 2.465 620 HG2 ARG 85 2HG ARG 85 -9.285 8.090 0.749 621 HG3 ARG 85 1HG ARG 85 -11.057 8.081 0.741 622 HD2 ARG 85 2HD ARG 85 -9.212 10.307 -0.103 623 HD3 ARG 85 1HD ARG 85 -10.362 9.415 -1.100 624 HE ARG 85 HE ARG 85 -11.700 10.729 1.019 625 HH11 ARG 85 1HH1 ARG 85 -10.141 11.331 -2.038 626 HH12 ARG 85 2HH1 ARG 85 -11.069 12.754 -2.378 627 HH21 ARG 85 1HH2 ARG 85 -12.925 12.605 0.581 628 HH22 ARG 85 2HH2 ARG 85 -12.648 13.479 -0.889 629 H LEU 86 H LEU 86 -9.960 7.477 5.800 630 HA LEU 86 HA LEU 86 -12.197 7.582 7.138 631 HB2 LEU 86 2HB LEU 86 -10.361 7.301 8.478 632 HB3 LEU 86 1HB LEU 86 -9.532 8.700 7.825 633 HG LEU 86 HG LEU 86 -11.092 10.162 9.099 634 HD11 LEU 86 1HD1 LEU 86 -11.987 7.556 10.331 635 HD12 LEU 86 2HD1 LEU 86 -12.964 8.615 9.312 636 HD13 LEU 86 3HD1 LEU 86 -12.424 9.169 10.897 637 HD21 LEU 86 3HD2 LEU 86 -9.497 8.162 10.691 638 HD22 LEU 86 1HD2 LEU 86 -10.071 9.718 11.292 639 HD23 LEU 86 2HD2 LEU 86 -8.898 9.661 9.976 640 H VAL 87 H VAL 87 -10.463 10.665 6.654 641 HA VAL 87 HA VAL 87 -12.072 12.488 7.737 642 HB VAL 87 HB VAL 87 -11.670 13.769 5.372 643 HG11 VAL 87 1HG1 VAL 87 -9.674 13.301 7.582 644 HG12 VAL 87 2HG1 VAL 87 -10.928 14.540 7.545 645 HG13 VAL 87 3HG1 VAL 87 -9.593 14.603 6.394 646 HG21 VAL 87 3HG2 VAL 87 -10.733 11.825 4.286 647 HG22 VAL 87 1HG2 VAL 87 -9.571 11.617 5.600 648 HG23 VAL 87 2HG2 VAL 87 -9.467 13.027 4.542 649 H ASP 88 H ASP 88 -12.543 12.129 4.253 650 HA ASP 88 HA ASP 88 -15.294 12.884 4.507 651 HB2 ASP 88 2HB ASP 88 -13.502 12.208 2.192 652 HB3 ASP 88 1HB ASP 88 -15.238 12.422 1.963 653 H ASN 89 H ASN 89 -13.808 10.085 5.110 654 HA ASN 89 HA ASN 89 -14.409 7.902 5.251 655 HB2 ASN 89 2HB ASN 89 -17.208 9.018 5.010 656 HB3 ASN 89 1HB ASN 89 -16.772 7.427 5.630 657 HD21 ASN 89 1HD2 ASN 89 -15.760 7.261 7.639 658 HD22 ASN 89 2HD2 ASN 89 -15.803 8.549 8.788 659 H GLU 90 H GLU 90 -13.822 8.940 2.615 660 HA GLU 90 HA GLU 90 -15.678 7.773 0.762 661 HB2 GLU 90 2HB GLU 90 -12.831 8.648 0.267 662 HB3 GLU 90 1HB GLU 90 -14.067 8.363 -0.948 663 HG2 GLU 90 2HG GLU 90 -14.181 10.487 1.167 664 HG3 GLU 90 1HG GLU 90 -13.681 10.742 -0.501 665 H GLN 91 H GLN 91 -15.100 6.065 -0.755 666 HA GLN 91 HA GLN 91 -13.034 4.217 0.144 667 HB2 GLN 91 2HB GLN 91 -15.167 3.588 1.297 668 HB3 GLN 91 1HB GLN 91 -15.883 3.307 -0.284 669 HG2 GLN 91 2HG GLN 91 -13.343 1.914 0.294 670 HG3 GLN 91 1HG GLN 91 -14.770 1.379 1.184 671 HE21 GLN 91 1HE2 GLN 91 -13.221 1.591 -1.903 672 HE22 GLN 91 2HE2 GLN 91 -14.311 0.558 -2.758 673 H LEU 92 H LEU 92 -11.917 4.621 -1.739 674 HA LEU 92 HA LEU 92 -13.163 4.384 -4.318 675 HB2 LEU 92 2HB LEU 92 -10.236 4.494 -3.568 676 HB3 LEU 92 1HB LEU 92 -10.866 4.611 -5.196 677 HG LEU 92 HG LEU 92 -10.320 6.809 -4.552 678 HD11 LEU 92 1HD1 LEU 92 -12.449 6.692 -5.689 679 HD12 LEU 92 2HD1 LEU 92 -12.470 7.984 -4.487 680 HD13 LEU 92 3HD1 LEU 92 -13.284 6.455 -4.152 681 HD21 LEU 92 3HD2 LEU 92 -11.970 6.572 -2.056 682 HD22 LEU 92 1HD2 LEU 92 -10.839 7.847 -2.506 683 HD23 LEU 92 2HD2 LEU 92 -10.240 6.242 -2.091 684 H ASN 93 H ASN 93 -12.965 2.654 -5.771 685 HA ASN 93 HA ASN 93 -11.824 0.201 -4.606 686 HB2 ASN 93 2HB ASN 93 -13.726 -0.900 -6.084 687 HB3 ASN 93 1HB ASN 93 -14.044 -0.343 -4.446 688 HD21 ASN 93 1HD2 ASN 93 -16.208 0.017 -4.799 689 HD22 ASN 93 2HD2 ASN 93 -16.797 1.300 -5.794 690 H LEU 94 H LEU 94 -9.961 0.155 -5.732 691 HA LEU 94 HA LEU 94 -9.903 0.401 -8.613 692 HB2 LEU 94 2HB LEU 94 -8.068 1.084 -6.906 693 HB3 LEU 94 1HB LEU 94 -7.671 -0.622 -6.868 694 HG LEU 94 HG LEU 94 -7.780 0.674 -9.532 695 HD11 LEU 94 1HD1 LEU 94 -5.568 1.135 -7.533 696 HD12 LEU 94 2HD1 LEU 94 -6.606 2.363 -8.261 697 HD13 LEU 94 3HD1 LEU 94 -5.456 1.473 -9.261 698 HD21 LEU 94 3HD2 LEU 94 -7.297 -1.693 -9.313 699 HD22 LEU 94 1HD2 LEU 94 -5.965 -1.340 -8.212 700 HD23 LEU 94 2HD2 LEU 94 -5.876 -0.832 -9.900 701 H GLU 95 H GLU 95 -11.422 -1.303 -9.031 702 HA GLU 95 HA GLU 95 -10.840 -3.996 -8.205 703 HB2 GLU 95 2HB GLU 95 -12.905 -3.060 -10.187 704 HB3 GLU 95 1HB GLU 95 -12.871 -4.596 -9.331 705 HG2 GLU 95 2HG GLU 95 -13.304 -3.524 -7.249 706 HG3 GLU 95 1HG GLU 95 -13.125 -1.927 -7.972 707 H ASP 96 H ASP 96 -11.663 -5.456 -10.362 708 HA ASP 96 HA ASP 96 -9.381 -6.191 -11.647 709 HB2 ASP 96 2HB ASP 96 -11.126 -6.923 -13.524 710 HB3 ASP 96 1HB ASP 96 -11.030 -7.736 -11.964 711 H GLU 97 H GLU 97 -11.831 -3.983 -12.991 712 HA GLU 97 HA GLU 97 -10.760 -3.490 -15.461 713 HB2 GLU 97 2HB GLU 97 -12.000 -1.431 -13.629 714 HB3 GLU 97 1HB GLU 97 -11.841 -1.290 -15.374 715 HG2 GLU 97 2HG GLU 97 -13.484 -3.333 -13.897 716 HG3 GLU 97 1HG GLU 97 -14.096 -1.921 -14.758 717 H ASP 98 H ASP 98 -9.358 -2.752 -12.459 718 HA ASP 98 HA ASP 98 -7.281 -1.153 -13.787 719 HB2 ASP 98 2HB ASP 98 -8.387 -0.772 -10.992 720 HB3 ASP 98 1HB ASP 98 -6.995 0.086 -11.652 721 H ILE 99 H ILE 99 -8.029 -3.904 -11.944 722 HA ILE 99 HA ILE 99 -5.385 -4.163 -10.754 723 HB ILE 99 HB ILE 99 -7.842 -5.913 -10.622 724 HG12 ILE 99 2HG1 ILE 99 -7.805 -3.759 -9.356 725 HG13 ILE 99 1HG1 ILE 99 -7.997 -5.188 -8.350 726 HG21 ILE 99 1HG2 ILE 99 -6.603 -7.208 -8.894 727 HG22 ILE 99 2HG2 ILE 99 -5.132 -6.368 -9.386 728 HG23 ILE 99 3HG2 ILE 99 -5.976 -7.410 -10.533 729 HD11 ILE 99 3HD1 ILE 99 -5.603 -5.071 -7.790 730 HD12 ILE 99 1HD1 ILE 99 -6.500 -3.634 -7.299 731 HD13 ILE 99 2HD1 ILE 99 -5.481 -3.587 -8.738 732 H GLU 100 H GLU 100 -7.262 -5.502 -13.394 733 HA GLU 100 HA GLU 100 -5.767 -7.756 -14.015 734 HB2 GLU 100 2HB GLU 100 -7.908 -7.214 -15.087 735 HB3 GLU 100 1HB GLU 100 -7.156 -5.861 -15.918 736 HG2 GLU 100 2HG GLU 100 -7.427 -7.781 -17.387 737 HG3 GLU 100 1HG GLU 100 -5.725 -7.381 -17.154 738 H SER 101 H SER 101 -5.266 -4.388 -14.959 739 HA SER 101 HA SER 101 -2.574 -5.129 -15.902 740 HB2 SER 101 2HB SER 101 -4.375 -2.941 -16.976 741 HB3 SER 101 1HB SER 101 -2.722 -3.248 -17.505 742 HG SER 101 HG SER 101 -4.818 -4.280 -18.546 743 H ILE 102 H ILE 102 -3.291 -4.414 -13.224 744 HA ILE 102 HA ILE 102 -2.833 -1.710 -12.635 745 HB ILE 102 HB ILE 102 -3.794 -3.261 -11.002 746 HG12 ILE 102 2HG1 ILE 102 -2.304 -2.570 -9.042 747 HG13 ILE 102 1HG1 ILE 102 -1.250 -1.830 -10.239 748 HG21 ILE 102 1HG2 ILE 102 -1.020 -4.455 -10.965 749 HG22 ILE 102 2HG2 ILE 102 -2.522 -5.252 -11.434 750 HG23 ILE 102 3HG2 ILE 102 -2.262 -4.782 -9.755 751 HD11 ILE 102 3HD1 ILE 102 -2.651 -0.139 -9.350 752 HD12 ILE 102 1HD1 ILE 102 -4.093 -1.112 -9.625 753 HD13 ILE 102 2HD1 ILE 102 -3.192 -0.471 -10.996 754 H ASP 103 H ASP 103 -1.035 -0.563 -12.138 755 HA ASP 103 HA ASP 103 1.569 -1.896 -12.247 756 HB2 ASP 103 2HB ASP 103 0.924 0.650 -13.749 757 HB3 ASP 103 1HB ASP 103 2.489 -0.152 -13.681 758 H ALA 104 H ALA 104 3.202 -0.831 -11.021 759 HA ALA 104 HA ALA 104 2.440 0.301 -8.650 760 HB1 ALA 104 1HB ALA 104 4.664 -0.545 -8.998 761 HB2 ALA 104 2HB ALA 104 4.741 1.116 -8.413 762 HB3 ALA 104 3HB ALA 104 5.023 0.768 -10.119 763 H THR 105 H THR 105 3.079 1.907 -11.698 764 HA THR 105 HA THR 105 2.994 4.570 -10.798 765 HB THR 105 HB THR 105 2.204 3.435 -13.488 766 HG1 THR 105 1HG THR 105 4.311 3.928 -14.055 767 HG21 THR 105 3HG2 THR 105 1.221 5.597 -13.264 768 HG22 THR 105 1HG2 THR 105 2.653 5.759 -14.282 769 HG23 THR 105 2HG2 THR 105 2.711 6.263 -12.591 770 H LYS 106 H LYS 106 0.472 2.426 -12.065 771 HA LYS 106 HA LYS 106 -1.647 4.256 -11.975 772 HB2 LYS 106 2HB LYS 106 -1.737 1.244 -11.670 773 HB3 LYS 106 1HB LYS 106 -3.110 2.277 -12.048 774 HG2 LYS 106 2HG LYS 106 -2.162 2.879 -14.160 775 HG3 LYS 106 1HG LYS 106 -0.657 2.045 -13.773 776 HD2 LYS 106 2HD LYS 106 -1.878 0.602 -15.212 777 HD3 LYS 106 1HD LYS 106 -2.019 -0.073 -13.589 778 HE2 LYS 106 2HE LYS 106 -4.172 -0.160 -14.651 779 HE3 LYS 106 1HE LYS 106 -4.219 1.047 -13.367 780 HZ1 LYS 106 3HZ LYS 106 -3.905 1.601 -16.269 781 HZ2 LYS 106 1HZ LYS 106 -3.903 2.771 -15.045 782 HZ3 LYS 106 2HZ LYS 106 -5.300 1.868 -15.349 783 H LEU 107 H LEU 107 -0.984 1.599 -9.648 784 HA LEU 107 HA LEU 107 -2.853 2.235 -7.745 785 HB2 LEU 107 2HB LEU 107 -0.702 0.502 -7.886 786 HB3 LEU 107 1HB LEU 107 -0.267 1.547 -6.551 787 HG LEU 107 HG LEU 107 -2.553 -0.376 -6.772 788 HD11 LEU 107 1HD1 LEU 107 -1.743 -0.853 -4.411 789 HD12 LEU 107 2HD1 LEU 107 -0.356 0.170 -4.796 790 HD13 LEU 107 3HD1 LEU 107 -0.660 -1.294 -5.730 791 HD21 LEU 107 3HD2 LEU 107 -3.658 1.665 -6.119 792 HD22 LEU 107 1HD2 LEU 107 -2.428 1.981 -4.894 793 HD23 LEU 107 2HD2 LEU 107 -3.520 0.607 -4.715 794 H SER 108 H SER 108 0.522 3.384 -7.810 795 HA SER 108 HA SER 108 0.338 5.153 -5.655 796 HB2 SER 108 2HB SER 108 2.108 5.310 -8.105 797 HB3 SER 108 1HB SER 108 2.349 6.232 -6.620 798 HG SER 108 HG SER 108 2.193 3.412 -6.611 799 H ARG 109 H ARG 109 -0.606 5.505 -8.998 800 HA ARG 109 HA ARG 109 -0.892 8.328 -8.967 801 HB2 ARG 109 2HB ARG 109 -0.642 6.951 -11.037 802 HB3 ARG 109 1HB ARG 109 -2.256 6.320 -10.768 803 HG2 ARG 109 2HG ARG 109 -1.795 9.265 -11.000 804 HG3 ARG 109 1HG ARG 109 -1.925 8.251 -12.438 805 HD2 ARG 109 2HD ARG 109 -4.107 7.407 -11.516 806 HD3 ARG 109 1HD ARG 109 -3.983 8.656 -10.272 807 HE ARG 109 HE ARG 109 -3.691 9.951 -12.694 808 HH11 ARG 109 1HH1 ARG 109 -6.130 8.025 -11.116 809 HH12 ARG 109 2HH1 ARG 109 -7.449 8.806 -11.920 810 HH21 ARG 109 1HH2 ARG 109 -5.421 10.985 -13.754 811 HH22 ARG 109 2HH2 ARG 109 -7.047 10.490 -13.417 812 H PHE 110 H PHE 110 -3.404 5.819 -9.209 813 HA PHE 110 HA PHE 110 -5.635 7.258 -8.681 814 HB2 PHE 110 2HB PHE 110 -4.882 4.471 -7.829 815 HB3 PHE 110 1HB PHE 110 -6.457 5.151 -7.418 816 HD1 PHE 110 1HD PHE 110 -4.315 3.943 -10.121 817 HD2 PHE 110 2HD PHE 110 -8.117 5.561 -9.117 818 HE1 PHE 110 1HE PHE 110 -5.167 3.298 -12.336 819 HE2 PHE 110 2HE PHE 110 -8.980 4.919 -11.330 820 HZ PHE 110 HZ PHE 110 -7.504 3.784 -12.941 821 H ILE 111 H ILE 111 -3.361 5.994 -6.270 822 HA ILE 111 HA ILE 111 -4.738 6.934 -3.996 823 HB ILE 111 HB ILE 111 -1.783 6.439 -4.407 824 HG12 ILE 111 2HG1 ILE 111 -3.809 4.773 -2.913 825 HG13 ILE 111 1HG1 ILE 111 -3.422 4.516 -4.607 826 HG21 ILE 111 1HG2 ILE 111 -1.605 6.433 -1.970 827 HG22 ILE 111 2HG2 ILE 111 -3.300 6.898 -1.843 828 HG23 ILE 111 3HG2 ILE 111 -2.133 8.004 -2.572 829 HD11 ILE 111 3HD1 ILE 111 -1.534 4.287 -2.283 830 HD12 ILE 111 1HD1 ILE 111 -1.074 4.125 -3.978 831 HD13 ILE 111 2HD1 ILE 111 -2.190 2.968 -3.252 832 H GLU 112 H GLU 112 -1.933 8.300 -5.712 833 HA GLU 112 HA GLU 112 -1.720 10.700 -4.362 834 HB2 GLU 112 2HB GLU 112 -0.140 9.820 -6.103 835 HB3 GLU 112 1HB GLU 112 -1.306 10.305 -7.331 836 HG2 GLU 112 2HG GLU 112 -1.085 12.633 -6.613 837 HG3 GLU 112 1HG GLU 112 0.103 12.142 -5.405 838 H ILE 113 H ILE 113 -4.164 9.603 -6.458 839 HA ILE 113 HA ILE 113 -5.130 12.237 -7.167 840 HB ILE 113 HB ILE 113 -5.612 9.486 -8.058 841 HG12 ILE 113 2HG1 ILE 113 -5.855 10.597 -10.222 842 HG13 ILE 113 1HG1 ILE 113 -5.882 12.167 -9.428 843 HG21 ILE 113 1HG2 ILE 113 -7.849 9.982 -8.989 844 HG22 ILE 113 2HG2 ILE 113 -7.908 11.426 -7.977 845 HG23 ILE 113 3HG2 ILE 113 -7.821 9.829 -7.232 846 HD11 ILE 113 3HD1 ILE 113 -3.567 10.248 -9.403 847 HD12 ILE 113 1HD1 ILE 113 -3.598 11.860 -8.691 848 HD13 ILE 113 2HD1 ILE 113 -3.714 11.667 -10.440 849 H ASN 114 H ASN 114 -6.085 9.549 -5.054 850 HA ASN 114 HA ASN 114 -8.150 11.324 -3.922 851 HB2 ASN 114 2HB ASN 114 -8.224 8.317 -4.205 852 HB3 ASN 114 1HB ASN 114 -9.406 9.266 -3.304 853 HD21 ASN 114 1HD2 ASN 114 -9.599 7.555 -5.741 854 HD22 ASN 114 2HD2 ASN 114 -10.365 8.556 -6.923 855 H SER 115 H SER 115 -5.323 10.988 -3.102 856 HA SER 115 HA SER 115 -5.436 9.581 -0.585 857 HB2 SER 115 2HB SER 115 -3.132 10.408 -0.276 858 HB3 SER 115 1HB SER 115 -3.337 9.662 -1.862 859 HG SER 115 HG SER 115 -2.213 11.685 -1.924 860 H LEU 116 H LEU 116 -7.453 11.401 -0.658 861 HA LEU 116 HA LEU 116 -6.591 13.736 0.862 862 HB2 LEU 116 2HB LEU 116 -9.341 13.045 -0.153 863 HB3 LEU 116 1HB LEU 116 -8.811 14.595 0.476 864 HG LEU 116 HG LEU 116 -7.859 13.309 -2.085 865 HD11 LEU 116 1HD1 LEU 116 -9.595 15.734 -1.651 866 HD12 LEU 116 2HD1 LEU 116 -10.169 14.151 -2.171 867 HD13 LEU 116 3HD1 LEU 116 -9.076 15.073 -3.201 868 HD21 LEU 116 3HD2 LEU 116 -6.710 15.437 -2.479 869 HD22 LEU 116 1HD2 LEU 116 -6.098 14.630 -1.034 870 HD23 LEU 116 2HD2 LEU 116 -7.202 15.997 -0.881 Start of MODEL 20 1 H GLU 1 H GLU 1 26.828 4.602 12.034 2 HA GLU 1 HA GLU 1 24.814 3.123 10.695 3 HB2 GLU 1 2HB GLU 1 26.777 4.435 8.803 4 HB3 GLU 1 1HB GLU 1 25.598 3.205 8.367 5 HG2 GLU 1 2HG GLU 1 23.792 4.750 9.028 6 HG3 GLU 1 1HG GLU 1 25.007 5.986 9.350 7 H VAL 2 H VAL 2 26.264 2.160 12.546 8 HA VAL 2 HA VAL 2 28.716 0.965 11.528 9 HB VAL 2 HB VAL 2 28.787 1.793 13.798 10 HG11 VAL 2 1HG1 VAL 2 27.412 0.764 15.576 11 HG12 VAL 2 2HG1 VAL 2 26.507 -0.105 14.336 12 HG13 VAL 2 3HG1 VAL 2 26.456 1.656 14.393 13 HG21 VAL 2 3HG2 VAL 2 29.586 -0.197 14.958 14 HG22 VAL 2 1HG2 VAL 2 30.114 -0.199 13.275 15 HG23 VAL 2 2HG2 VAL 2 28.770 -1.225 13.779 16 H GLU 3 H GLU 3 25.451 0.013 12.458 17 HA GLU 3 HA GLU 3 24.297 -1.942 12.264 18 HB2 GLU 3 2HB GLU 3 26.151 -2.287 9.899 19 HB3 GLU 3 1HB GLU 3 24.677 -3.206 10.173 20 HG2 GLU 3 2HG GLU 3 23.381 -1.123 10.045 21 HG3 GLU 3 1HG GLU 3 24.867 -0.238 9.710 22 H LYS 4 H LYS 4 25.137 -2.778 14.241 23 HA LYS 4 HA LYS 4 27.457 -4.483 14.216 24 HB2 LYS 4 2HB LYS 4 25.364 -3.970 16.334 25 HB3 LYS 4 1HB LYS 4 26.792 -4.966 16.575 26 HG2 LYS 4 2HG LYS 4 28.222 -3.039 16.157 27 HG3 LYS 4 1HG LYS 4 26.798 -2.034 15.887 28 HD2 LYS 4 2HD LYS 4 27.347 -3.515 18.455 29 HD3 LYS 4 1HD LYS 4 27.810 -1.837 18.172 30 HE2 LYS 4 2HE LYS 4 25.483 -1.230 17.826 31 HE3 LYS 4 1HE LYS 4 24.996 -2.913 18.024 32 HZ1 LYS 4 3HZ LYS 4 26.305 -1.256 20.114 33 HZ2 LYS 4 1HZ LYS 4 25.770 -2.850 20.297 34 HZ3 LYS 4 2HZ LYS 4 24.652 -1.608 20.043 35 H SER 5 H SER 5 24.109 -4.871 13.600 36 HA SER 5 HA SER 5 24.505 -7.730 13.231 37 HB2 SER 5 2HB SER 5 22.435 -8.296 14.474 38 HB3 SER 5 1HB SER 5 23.678 -7.610 15.521 39 HG SER 5 HG SER 5 21.592 -6.702 15.884 40 H SER 6 H SER 6 24.194 -7.571 11.056 41 HA SER 6 HA SER 6 22.043 -6.070 9.909 42 HB2 SER 6 2HB SER 6 23.865 -8.150 8.672 43 HB3 SER 6 1HB SER 6 22.772 -7.092 7.778 44 HG SER 6 HG SER 6 24.216 -5.546 9.344 45 H ASP 7 H ASP 7 19.997 -6.681 9.730 46 HA ASP 7 HA ASP 7 19.280 -9.450 10.281 47 HB2 ASP 7 2HB ASP 7 16.947 -8.562 10.341 48 HB3 ASP 7 1HB ASP 7 18.029 -7.780 11.491 49 H GLY 8 H GLY 8 19.952 -7.591 7.597 50 HA2 GLY 8 2HA GLY 8 19.957 -8.705 5.444 51 HA3 GLY 8 1HA GLY 8 18.433 -9.455 5.889 52 HA PRO 9 HA PRO 9 17.818 -4.763 4.522 53 HB2 PRO 9 2HB PRO 9 19.536 -4.929 2.123 54 HB3 PRO 9 1HB PRO 9 19.358 -3.615 3.290 55 HG2 PRO 9 2HG PRO 9 21.562 -5.128 3.233 56 HG3 PRO 9 1HG PRO 9 20.886 -4.537 4.763 57 HD2 PRO 9 2HD PRO 9 20.677 -7.255 3.520 58 HD3 PRO 9 1HD PRO 9 20.939 -6.811 5.220 59 H GLY 10 H GLY 10 16.096 -4.379 3.198 60 HA2 GLY 10 2HA GLY 10 15.133 -4.724 0.931 61 HA3 GLY 10 1HA GLY 10 15.543 -6.420 1.133 62 H ALA 11 H ALA 11 13.743 -3.876 2.876 63 HA ALA 11 HA ALA 11 11.319 -5.381 2.817 64 HB1 ALA 11 1HB ALA 11 12.744 -5.176 5.469 65 HB2 ALA 11 2HB ALA 11 12.461 -6.655 4.551 66 HB3 ALA 11 3HB ALA 11 11.098 -5.762 5.227 67 H ALA 12 H ALA 12 12.858 -3.122 5.101 68 HA ALA 12 HA ALA 12 12.332 -1.019 5.771 69 HB1 ALA 12 1HB ALA 12 10.802 -0.737 3.198 70 HB2 ALA 12 2HB ALA 12 12.559 -0.633 3.298 71 HB3 ALA 12 3HB ALA 12 11.555 0.535 4.161 72 H GLN 13 H GLN 13 9.353 -1.455 3.909 73 HA GLN 13 HA GLN 13 7.835 -1.979 6.330 74 HB2 GLN 13 2HB GLN 13 6.304 -0.091 5.962 75 HB3 GLN 13 1HB GLN 13 7.940 0.449 6.309 76 HG2 GLN 13 2HG GLN 13 8.312 0.850 3.926 77 HG3 GLN 13 1HG GLN 13 6.668 0.310 3.583 78 HE21 GLN 13 1HE2 GLN 13 7.486 2.178 6.409 79 HE22 GLN 13 2HE2 GLN 13 6.692 3.633 5.922 80 H GLU 14 H GLU 14 5.807 -2.873 5.965 81 HA GLU 14 HA GLU 14 5.064 -3.357 3.166 82 HB2 GLU 14 2HB GLU 14 4.634 -5.683 3.593 83 HB3 GLU 14 1HB GLU 14 6.277 -5.329 4.108 84 HG2 GLU 14 2HG GLU 14 5.471 -5.164 6.436 85 HG3 GLU 14 1HG GLU 14 3.864 -5.627 5.877 86 HA PRO 15 HA PRO 15 0.963 -2.293 4.339 87 HB2 PRO 15 2HB PRO 15 -0.557 -4.101 2.964 88 HB3 PRO 15 1HB PRO 15 0.221 -2.699 2.225 89 HG2 PRO 15 2HG PRO 15 1.087 -5.555 2.252 90 HG3 PRO 15 1HG PRO 15 1.172 -4.364 0.941 91 HD2 PRO 15 2HD PRO 15 3.316 -5.050 2.454 92 HD3 PRO 15 1HD PRO 15 3.114 -3.437 1.740 93 H THR 16 H THR 16 -0.440 -2.664 5.944 94 HA THR 16 HA THR 16 -0.004 -4.618 7.866 95 HB THR 16 HB THR 16 -2.637 -3.208 7.406 96 HG1 THR 16 1HG THR 16 -0.270 -2.322 8.731 97 HG21 THR 16 3HG2 THR 16 -1.317 -4.250 9.916 98 HG22 THR 16 1HG2 THR 16 -2.690 -4.987 9.091 99 HG23 THR 16 2HG2 THR 16 -2.859 -3.399 9.837 100 H TRP 17 H TRP 17 -1.290 -6.378 8.577 101 HA TRP 17 HA TRP 17 -2.474 -7.884 6.360 102 HB2 TRP 17 2HB TRP 17 -1.519 -8.798 9.082 103 HB3 TRP 17 1HB TRP 17 -2.160 -9.854 7.827 104 HD1 TRP 17 HD TRP 17 0.908 -7.675 8.617 105 HE1 TRP 17 1HE TRP 17 2.872 -8.480 7.163 106 HE3 TRP 17 3HE TRP 17 -1.573 -11.072 5.709 107 HZ2 TRP 17 2HZ TRP 17 3.314 -10.313 5.062 108 HZ3 TRP 17 3HZ TRP 17 -0.306 -12.309 4.002 109 HH2 TRP 17 HH TRP 17 2.087 -11.937 3.686 110 H LEU 18 H LEU 18 -4.541 -6.981 6.317 111 HA LEU 18 HA LEU 18 -6.167 -6.995 8.735 112 HB2 LEU 18 2HB LEU 18 -6.950 -6.247 5.918 113 HB3 LEU 18 1HB LEU 18 -7.836 -5.883 7.388 114 HG LEU 18 HG LEU 18 -5.110 -4.787 6.706 115 HD11 LEU 18 1HD1 LEU 18 -7.831 -3.514 6.549 116 HD12 LEU 18 2HD1 LEU 18 -6.754 -3.881 5.203 117 HD13 LEU 18 3HD1 LEU 18 -6.299 -2.656 6.386 118 HD21 LEU 18 3HD2 LEU 18 -7.006 -4.212 8.975 119 HD22 LEU 18 1HD2 LEU 18 -5.579 -3.248 8.592 120 HD23 LEU 18 2HD2 LEU 18 -5.401 -4.932 9.084 121 H THR 19 H THR 19 -5.953 -9.375 8.893 122 HA THR 19 HA THR 19 -7.178 -11.063 6.944 123 HB THR 19 HB THR 19 -6.857 -12.867 8.525 124 HG1 THR 19 1HG THR 19 -5.714 -11.373 10.524 125 HG21 THR 19 3HG2 THR 19 -4.877 -12.102 7.317 126 HG22 THR 19 1HG2 THR 19 -4.442 -12.653 8.936 127 HG23 THR 19 2HG2 THR 19 -4.542 -10.927 8.588 128 H ASP 20 H ASP 20 -8.602 -8.912 8.991 129 HA ASP 20 HA ASP 20 -11.110 -10.405 8.896 130 HB2 ASP 20 2HB ASP 20 -9.983 -9.198 11.430 131 HB3 ASP 20 1HB ASP 20 -11.633 -9.784 11.255 132 H VAL 21 H VAL 21 -12.972 -9.153 8.874 133 HA VAL 21 HA VAL 21 -12.833 -6.691 7.597 134 HB VAL 21 HB VAL 21 -15.152 -7.660 9.273 135 HG11 VAL 21 1HG1 VAL 21 -16.505 -6.347 7.697 136 HG12 VAL 21 2HG1 VAL 21 -15.028 -5.786 6.913 137 HG13 VAL 21 3HG1 VAL 21 -15.362 -5.341 8.587 138 HG21 VAL 21 3HG2 VAL 21 -15.987 -8.691 7.204 139 HG22 VAL 21 1HG2 VAL 21 -14.465 -9.407 7.733 140 HG23 VAL 21 2HG2 VAL 21 -14.482 -8.259 6.394 141 HA PRO 22 HA PRO 22 -13.860 -4.625 11.934 142 HB2 PRO 22 2HB PRO 22 -12.670 -5.982 14.026 143 HB3 PRO 22 1HB PRO 22 -14.386 -6.071 13.619 144 HG2 PRO 22 2HG PRO 22 -12.170 -7.950 12.912 145 HG3 PRO 22 1HG PRO 22 -13.828 -8.316 13.431 146 HD2 PRO 22 2HD PRO 22 -13.122 -8.486 10.864 147 HD3 PRO 22 1HD PRO 22 -14.716 -7.856 11.329 148 H ALA 23 H ALA 23 -10.890 -6.589 11.738 149 HA ALA 23 HA ALA 23 -9.188 -4.624 12.833 150 HB1 ALA 23 1HB ALA 23 -7.351 -5.969 11.977 151 HB2 ALA 23 2HB ALA 23 -8.466 -6.868 10.949 152 HB3 ALA 23 3HB ALA 23 -8.578 -7.006 12.704 153 H ALA 24 H ALA 24 -10.282 -5.329 9.606 154 HA ALA 24 HA ALA 24 -8.500 -3.657 8.192 155 HB1 ALA 24 1HB ALA 24 -11.280 -4.639 7.532 156 HB2 ALA 24 2HB ALA 24 -9.740 -5.288 6.964 157 HB3 ALA 24 3HB ALA 24 -10.288 -3.703 6.412 158 H MET 25 H MET 25 -11.902 -3.126 9.089 159 HA MET 25 HA MET 25 -12.028 -0.421 8.396 160 HB2 MET 25 2HB MET 25 -13.639 -1.825 10.530 161 HB3 MET 25 1HB MET 25 -14.084 -0.357 9.673 162 HG2 MET 25 2HG MET 25 -14.131 -1.652 7.567 163 HG3 MET 25 1HG MET 25 -13.814 -3.113 8.500 164 HE1 MET 25 3HE MET 25 -15.533 -2.544 11.151 165 HE2 MET 25 1HE MET 25 -15.475 -4.098 10.316 166 HE3 MET 25 2HE MET 25 -17.030 -3.372 10.722 167 H GLU 26 H GLU 26 -10.770 -2.002 11.237 168 HA GLU 26 HA GLU 26 -10.835 0.290 12.933 169 HB2 GLU 26 2HB GLU 26 -9.497 -2.381 13.047 170 HB3 GLU 26 1HB GLU 26 -8.951 -1.106 14.131 171 HG2 GLU 26 2HG GLU 26 -11.387 -0.852 14.802 172 HG3 GLU 26 1HG GLU 26 -11.654 -2.384 13.971 173 H PHE 27 H PHE 27 -8.246 -1.267 11.048 174 HA PHE 27 HA PHE 27 -6.262 0.606 11.671 175 HB2 PHE 27 2HB PHE 27 -6.627 -1.455 9.566 176 HB3 PHE 27 1HB PHE 27 -5.439 -0.194 9.243 177 HD1 PHE 27 1HD PHE 27 -6.337 -2.977 11.469 178 HD2 PHE 27 2HD PHE 27 -3.392 -0.076 10.463 179 HE1 PHE 27 1HE PHE 27 -4.703 -4.156 12.878 180 HE2 PHE 27 2HE PHE 27 -1.750 -1.252 11.870 181 HZ PHE 27 HZ PHE 27 -2.405 -3.293 13.080 182 H ILE 28 H ILE 28 -8.800 0.588 9.254 183 HA ILE 28 HA ILE 28 -7.870 2.906 7.859 184 HB ILE 28 HB ILE 28 -10.518 1.475 7.934 185 HG12 ILE 28 2HG1 ILE 28 -8.701 1.977 5.579 186 HG13 ILE 28 1HG1 ILE 28 -8.470 0.605 6.663 187 HG21 ILE 28 1HG2 ILE 28 -11.104 3.785 7.675 188 HG22 ILE 28 2HG2 ILE 28 -11.254 2.995 6.107 189 HG23 ILE 28 3HG2 ILE 28 -9.857 4.011 6.451 190 HD11 ILE 28 3HD1 ILE 28 -11.091 1.106 5.306 191 HD12 ILE 28 1HD1 ILE 28 -10.481 -0.388 6.018 192 HD13 ILE 28 2HD1 ILE 28 -9.785 0.224 4.516 193 H ALA 29 H ALA 29 -10.102 2.300 10.510 194 HA ALA 29 HA ALA 29 -11.042 4.991 10.694 195 HB1 ALA 29 1HB ALA 29 -11.184 2.720 12.681 196 HB2 ALA 29 2HB ALA 29 -12.413 3.159 11.491 197 HB3 ALA 29 3HB ALA 29 -12.043 4.256 12.820 198 H ALA 30 H ALA 30 -8.217 3.374 11.698 199 HA ALA 30 HA ALA 30 -7.646 5.324 13.807 200 HB1 ALA 30 1HB ALA 30 -6.083 2.893 12.950 201 HB2 ALA 30 2HB ALA 30 -7.226 2.962 14.291 202 HB3 ALA 30 3HB ALA 30 -5.741 3.910 14.348 203 H THR 31 H THR 31 -7.686 5.961 10.885 204 HA THR 31 HA THR 31 -5.364 7.597 10.833 205 HB THR 31 HB THR 31 -4.267 5.488 10.239 206 HG1 THR 31 1HG THR 31 -3.638 7.528 9.228 207 HG21 THR 31 3HG2 THR 31 -6.463 4.646 9.115 208 HG22 THR 31 1HG2 THR 31 -4.900 4.130 8.484 209 HG23 THR 31 2HG2 THR 31 -5.797 5.415 7.674 210 H GLU 32 H GLU 32 -5.331 9.061 9.066 211 HA GLU 32 HA GLU 32 -7.860 9.830 8.099 212 HB2 GLU 32 2HB GLU 32 -5.610 11.161 8.372 213 HB3 GLU 32 1HB GLU 32 -5.337 10.654 6.710 214 HG2 GLU 32 2HG GLU 32 -7.367 11.735 6.000 215 HG3 GLU 32 1HG GLU 32 -7.761 12.149 7.670 216 H VAL 33 H VAL 33 -5.171 9.175 5.882 217 HA VAL 33 HA VAL 33 -7.068 7.953 4.028 218 HB VAL 33 HB VAL 33 -4.175 8.640 3.518 219 HG11 VAL 33 1HG1 VAL 33 -4.900 8.658 1.154 220 HG12 VAL 33 2HG1 VAL 33 -6.495 8.095 1.667 221 HG13 VAL 33 3HG1 VAL 33 -5.073 7.075 1.915 222 HG21 VAL 33 3HG2 VAL 33 -6.659 10.292 3.099 223 HG22 VAL 33 1HG2 VAL 33 -5.075 10.680 2.423 224 HG23 VAL 33 2HG2 VAL 33 -5.305 10.656 4.171 225 H ALA 34 H ALA 34 -6.993 5.849 3.399 226 HA ALA 34 HA ALA 34 -4.779 4.180 4.338 227 HB1 ALA 34 1HB ALA 34 -7.690 3.679 4.922 228 HB2 ALA 34 2HB ALA 34 -6.384 3.925 6.084 229 HB3 ALA 34 3HB ALA 34 -6.428 2.458 5.101 230 H VAL 35 H VAL 35 -4.066 2.880 2.808 231 HA VAL 35 HA VAL 35 -5.892 2.177 0.608 232 HB VAL 35 HB VAL 35 -2.919 2.665 0.558 233 HG11 VAL 35 1HG1 VAL 35 -2.996 1.977 -1.818 234 HG12 VAL 35 2HG1 VAL 35 -4.651 1.415 -1.580 235 HG13 VAL 35 3HG1 VAL 35 -3.323 0.638 -0.717 236 HG21 VAL 35 3HG2 VAL 35 -3.593 4.254 -1.220 237 HG22 VAL 35 1HG2 VAL 35 -4.296 4.624 0.357 238 HG23 VAL 35 2HG2 VAL 35 -5.280 3.847 -0.886 239 H ILE 36 H ILE 36 -6.293 0.116 0.282 240 HA ILE 36 HA ILE 36 -4.543 -1.877 1.540 241 HB ILE 36 HB ILE 36 -7.549 -1.802 1.779 242 HG12 ILE 36 2HG1 ILE 36 -5.629 -1.761 4.074 243 HG13 ILE 36 1HG1 ILE 36 -5.933 -0.270 3.194 244 HG21 ILE 36 1HG2 ILE 36 -7.221 -3.758 3.275 245 HG22 ILE 36 2HG2 ILE 36 -5.529 -3.813 2.775 246 HG23 ILE 36 3HG2 ILE 36 -6.808 -4.085 1.591 247 HD11 ILE 36 3HD1 ILE 36 -7.342 -0.382 5.118 248 HD12 ILE 36 1HD1 ILE 36 -7.953 -1.962 4.628 249 HD13 ILE 36 2HD1 ILE 36 -8.331 -0.533 3.666 250 H GLY 37 H GLY 37 -4.232 -3.716 0.441 251 HA2 GLY 37 2HA GLY 37 -5.500 -3.907 -2.194 252 HA3 GLY 37 1HA GLY 37 -3.994 -4.671 -1.729 253 H PHE 38 H PHE 38 -7.422 -4.967 -1.873 254 HA PHE 38 HA PHE 38 -7.527 -7.381 -0.274 255 HB2 PHE 38 2HB PHE 38 -9.627 -6.065 -2.016 256 HB3 PHE 38 1HB PHE 38 -9.904 -7.439 -0.949 257 HD1 PHE 38 2HD PHE 38 -8.740 -6.885 1.513 258 HD2 PHE 38 1HD PHE 38 -10.531 -4.125 -1.179 259 HE1 PHE 38 2HE PHE 38 -9.205 -5.365 3.390 260 HE2 PHE 38 1HE PHE 38 -11.003 -2.602 0.693 261 HZ PHE 38 HZ PHE 38 -10.341 -3.220 2.980 262 H PHE 39 H PHE 39 -6.171 -8.817 -1.287 263 HA PHE 39 HA PHE 39 -6.823 -9.548 -4.059 264 HB2 PHE 39 2HB PHE 39 -4.309 -10.203 -2.527 265 HB3 PHE 39 1HB PHE 39 -4.585 -10.401 -4.256 266 HD1 PHE 39 2HD PHE 39 -5.779 -7.873 -5.035 267 HD2 PHE 39 1HD PHE 39 -2.622 -8.651 -2.294 268 HE1 PHE 39 2HE PHE 39 -4.881 -5.623 -5.440 269 HE2 PHE 39 1HE PHE 39 -1.717 -6.398 -2.691 270 HZ PHE 39 HZ PHE 39 -2.846 -4.881 -4.267 271 H GLN 40 H GLN 40 -7.295 -11.609 -4.627 272 HA GLN 40 HA GLN 40 -7.949 -13.460 -2.480 273 HB2 GLN 40 2HB GLN 40 -8.403 -13.590 -5.471 274 HB3 GLN 40 1HB GLN 40 -8.920 -14.832 -4.340 275 HG2 GLN 40 2HG GLN 40 -10.387 -13.247 -3.234 276 HG3 GLN 40 1HG GLN 40 -9.836 -11.966 -4.312 277 HE21 GLN 40 1HE2 GLN 40 -10.363 -15.241 -5.385 278 HE22 GLN 40 2HE2 GLN 40 -11.760 -14.912 -6.346 279 H ASP 41 H ASP 41 -5.367 -12.691 -4.372 280 HA ASP 41 HA ASP 41 -3.955 -15.136 -3.711 281 HB2 ASP 41 2HB ASP 41 -4.990 -15.448 -6.016 282 HB3 ASP 41 1HB ASP 41 -3.960 -14.128 -6.568 283 H LEU 42 H LEU 42 -2.049 -14.506 -2.865 284 HA LEU 42 HA LEU 42 -1.137 -11.795 -3.390 285 HB2 LEU 42 2HB LEU 42 -0.147 -13.851 -1.417 286 HB3 LEU 42 1HB LEU 42 0.467 -12.212 -1.553 287 HG LEU 42 HG LEU 42 -2.352 -12.972 -0.792 288 HD11 LEU 42 1HD1 LEU 42 -0.734 -13.493 0.957 289 HD12 LEU 42 2HD1 LEU 42 -1.745 -12.123 1.416 290 HD13 LEU 42 3HD1 LEU 42 -0.093 -11.852 0.862 291 HD21 LEU 42 3HD2 LEU 42 -2.331 -10.873 -1.989 292 HD22 LEU 42 1HD2 LEU 42 -1.002 -10.282 -0.992 293 HD23 LEU 42 2HD2 LEU 42 -2.586 -10.569 -0.271 294 H GLU 43 H GLU 43 -0.881 -13.307 -5.613 295 HA GLU 43 HA GLU 43 2.035 -13.446 -5.901 296 HB2 GLU 43 2HB GLU 43 0.091 -15.498 -6.974 297 HB3 GLU 43 1HB GLU 43 1.805 -15.438 -7.353 298 HG2 GLU 43 2HG GLU 43 2.366 -15.873 -5.056 299 HG3 GLU 43 1HG GLU 43 0.664 -15.822 -4.601 300 H ILE 44 H ILE 44 -0.498 -11.789 -6.660 301 HA ILE 44 HA ILE 44 -0.157 -11.654 -9.560 302 HB ILE 44 HB ILE 44 -2.007 -9.863 -9.282 303 HG12 ILE 44 2HG1 ILE 44 -2.717 -11.354 -6.808 304 HG13 ILE 44 1HG1 ILE 44 -1.531 -10.063 -6.682 305 HG21 ILE 44 1HG2 ILE 44 -3.698 -11.525 -9.488 306 HG22 ILE 44 2HG2 ILE 44 -2.732 -12.709 -8.606 307 HG23 ILE 44 3HG2 ILE 44 -2.232 -12.184 -10.218 308 HD11 ILE 44 3HD1 ILE 44 -3.240 -8.600 -7.845 309 HD12 ILE 44 1HD1 ILE 44 -3.577 -9.075 -6.181 310 HD13 ILE 44 2HD1 ILE 44 -4.394 -9.892 -7.514 311 HA PRO 45 HA PRO 45 2.433 -8.087 -9.839 312 HB2 PRO 45 2HB PRO 45 0.184 -6.829 -11.356 313 HB3 PRO 45 1HB PRO 45 1.894 -6.937 -11.777 314 HG2 PRO 45 2HG PRO 45 0.130 -8.535 -12.946 315 HG3 PRO 45 1HG PRO 45 1.719 -9.156 -12.460 316 HD2 PRO 45 2HD PRO 45 -0.950 -9.573 -11.192 317 HD3 PRO 45 1HD PRO 45 0.432 -10.679 -11.308 318 H ALA 46 H ALA 46 -0.920 -7.637 -8.916 319 HA ALA 46 HA ALA 46 -0.784 -4.967 -8.068 320 HB1 ALA 46 1HB ALA 46 -2.873 -5.333 -7.023 321 HB2 ALA 46 2HB ALA 46 -2.574 -7.066 -6.883 322 HB3 ALA 46 3HB ALA 46 -2.849 -6.346 -8.469 323 H VAL 47 H VAL 47 -0.044 -7.977 -6.357 324 HA VAL 47 HA VAL 47 0.073 -6.868 -3.779 325 HB VAL 47 HB VAL 47 1.832 -9.166 -4.563 326 HG11 VAL 47 1HG1 VAL 47 1.969 -8.361 -2.273 327 HG12 VAL 47 2HG1 VAL 47 1.232 -9.962 -2.324 328 HG13 VAL 47 3HG1 VAL 47 0.222 -8.534 -2.092 329 HG21 VAL 47 3HG2 VAL 47 -0.352 -9.505 -5.649 330 HG22 VAL 47 1HG2 VAL 47 -1.140 -9.319 -4.083 331 HG23 VAL 47 2HG2 VAL 47 -0.049 -10.675 -4.367 332 HA PRO 48 HA PRO 48 4.905 -6.408 -4.438 333 HB2 PRO 48 2HB PRO 48 4.997 -6.161 -7.394 334 HB3 PRO 48 1HB PRO 48 6.121 -6.976 -6.297 335 HG2 PRO 48 2HG PRO 48 4.462 -8.375 -7.843 336 HG3 PRO 48 1HG PRO 48 4.826 -8.895 -6.186 337 HD2 PRO 48 2HD PRO 48 2.398 -7.512 -7.250 338 HD3 PRO 48 1HD PRO 48 2.518 -8.810 -6.053 339 H ILE 49 H ILE 49 2.749 -5.049 -6.877 340 HA ILE 49 HA ILE 49 3.912 -2.501 -7.025 341 HB ILE 49 HB ILE 49 1.263 -3.630 -7.775 342 HG12 ILE 49 2HG1 ILE 49 3.062 -2.023 -9.527 343 HG13 ILE 49 1HG1 ILE 49 3.546 -3.654 -9.078 344 HG21 ILE 49 1HG2 ILE 49 0.392 -1.615 -7.126 345 HG22 ILE 49 2HG2 ILE 49 0.858 -1.265 -8.791 346 HG23 ILE 49 3HG2 ILE 49 1.888 -0.745 -7.456 347 HD11 ILE 49 3HD1 ILE 49 1.768 -4.623 -10.202 348 HD12 ILE 49 1HD1 ILE 49 2.268 -3.310 -11.268 349 HD13 ILE 49 2HD1 ILE 49 0.844 -3.119 -10.240 350 H LEU 50 H LEU 50 1.457 -3.846 -4.877 351 HA LEU 50 HA LEU 50 0.788 -1.332 -3.693 352 HB2 LEU 50 2HB LEU 50 -0.809 -3.127 -3.572 353 HB3 LEU 50 1HB LEU 50 0.347 -4.165 -2.771 354 HG LEU 50 HG LEU 50 0.322 -2.585 -0.830 355 HD11 LEU 50 1HD1 LEU 50 -1.443 -0.960 -0.638 356 HD12 LEU 50 2HD1 LEU 50 -2.063 -1.393 -2.232 357 HD13 LEU 50 3HD1 LEU 50 -0.487 -0.618 -2.079 358 HD21 LEU 50 3HD2 LEU 50 -1.102 -4.699 -1.094 359 HD22 LEU 50 1HD2 LEU 50 -2.448 -3.596 -1.403 360 HD23 LEU 50 2HD2 LEU 50 -1.584 -3.528 0.136 361 H HIS 51 H HIS 51 2.776 -4.095 -2.640 362 HA HIS 51 HA HIS 51 3.749 -3.007 -0.275 363 HB2 HIS 51 2HB HIS 51 5.009 -4.907 -2.252 364 HB3 HIS 51 1HB HIS 51 5.813 -4.444 -0.755 365 HD1 HIS 51 1HD HIS 51 2.282 -5.669 -1.544 366 HD2 HIS 51 2HD HIS 51 5.448 -6.401 1.045 367 HE1 HIS 51 1HE HIS 51 1.506 -7.529 -0.039 368 HE2 HIS 51 2HE HIS 51 3.410 -7.903 1.566 369 H SER 52 H SER 52 4.473 -2.276 -3.573 370 HA SER 52 HA SER 52 6.929 -0.869 -3.011 371 HB2 SER 52 2HB SER 52 7.148 -0.611 -5.302 372 HB3 SER 52 1HB SER 52 6.133 -2.051 -5.239 373 HG SER 52 HG SER 52 5.547 0.484 -6.131 374 H MET 53 H MET 53 3.584 0.003 -3.840 375 HA MET 53 HA MET 53 3.965 2.786 -3.866 376 HB2 MET 53 2HB MET 53 1.672 2.976 -4.042 377 HB3 MET 53 1HB MET 53 1.919 1.335 -4.614 378 HG2 MET 53 2HG MET 53 0.111 1.131 -3.201 379 HG3 MET 53 1HG MET 53 1.460 0.646 -2.182 380 HE1 MET 53 3HE MET 53 0.351 1.038 0.163 381 HE2 MET 53 1HE MET 53 -1.134 1.213 -0.772 382 HE3 MET 53 2HE MET 53 -0.736 2.391 0.480 383 H VAL 54 H VAL 54 3.660 0.483 -1.326 384 HA VAL 54 HA VAL 54 2.803 1.996 0.819 385 HB VAL 54 HB VAL 54 4.835 -0.224 0.725 386 HG11 VAL 54 1HG1 VAL 54 4.489 -0.451 3.149 387 HG12 VAL 54 2HG1 VAL 54 3.544 1.037 3.132 388 HG13 VAL 54 3HG1 VAL 54 5.256 1.077 2.716 389 HG21 VAL 54 3HG2 VAL 54 2.809 -1.158 0.133 390 HG22 VAL 54 1HG2 VAL 54 1.886 -0.076 1.174 391 HG23 VAL 54 2HG2 VAL 54 2.827 -1.387 1.880 392 H GLN 55 H GLN 55 6.130 1.559 -0.352 393 HA GLN 55 HA GLN 55 7.216 3.399 1.546 394 HB2 GLN 55 2HB GLN 55 8.567 2.500 -0.978 395 HB3 GLN 55 1HB GLN 55 9.292 2.970 0.553 396 HG2 GLN 55 2HG GLN 55 8.309 0.946 1.586 397 HG3 GLN 55 1HG GLN 55 7.733 0.462 -0.009 398 HE21 GLN 55 1HE2 GLN 55 10.118 1.514 -1.343 399 HE22 GLN 55 2HE2 GLN 55 11.380 0.382 -1.016 400 H LYS 56 H LYS 56 5.478 3.775 -1.274 401 HA LYS 56 HA LYS 56 6.761 6.286 -2.047 402 HB2 LYS 56 2HB LYS 56 4.448 4.796 -3.301 403 HB3 LYS 56 1HB LYS 56 5.211 6.236 -3.954 404 HG2 LYS 56 2HG LYS 56 7.293 5.027 -4.252 405 HG3 LYS 56 1HG LYS 56 6.570 3.581 -3.545 406 HD2 LYS 56 2HD LYS 56 6.468 3.274 -5.884 407 HD3 LYS 56 1HD LYS 56 4.834 3.728 -5.391 408 HE2 LYS 56 2HE LYS 56 5.330 4.980 -7.343 409 HE3 LYS 56 1HE LYS 56 5.429 6.094 -5.981 410 HZ1 LYS 56 3HZ LYS 56 7.268 6.396 -7.520 411 HZ2 LYS 56 1HZ LYS 56 7.746 4.787 -7.299 412 HZ3 LYS 56 2HZ LYS 56 7.826 5.880 -6.009 413 H PHE 57 H PHE 57 4.149 5.070 -0.225 414 HA PHE 57 HA PHE 57 3.145 7.797 0.178 415 HB2 PHE 57 2HB PHE 57 1.546 5.354 -0.515 416 HB3 PHE 57 1HB PHE 57 0.820 6.705 0.353 417 HD1 PHE 57 2HD PHE 57 2.250 5.586 -2.822 418 HD2 PHE 57 1HD PHE 57 0.434 8.819 -0.734 419 HE1 PHE 57 2HE PHE 57 1.872 6.750 -4.957 420 HE2 PHE 57 1HE PHE 57 0.054 9.989 -2.865 421 HZ PHE 57 HZ PHE 57 0.773 8.954 -4.982 422 HA PRO 58 HA PRO 58 4.255 5.418 4.152 423 HB2 PRO 58 2HB PRO 58 5.278 7.783 5.236 424 HB3 PRO 58 1HB PRO 58 6.232 6.476 4.533 425 HG2 PRO 58 2HG PRO 58 5.310 9.032 3.288 426 HG3 PRO 58 1HG PRO 58 6.866 8.195 3.111 427 HD2 PRO 58 2HD PRO 58 5.043 8.052 1.184 428 HD3 PRO 58 1HD PRO 58 5.975 6.609 1.638 429 H GLY 59 H GLY 59 3.110 8.767 3.696 430 HA2 GLY 59 2HA GLY 59 1.714 9.068 6.079 431 HA3 GLY 59 1HA GLY 59 1.293 9.868 4.570 432 H VAL 60 H VAL 60 0.687 7.619 3.036 433 HA VAL 60 HA VAL 60 -2.001 7.129 3.780 434 HB VAL 60 HB VAL 60 -0.183 6.028 1.651 435 HG11 VAL 60 1HG1 VAL 60 -2.056 4.732 0.743 436 HG12 VAL 60 2HG1 VAL 60 -3.027 5.143 2.158 437 HG13 VAL 60 3HG1 VAL 60 -1.585 4.146 2.338 438 HG21 VAL 60 3HG2 VAL 60 -2.699 7.691 1.635 439 HG22 VAL 60 1HG2 VAL 60 -1.887 7.095 0.186 440 HG23 VAL 60 2HG2 VAL 60 -1.059 8.224 1.259 441 H SER 61 H SER 61 -2.971 5.275 4.629 442 HA SER 61 HA SER 61 -1.233 3.654 6.269 443 HB2 SER 61 2HB SER 61 -3.362 4.461 7.181 444 HB3 SER 61 1HB SER 61 -4.237 3.565 5.942 445 HG SER 61 HG SER 61 -2.550 2.441 7.929 446 H PHE 62 H PHE 62 -0.085 2.284 5.024 447 HA PHE 62 HA PHE 62 -1.072 0.839 2.822 448 HB2 PHE 62 2HB PHE 62 0.977 -0.668 3.369 449 HB3 PHE 62 1HB PHE 62 1.247 1.003 2.876 450 HD1 PHE 62 2HD PHE 62 1.218 -1.302 5.752 451 HD2 PHE 62 1HD PHE 62 2.213 2.591 4.354 452 HE1 PHE 62 2HE PHE 62 2.498 -0.895 7.811 453 HE2 PHE 62 1HE PHE 62 3.493 3.008 6.412 454 HZ PHE 62 HZ PHE 62 3.638 1.263 8.145 455 H GLY 63 H GLY 63 -2.222 -0.971 2.673 456 HA2 GLY 63 2HA GLY 63 -2.272 -2.852 4.903 457 HA3 GLY 63 1HA GLY 63 -3.802 -2.112 4.457 458 H ILE 64 H ILE 64 -3.400 -4.858 4.377 459 HA ILE 64 HA ILE 64 -4.104 -5.382 1.645 460 HB ILE 64 HB ILE 64 -1.480 -5.477 1.928 461 HG12 ILE 64 2HG1 ILE 64 -3.037 -7.613 0.468 462 HG13 ILE 64 1HG1 ILE 64 -2.738 -5.985 -0.122 463 HG21 ILE 64 1HG2 ILE 64 -2.283 -8.245 2.801 464 HG22 ILE 64 2HG2 ILE 64 -1.503 -7.032 3.814 465 HG23 ILE 64 3HG2 ILE 64 -0.648 -7.705 2.425 466 HD11 ILE 64 3HD1 ILE 64 -0.328 -6.455 -0.119 467 HD12 ILE 64 1HD1 ILE 64 -1.231 -7.542 -1.173 468 HD13 ILE 64 2HD1 ILE 64 -0.668 -8.108 0.399 469 H SER 65 H SER 65 -5.236 -7.324 1.416 470 HA SER 65 HA SER 65 -5.394 -9.118 3.693 471 HB2 SER 65 2HB SER 65 -7.027 -7.469 4.359 472 HB3 SER 65 1HB SER 65 -7.777 -7.509 2.765 473 HG SER 65 HG SER 65 -7.641 -9.703 4.559 474 H THR 66 H THR 66 -6.529 -11.059 3.283 475 HA THR 66 HA THR 66 -7.184 -11.601 0.476 476 HB THR 66 HB THR 66 -6.025 -13.773 0.594 477 HG1 THR 66 1HG THR 66 -6.064 -13.744 3.013 478 HG21 THR 66 3HG2 THR 66 -4.912 -11.720 -0.306 479 HG22 THR 66 1HG2 THR 66 -3.802 -12.954 0.292 480 HG23 THR 66 2HG2 THR 66 -4.139 -11.524 1.267 481 H ASP 67 H ASP 67 -8.080 -11.631 3.630 482 HA ASP 67 HA ASP 67 -9.406 -14.086 3.960 483 HB2 ASP 67 2HB ASP 67 -8.919 -12.514 5.808 484 HB3 ASP 67 1HB ASP 67 -10.111 -11.394 5.153 485 H SER 68 H SER 68 -11.441 -14.768 3.467 486 HA SER 68 HA SER 68 -12.711 -13.654 1.213 487 HB2 SER 68 2HB SER 68 -13.761 -15.673 3.211 488 HB3 SER 68 1HB SER 68 -14.481 -15.330 1.639 489 HG SER 68 HG SER 68 -11.921 -15.818 1.230 490 H GLU 69 H GLU 69 -13.726 -13.746 4.632 491 HA GLU 69 HA GLU 69 -16.123 -12.416 4.443 492 HB2 GLU 69 2HB GLU 69 -14.112 -12.057 6.662 493 HB3 GLU 69 1HB GLU 69 -15.842 -11.763 6.757 494 HG2 GLU 69 2HG GLU 69 -16.261 -14.145 6.366 495 HG3 GLU 69 1HG GLU 69 -14.522 -14.430 6.308 496 H VAL 70 H VAL 70 -12.886 -10.992 4.611 497 HA VAL 70 HA VAL 70 -13.848 -8.317 4.706 498 HB VAL 70 HB VAL 70 -11.129 -9.422 4.000 499 HG11 VAL 70 1HG1 VAL 70 -11.967 -6.547 4.342 500 HG12 VAL 70 2HG1 VAL 70 -11.386 -7.307 2.859 501 HG13 VAL 70 3HG1 VAL 70 -10.300 -7.111 4.235 502 HG21 VAL 70 3HG2 VAL 70 -12.111 -7.980 6.456 503 HG22 VAL 70 1HG2 VAL 70 -10.475 -8.576 6.187 504 HG23 VAL 70 2HG2 VAL 70 -11.815 -9.715 6.336 505 H LEU 71 H LEU 71 -12.297 -10.200 2.111 506 HA LEU 71 HA LEU 71 -12.622 -8.320 0.076 507 HB2 LEU 71 2HB LEU 71 -12.244 -11.279 0.143 508 HB3 LEU 71 1HB LEU 71 -12.655 -10.513 -1.379 509 HG LEU 71 HG LEU 71 -10.659 -9.244 -1.405 510 HD11 LEU 71 1HD1 LEU 71 -10.572 -8.502 0.873 511 HD12 LEU 71 2HD1 LEU 71 -9.043 -9.282 0.467 512 HD13 LEU 71 3HD1 LEU 71 -10.238 -10.140 1.437 513 HD21 LEU 71 3HD2 LEU 71 -10.076 -12.026 -0.406 514 HD22 LEU 71 1HD2 LEU 71 -8.905 -10.975 -1.202 515 HD23 LEU 71 2HD2 LEU 71 -10.329 -11.532 -2.081 516 H THR 72 H THR 72 -14.926 -10.173 1.715 517 HA THR 72 HA THR 72 -16.894 -10.078 -0.432 518 HB THR 72 HB THR 72 -17.095 -11.133 2.399 519 HG1 THR 72 1HG THR 72 -17.122 -13.164 1.266 520 HG21 THR 72 3HG2 THR 72 -19.286 -10.475 1.787 521 HG22 THR 72 1HG2 THR 72 -19.210 -12.208 1.468 522 HG23 THR 72 2HG2 THR 72 -19.085 -11.057 0.135 523 H HIS 73 H HIS 73 -16.272 -8.690 2.751 524 HA HIS 73 HA HIS 73 -18.644 -7.217 3.013 525 HB2 HIS 73 2HB HIS 73 -17.071 -7.639 4.873 526 HB3 HIS 73 1HB HIS 73 -15.898 -6.571 4.114 527 HD1 HIS 73 1HD HIS 73 -18.899 -6.581 6.262 528 HD2 HIS 73 2HD HIS 73 -16.618 -3.799 4.181 529 HE1 HIS 73 1HE HIS 73 -19.574 -4.337 7.178 530 HE2 HIS 73 2HE HIS 73 -18.212 -2.665 5.872 531 H TYR 74 H TYR 74 -15.587 -6.515 1.422 532 HA TYR 74 HA TYR 74 -16.521 -3.852 0.668 533 HB2 TYR 74 2HB TYR 74 -13.873 -5.256 0.323 534 HB3 TYR 74 1HB TYR 74 -14.217 -3.675 -0.370 535 HD1 TYR 74 2HD TYR 74 -14.480 -1.717 1.076 536 HD2 TYR 74 1HD TYR 74 -13.527 -5.535 2.695 537 HE1 TYR 74 2HE TYR 74 -13.827 -0.650 3.191 538 HE2 TYR 74 1HE TYR 74 -12.873 -4.478 4.816 539 HH TYR 74 HH TYR 74 -12.127 -2.296 5.634 540 H ASN 75 H ASN 75 -17.342 -6.675 -0.388 541 HA ASN 75 HA ASN 75 -18.107 -7.556 -2.336 542 HB2 ASN 75 2HB ASN 75 -18.015 -4.649 -3.149 543 HB3 ASN 75 1HB ASN 75 -18.794 -5.918 -4.091 544 HD21 ASN 75 1HD2 ASN 75 -19.907 -3.525 -2.830 545 HD22 ASN 75 2HD2 ASN 75 -21.153 -4.083 -1.772 546 H ILE 76 H ILE 76 -15.151 -7.135 -1.919 547 HA ILE 76 HA ILE 76 -13.870 -6.564 -4.346 548 HB ILE 76 HB ILE 76 -12.927 -8.507 -2.234 549 HG12 ILE 76 2HG1 ILE 76 -13.518 -6.390 -1.203 550 HG13 ILE 76 1HG1 ILE 76 -11.772 -6.564 -1.243 551 HG21 ILE 76 1HG2 ILE 76 -11.505 -6.985 -4.399 552 HG22 ILE 76 2HG2 ILE 76 -11.574 -8.729 -4.157 553 HG23 ILE 76 3HG2 ILE 76 -10.670 -7.717 -3.031 554 HD11 ILE 76 3HD1 ILE 76 -13.373 -4.937 -3.202 555 HD12 ILE 76 1HD1 ILE 76 -11.616 -5.033 -3.090 556 HD13 ILE 76 2HD1 ILE 76 -12.543 -4.291 -1.788 557 H THR 77 H THR 77 -13.878 -7.604 -6.220 558 HA THR 77 HA THR 77 -14.091 -10.522 -6.263 559 HB THR 77 HB THR 77 -15.716 -10.392 -8.165 560 HG1 THR 77 1HG THR 77 -16.494 -8.497 -8.783 561 HG21 THR 77 3HG2 THR 77 -16.625 -9.290 -5.506 562 HG22 THR 77 1HG2 THR 77 -16.506 -10.991 -5.960 563 HG23 THR 77 2HG2 THR 77 -17.693 -9.950 -6.746 564 H GLY 78 H GLY 78 -11.723 -9.560 -6.652 565 HA2 GLY 78 2HA GLY 78 -10.701 -10.430 -8.956 566 HA3 GLY 78 1HA GLY 78 -11.289 -8.847 -9.442 567 H ASN 79 H ASN 79 -9.751 -9.880 -6.410 568 HA ASN 79 HA ASN 79 -7.964 -9.043 -5.272 569 HB2 ASN 79 2HB ASN 79 -6.853 -8.786 -8.070 570 HB3 ASN 79 1HB ASN 79 -5.906 -8.798 -6.587 571 HD21 ASN 79 1HD2 ASN 79 -5.555 -10.714 -5.523 572 HD22 ASN 79 2HD2 ASN 79 -5.929 -12.253 -6.212 573 H THR 80 H THR 80 -9.943 -7.200 -5.652 574 HA THR 80 HA THR 80 -9.106 -4.752 -6.804 575 HB THR 80 HB THR 80 -11.220 -5.322 -4.716 576 HG1 THR 80 1HG THR 80 -12.374 -5.955 -6.360 577 HG21 THR 80 3HG2 THR 80 -12.216 -3.185 -5.367 578 HG22 THR 80 1HG2 THR 80 -10.854 -2.872 -6.441 579 HG23 THR 80 2HG2 THR 80 -10.600 -2.955 -4.700 580 H ILE 81 H ILE 81 -8.490 -2.821 -5.819 581 HA ILE 81 HA ILE 81 -7.320 -3.029 -3.117 582 HB ILE 81 HB ILE 81 -6.395 -1.382 -5.479 583 HG12 ILE 81 2HG1 ILE 81 -5.037 -3.582 -3.911 584 HG13 ILE 81 1HG1 ILE 81 -5.703 -3.741 -5.532 585 HG21 ILE 81 1HG2 ILE 81 -6.236 -0.078 -3.421 586 HG22 ILE 81 2HG2 ILE 81 -4.639 -0.516 -4.024 587 HG23 ILE 81 3HG2 ILE 81 -5.334 -1.386 -2.657 588 HD11 ILE 81 3HD1 ILE 81 -3.363 -2.059 -4.683 589 HD12 ILE 81 1HD1 ILE 81 -4.082 -2.025 -6.295 590 HD13 ILE 81 2HD1 ILE 81 -3.337 -3.507 -5.690 591 H CYS 82 H CYS 82 -8.460 -1.857 -1.675 592 HA CYS 82 HA CYS 82 -10.059 0.367 -2.715 593 HB2 CYS 82 2HB CYS 82 -10.354 -1.237 -0.186 594 HB3 CYS 82 1HB CYS 82 -11.360 0.144 -0.605 595 HG CYS 82 HG CYS 82 -12.812 -2.202 -1.067 596 H LEU 83 H LEU 83 -9.795 2.388 -2.118 597 HA LEU 83 HA LEU 83 -7.811 2.992 -0.033 598 HB2 LEU 83 2HB LEU 83 -7.002 3.975 -1.963 599 HB3 LEU 83 1HB LEU 83 -8.599 4.336 -2.580 600 HG LEU 83 HG LEU 83 -8.828 6.219 -1.098 601 HD11 LEU 83 1HD1 LEU 83 -7.524 5.114 0.791 602 HD12 LEU 83 2HD1 LEU 83 -7.322 6.852 0.572 603 HD13 LEU 83 3HD1 LEU 83 -6.077 5.738 -0.003 604 HD21 LEU 83 3HD2 LEU 83 -6.838 7.582 -1.830 605 HD22 LEU 83 1HD2 LEU 83 -7.736 6.775 -3.117 606 HD23 LEU 83 2HD2 LEU 83 -6.203 6.105 -2.556 607 H PHE 84 H PHE 84 -8.964 3.225 1.830 608 HA PHE 84 HA PHE 84 -11.450 4.759 1.759 609 HB2 PHE 84 2HB PHE 84 -11.037 2.476 3.016 610 HB3 PHE 84 1HB PHE 84 -10.390 3.532 4.268 611 HD1 PHE 84 2HD PHE 84 -11.929 5.517 4.979 612 HD2 PHE 84 1HD PHE 84 -13.291 2.021 2.971 613 HE1 PHE 84 2HE PHE 84 -14.212 5.944 5.791 614 HE2 PHE 84 1HE PHE 84 -15.577 2.444 3.777 615 HZ PHE 84 HZ PHE 84 -16.039 4.408 5.190 616 H ARG 85 H ARG 85 -11.464 6.838 2.252 617 HA ARG 85 HA ARG 85 -9.185 7.956 3.750 618 HB2 ARG 85 2HB ARG 85 -11.041 9.831 2.440 619 HB3 ARG 85 1HB ARG 85 -9.284 9.800 2.450 620 HG2 ARG 85 2HG ARG 85 -9.280 8.073 0.739 621 HG3 ARG 85 1HG ARG 85 -11.050 8.069 0.736 622 HD2 ARG 85 2HD ARG 85 -9.196 10.277 -0.131 623 HD3 ARG 85 1HD ARG 85 -10.366 9.392 -1.113 624 HE ARG 85 HE ARG 85 -11.654 10.750 1.018 625 HH11 ARG 85 1HH1 ARG 85 -10.170 11.263 -2.092 626 HH12 ARG 85 2HH1 ARG 85 -11.090 12.689 -2.440 627 HH21 ARG 85 1HH2 ARG 85 -12.870 12.627 0.567 628 HH22 ARG 85 2HH2 ARG 85 -12.625 13.463 -0.931 629 H LEU 86 H LEU 86 -9.882 7.548 5.803 630 HA LEU 86 HA LEU 86 -12.249 7.654 7.046 631 HB2 LEU 86 2HB LEU 86 -10.553 7.121 8.471 632 HB3 LEU 86 1HB LEU 86 -9.503 8.389 7.874 633 HG LEU 86 HG LEU 86 -10.952 10.041 9.116 634 HD11 LEU 86 1HD1 LEU 86 -12.033 7.528 10.386 635 HD12 LEU 86 2HD1 LEU 86 -12.935 8.634 9.349 636 HD13 LEU 86 3HD1 LEU 86 -12.347 9.179 10.920 637 HD21 LEU 86 3HD2 LEU 86 -8.806 9.410 9.982 638 HD22 LEU 86 1HD2 LEU 86 -9.470 7.921 10.659 639 HD23 LEU 86 2HD2 LEU 86 -9.960 9.482 11.316 640 H VAL 87 H VAL 87 -10.255 10.562 6.519 641 HA VAL 87 HA VAL 87 -11.673 12.497 7.754 642 HB VAL 87 HB VAL 87 -11.195 13.791 5.404 643 HG11 VAL 87 1HG1 VAL 87 -9.295 13.147 7.651 644 HG12 VAL 87 2HG1 VAL 87 -10.377 14.535 7.523 645 HG13 VAL 87 3HG1 VAL 87 -9.002 14.385 6.429 646 HG21 VAL 87 3HG2 VAL 87 -9.058 12.895 4.550 647 HG22 VAL 87 1HG2 VAL 87 -10.419 11.804 4.283 648 HG23 VAL 87 2HG2 VAL 87 -9.268 11.480 5.585 649 H ASP 88 H ASP 88 -12.285 11.704 4.335 650 HA ASP 88 HA ASP 88 -14.951 12.849 4.607 651 HB2 ASP 88 2HB ASP 88 -13.238 12.142 2.238 652 HB3 ASP 88 1HB ASP 88 -14.949 12.536 2.061 653 H ASN 89 H ASN 89 -13.746 10.013 5.285 654 HA ASN 89 HA ASN 89 -14.449 7.852 5.331 655 HB2 ASN 89 2HB ASN 89 -17.169 9.118 4.980 656 HB3 ASN 89 1HB ASN 89 -16.838 7.517 5.634 657 HD21 ASN 89 1HD2 ASN 89 -15.967 7.321 7.692 658 HD22 ASN 89 2HD2 ASN 89 -15.975 8.627 8.822 659 H GLU 90 H GLU 90 -13.728 8.901 2.713 660 HA GLU 90 HA GLU 90 -15.590 7.805 0.813 661 HB2 GLU 90 2HB GLU 90 -12.734 8.702 0.412 662 HB3 GLU 90 1HB GLU 90 -13.896 8.361 -0.862 663 HG2 GLU 90 2HG GLU 90 -14.146 10.531 1.198 664 HG3 GLU 90 1HG GLU 90 -13.622 10.750 -0.470 665 H GLN 91 H GLN 91 -14.978 6.124 -0.741 666 HA GLN 91 HA GLN 91 -12.955 4.235 0.155 667 HB2 GLN 91 2HB GLN 91 -15.005 3.574 1.357 668 HB3 GLN 91 1HB GLN 91 -15.851 3.429 -0.178 669 HG2 GLN 91 2HG GLN 91 -13.354 1.873 0.149 670 HG3 GLN 91 1HG GLN 91 -14.763 1.351 1.067 671 HE21 GLN 91 1HE2 GLN 91 -16.648 2.268 -0.948 672 HE22 GLN 91 2HE2 GLN 91 -16.553 1.137 -2.251 673 H LEU 92 H LEU 92 -11.851 4.634 -1.738 674 HA LEU 92 HA LEU 92 -13.117 4.390 -4.308 675 HB2 LEU 92 2HB LEU 92 -10.187 4.512 -3.573 676 HB3 LEU 92 1HB LEU 92 -10.823 4.609 -5.201 677 HG LEU 92 HG LEU 92 -10.260 6.815 -4.554 678 HD11 LEU 92 1HD1 LEU 92 -12.334 6.725 -5.761 679 HD12 LEU 92 2HD1 LEU 92 -12.430 7.986 -4.531 680 HD13 LEU 92 3HD1 LEU 92 -13.232 6.438 -4.271 681 HD21 LEU 92 3HD2 LEU 92 -11.983 6.607 -2.105 682 HD22 LEU 92 1HD2 LEU 92 -10.836 7.874 -2.536 683 HD23 LEU 92 2HD2 LEU 92 -10.253 6.271 -2.086 684 H ASN 93 H ASN 93 -12.896 2.660 -5.772 685 HA ASN 93 HA ASN 93 -11.747 0.213 -4.600 686 HB2 ASN 93 2HB ASN 93 -13.599 -0.947 -6.035 687 HB3 ASN 93 1HB ASN 93 -14.001 -0.280 -4.458 688 HD21 ASN 93 1HD2 ASN 93 -15.222 1.605 -4.336 689 HD22 ASN 93 2HD2 ASN 93 -16.129 2.199 -5.681 690 H LEU 94 H LEU 94 -9.884 0.099 -5.708 691 HA LEU 94 HA LEU 94 -9.808 0.367 -8.595 692 HB2 LEU 94 2HB LEU 94 -7.972 1.047 -6.880 693 HB3 LEU 94 1HB LEU 94 -7.580 -0.660 -6.843 694 HG LEU 94 HG LEU 94 -7.682 0.632 -9.509 695 HD11 LEU 94 1HD1 LEU 94 -5.451 1.078 -7.526 696 HD12 LEU 94 2HD1 LEU 94 -6.511 2.315 -8.204 697 HD13 LEU 94 3HD1 LEU 94 -5.379 1.454 -9.247 698 HD21 LEU 94 3HD2 LEU 94 -5.780 -1.321 -8.223 699 HD22 LEU 94 1HD2 LEU 94 -5.866 -0.901 -9.933 700 HD23 LEU 94 2HD2 LEU 94 -7.200 -1.763 -9.170 701 H GLU 95 H GLU 95 -11.341 -1.330 -8.992 702 HA GLU 95 HA GLU 95 -10.803 -4.015 -8.131 703 HB2 GLU 95 2HB GLU 95 -12.817 -3.079 -10.165 704 HB3 GLU 95 1HB GLU 95 -12.813 -4.609 -9.298 705 HG2 GLU 95 2HG GLU 95 -13.291 -3.534 -7.237 706 HG3 GLU 95 1HG GLU 95 -13.051 -1.938 -7.945 707 H ASP 96 H ASP 96 -11.575 -5.520 -10.274 708 HA ASP 96 HA ASP 96 -9.202 -6.168 -11.509 709 HB2 ASP 96 2HB ASP 96 -11.177 -7.640 -11.381 710 HB3 ASP 96 1HB ASP 96 -11.976 -6.654 -12.601 711 H GLU 97 H GLU 97 -11.669 -3.901 -12.606 712 HA GLU 97 HA GLU 97 -10.827 -3.555 -15.243 713 HB2 GLU 97 2HB GLU 97 -12.012 -1.527 -13.334 714 HB3 GLU 97 1HB GLU 97 -11.857 -1.290 -15.070 715 HG2 GLU 97 2HG GLU 97 -13.329 -3.191 -15.469 716 HG3 GLU 97 1HG GLU 97 -13.474 -3.447 -13.731 717 H ASP 98 H ASP 98 -9.260 -2.831 -12.357 718 HA ASP 98 HA ASP 98 -7.224 -1.261 -13.774 719 HB2 ASP 98 2HB ASP 98 -8.298 -0.793 -10.981 720 HB3 ASP 98 1HB ASP 98 -6.848 -0.022 -11.624 721 H ILE 99 H ILE 99 -7.952 -3.960 -11.851 722 HA ILE 99 HA ILE 99 -5.282 -4.239 -10.728 723 HB ILE 99 HB ILE 99 -7.744 -5.975 -10.527 724 HG12 ILE 99 2HG1 ILE 99 -7.712 -3.798 -9.304 725 HG13 ILE 99 1HG1 ILE 99 -7.883 -5.206 -8.269 726 HG21 ILE 99 1HG2 ILE 99 -6.449 -7.179 -8.743 727 HG22 ILE 99 2HG2 ILE 99 -5.001 -6.391 -9.367 728 HG23 ILE 99 3HG2 ILE 99 -5.923 -7.486 -10.399 729 HD11 ILE 99 3HD1 ILE 99 -5.491 -5.063 -7.727 730 HD12 ILE 99 1HD1 ILE 99 -6.384 -3.610 -7.273 731 HD13 ILE 99 2HD1 ILE 99 -5.373 -3.609 -8.719 732 H GLU 100 H GLU 100 -7.251 -5.561 -13.304 733 HA GLU 100 HA GLU 100 -5.889 -7.866 -13.958 734 HB2 GLU 100 2HB GLU 100 -7.972 -7.160 -15.045 735 HB3 GLU 100 1HB GLU 100 -7.116 -5.855 -15.853 736 HG2 GLU 100 2HG GLU 100 -5.755 -7.498 -17.052 737 HG3 GLU 100 1HG GLU 100 -6.639 -8.799 -16.255 738 H SER 101 H SER 101 -5.175 -4.543 -14.961 739 HA SER 101 HA SER 101 -2.486 -5.448 -15.756 740 HB2 SER 101 2HB SER 101 -2.484 -3.680 -17.484 741 HB3 SER 101 1HB SER 101 -3.778 -4.849 -17.750 742 HG SER 101 HG SER 101 -4.497 -2.682 -17.970 743 H ILE 102 H ILE 102 -3.238 -4.571 -13.172 744 HA ILE 102 HA ILE 102 -2.783 -1.862 -12.666 745 HB ILE 102 HB ILE 102 -3.727 -3.375 -10.995 746 HG12 ILE 102 2HG1 ILE 102 -2.287 -2.603 -9.045 747 HG13 ILE 102 1HG1 ILE 102 -1.186 -1.929 -10.242 748 HG21 ILE 102 1HG2 ILE 102 -2.160 -4.832 -9.699 749 HG22 ILE 102 2HG2 ILE 102 -0.948 -4.547 -10.948 750 HG23 ILE 102 3HG2 ILE 102 -2.456 -5.367 -11.352 751 HD11 ILE 102 3HD1 ILE 102 -2.868 -0.424 -11.031 752 HD12 ILE 102 1HD1 ILE 102 -2.746 -0.279 -9.278 753 HD13 ILE 102 2HD1 ILE 102 -4.081 -1.176 -9.998 754 H ASP 103 H ASP 103 -1.009 -0.680 -12.167 755 HA ASP 103 HA ASP 103 1.619 -1.966 -12.252 756 HB2 ASP 103 2HB ASP 103 0.941 0.553 -13.781 757 HB3 ASP 103 1HB ASP 103 2.511 -0.239 -13.713 758 H ALA 104 H ALA 104 3.244 -0.830 -11.061 759 HA ALA 104 HA ALA 104 2.468 0.307 -8.696 760 HB1 ALA 104 1HB ALA 104 4.746 1.192 -8.486 761 HB2 ALA 104 2HB ALA 104 5.024 0.831 -10.192 762 HB3 ALA 104 3HB ALA 104 4.712 -0.479 -9.049 763 H THR 105 H THR 105 3.075 1.919 -11.758 764 HA THR 105 HA THR 105 2.901 4.578 -10.872 765 HB THR 105 HB THR 105 2.120 3.423 -13.556 766 HG1 THR 105 1HG THR 105 4.518 4.764 -12.809 767 HG21 THR 105 3HG2 THR 105 2.536 5.761 -14.348 768 HG22 THR 105 1HG2 THR 105 2.581 6.258 -12.655 769 HG23 THR 105 2HG2 THR 105 1.105 5.568 -13.332 770 H LYS 106 H LYS 106 0.434 2.372 -12.144 771 HA LYS 106 HA LYS 106 -1.737 4.130 -12.070 772 HB2 LYS 106 2HB LYS 106 -1.727 1.123 -11.706 773 HB3 LYS 106 1HB LYS 106 -3.138 2.100 -12.098 774 HG2 LYS 106 2HG LYS 106 -2.194 2.713 -14.218 775 HG3 LYS 106 1HG LYS 106 -0.676 1.907 -13.820 776 HD2 LYS 106 2HD LYS 106 -1.909 0.456 -15.265 777 HD3 LYS 106 1HD LYS 106 -1.962 -0.237 -13.644 778 HE2 LYS 106 2HE LYS 106 -4.194 0.581 -13.305 779 HE3 LYS 106 1HE LYS 106 -4.142 1.480 -14.820 780 HZ1 LYS 106 3HZ LYS 106 -4.034 -0.585 -16.031 781 HZ2 LYS 106 1HZ LYS 106 -5.383 -0.601 -15.011 782 HZ3 LYS 106 2HZ LYS 106 -3.998 -1.477 -14.595 783 H LEU 107 H LEU 107 -0.943 1.576 -9.678 784 HA LEU 107 HA LEU 107 -2.853 2.184 -7.788 785 HB2 LEU 107 2HB LEU 107 -0.659 0.506 -7.905 786 HB3 LEU 107 1HB LEU 107 -0.244 1.590 -6.594 787 HG LEU 107 HG LEU 107 -2.475 -0.399 -6.759 788 HD11 LEU 107 1HD1 LEU 107 -0.517 -1.207 -5.715 789 HD12 LEU 107 2HD1 LEU 107 -1.642 -0.826 -4.412 790 HD13 LEU 107 3HD1 LEU 107 -0.312 0.275 -4.782 791 HD21 LEU 107 3HD2 LEU 107 -3.465 0.608 -4.723 792 HD22 LEU 107 1HD2 LEU 107 -3.635 1.626 -6.151 793 HD23 LEU 107 2HD2 LEU 107 -2.412 2.007 -4.940 794 H SER 108 H SER 108 0.496 3.394 -7.854 795 HA SER 108 HA SER 108 0.284 5.196 -5.737 796 HB2 SER 108 2HB SER 108 2.035 5.369 -8.200 797 HB3 SER 108 1HB SER 108 2.273 6.289 -6.715 798 HG SER 108 HG SER 108 3.549 4.337 -6.877 799 H ARG 109 H ARG 109 -0.684 5.483 -9.076 800 HA ARG 109 HA ARG 109 -1.011 8.296 -9.110 801 HB2 ARG 109 2HB ARG 109 -0.790 6.870 -11.148 802 HB3 ARG 109 1HB ARG 109 -2.382 6.214 -10.820 803 HG2 ARG 109 2HG ARG 109 -1.994 9.161 -11.154 804 HG3 ARG 109 1HG ARG 109 -2.133 8.098 -12.555 805 HD2 ARG 109 2HD ARG 109 -4.267 7.229 -11.539 806 HD3 ARG 109 1HD ARG 109 -4.148 8.538 -10.358 807 HE ARG 109 HE ARG 109 -3.991 9.878 -12.669 808 HH11 ARG 109 1HH1 ARG 109 -6.181 7.384 -11.604 809 HH12 ARG 109 2HH1 ARG 109 -7.508 7.963 -12.553 810 HH21 ARG 109 1HH2 ARG 109 -5.734 10.651 -13.920 811 HH22 ARG 109 2HH2 ARG 109 -7.254 9.824 -13.868 812 H PHE 110 H PHE 110 -3.491 5.750 -9.216 813 HA PHE 110 HA PHE 110 -5.731 7.182 -8.694 814 HB2 PHE 110 2HB PHE 110 -4.906 4.418 -7.876 815 HB3 PHE 110 1HB PHE 110 -6.432 5.075 -7.285 816 HD1 PHE 110 2HD PHE 110 -4.530 4.411 -10.407 817 HD2 PHE 110 1HD PHE 110 -8.338 4.997 -8.599 818 HE1 PHE 110 2HE PHE 110 -5.625 3.779 -12.518 819 HE2 PHE 110 1HE PHE 110 -9.440 4.365 -10.706 820 HZ PHE 110 HZ PHE 110 -8.083 3.754 -12.669 821 H ILE 111 H ILE 111 -3.422 5.975 -6.288 822 HA ILE 111 HA ILE 111 -4.743 6.967 -4.015 823 HB ILE 111 HB ILE 111 -1.787 6.527 -4.488 824 HG12 ILE 111 2HG1 ILE 111 -3.716 4.831 -2.905 825 HG13 ILE 111 1HG1 ILE 111 -3.416 4.571 -4.617 826 HG21 ILE 111 1HG2 ILE 111 -2.122 8.108 -2.671 827 HG22 ILE 111 2HG2 ILE 111 -1.571 6.550 -2.048 828 HG23 ILE 111 3HG2 ILE 111 -3.269 7.004 -1.906 829 HD11 ILE 111 3HD1 ILE 111 -2.095 3.068 -3.237 830 HD12 ILE 111 1HD1 ILE 111 -1.347 4.453 -2.440 831 HD13 ILE 111 2HD1 ILE 111 -1.064 4.166 -4.156 832 H GLU 112 H GLU 112 -2.017 8.338 -5.850 833 HA GLU 112 HA GLU 112 -1.827 10.777 -4.558 834 HB2 GLU 112 2HB GLU 112 -0.263 9.844 -6.304 835 HB3 GLU 112 1HB GLU 112 -1.434 10.345 -7.523 836 HG2 GLU 112 2HG GLU 112 0.235 12.019 -7.424 837 HG3 GLU 112 1HG GLU 112 -1.208 12.677 -6.653 838 H ILE 113 H ILE 113 -4.288 9.580 -6.569 839 HA ILE 113 HA ILE 113 -5.293 12.186 -7.344 840 HB ILE 113 HB ILE 113 -5.747 9.410 -8.168 841 HG12 ILE 113 2HG1 ILE 113 -6.030 10.466 -10.354 842 HG13 ILE 113 1HG1 ILE 113 -6.069 12.054 -9.595 843 HG21 ILE 113 1HG2 ILE 113 -8.068 11.319 -8.087 844 HG22 ILE 113 2HG2 ILE 113 -7.952 9.727 -7.333 845 HG23 ILE 113 3HG2 ILE 113 -8.003 9.869 -9.090 846 HD11 ILE 113 3HD1 ILE 113 -3.905 11.547 -10.624 847 HD12 ILE 113 1HD1 ILE 113 -3.728 10.164 -9.545 848 HD13 ILE 113 2HD1 ILE 113 -3.773 11.798 -8.884 849 H ASN 114 H ASN 114 -6.136 9.562 -5.117 850 HA ASN 114 HA ASN 114 -8.201 11.339 -3.992 851 HB2 ASN 114 2HB ASN 114 -8.328 8.337 -4.309 852 HB3 ASN 114 1HB ASN 114 -9.470 9.281 -3.356 853 HD21 ASN 114 1HD2 ASN 114 -9.778 7.623 -5.808 854 HD22 ASN 114 2HD2 ASN 114 -10.553 8.659 -6.952 855 H SER 115 H SER 115 -5.393 11.021 -3.173 856 HA SER 115 HA SER 115 -5.490 9.567 -0.679 857 HB2 SER 115 2HB SER 115 -3.189 10.373 -0.367 858 HB3 SER 115 1HB SER 115 -3.399 9.682 -1.976 859 HG SER 115 HG SER 115 -2.994 11.563 -2.823 860 H LEU 116 H LEU 116 -7.491 11.492 -0.822 861 HA LEU 116 HA LEU 116 -6.629 13.795 0.716 862 HB2 LEU 116 2HB LEU 116 -9.407 13.013 -0.149 863 HB3 LEU 116 1HB LEU 116 -8.904 14.575 0.471 864 HG LEU 116 HG LEU 116 -8.081 13.354 -2.163 865 HD11 LEU 116 1HD1 LEU 116 -9.357 15.198 -3.135 866 HD12 LEU 116 2HD1 LEU 116 -9.833 15.724 -1.521 867 HD13 LEU 116 3HD1 LEU 116 -10.380 14.164 -2.139 868 HD21 LEU 116 3HD2 LEU 116 -7.346 16.005 -0.925 869 HD22 LEU 116 1HD2 LEU 116 -6.992 15.519 -2.583 870 HD23 LEU 116 2HD2 LEU 116 -6.257 14.654 -1.235 Start of MODEL 21 1 H GLU 1 H GLU 1 22.775 -9.862 -3.967 2 HA GLU 1 HA GLU 1 20.720 -10.810 -5.671 3 HB2 GLU 1 2HB GLU 1 19.255 -8.734 -5.648 4 HB3 GLU 1 1HB GLU 1 19.062 -9.837 -4.295 5 HG2 GLU 1 2HG GLU 1 19.036 -7.635 -3.427 6 HG3 GLU 1 1HG GLU 1 20.578 -8.360 -2.973 7 H VAL 2 H VAL 2 20.302 -9.167 -7.519 8 HA VAL 2 HA VAL 2 22.560 -7.359 -7.929 9 HB VAL 2 HB VAL 2 23.299 -9.519 -8.849 10 HG11 VAL 2 1HG1 VAL 2 22.175 -10.490 -10.789 11 HG12 VAL 2 2HG1 VAL 2 20.901 -9.277 -10.660 12 HG13 VAL 2 3HG1 VAL 2 21.119 -10.466 -9.376 13 HG21 VAL 2 3HG2 VAL 2 22.681 -7.460 -10.966 14 HG22 VAL 2 1HG2 VAL 2 23.899 -8.729 -11.086 15 HG23 VAL 2 2HG2 VAL 2 24.074 -7.451 -9.885 16 H GLU 3 H GLU 3 19.347 -8.400 -8.603 17 HA GLU 3 HA GLU 3 18.727 -6.826 -10.838 18 HB2 GLU 3 2HB GLU 3 17.267 -8.615 -10.001 19 HB3 GLU 3 1HB GLU 3 16.926 -7.669 -8.558 20 HG2 GLU 3 2HG GLU 3 15.096 -7.522 -10.130 21 HG3 GLU 3 1HG GLU 3 15.868 -5.951 -9.933 22 H LYS 4 H LYS 4 17.907 -6.135 -7.430 23 HA LYS 4 HA LYS 4 17.642 -3.306 -8.102 24 HB2 LYS 4 2HB LYS 4 16.989 -4.798 -5.553 25 HB3 LYS 4 1HB LYS 4 16.687 -3.089 -5.829 26 HG2 LYS 4 2HG LYS 4 15.476 -5.323 -7.440 27 HG3 LYS 4 1HG LYS 4 14.682 -4.498 -6.097 28 HD2 LYS 4 2HD LYS 4 14.841 -2.375 -7.310 29 HD3 LYS 4 1HD LYS 4 15.637 -3.202 -8.651 30 HE2 LYS 4 2HE LYS 4 12.845 -3.739 -7.642 31 HE3 LYS 4 1HE LYS 4 13.261 -2.845 -9.105 32 HZ1 LYS 4 3HZ LYS 4 13.871 -5.708 -8.591 33 HZ2 LYS 4 1HZ LYS 4 14.278 -4.853 -9.993 34 HZ3 LYS 4 2HZ LYS 4 12.654 -5.123 -9.610 35 H SER 5 H SER 5 20.179 -3.802 -8.385 36 HA SER 5 HA SER 5 21.712 -3.638 -5.971 37 HB2 SER 5 2HB SER 5 22.646 -4.685 -7.979 38 HB3 SER 5 1HB SER 5 22.522 -3.157 -8.850 39 HG SER 5 HG SER 5 23.983 -3.341 -6.446 40 H SER 6 H SER 6 20.785 -1.810 -4.931 41 HA SER 6 HA SER 6 22.023 0.684 -5.754 42 HB2 SER 6 2HB SER 6 19.028 0.467 -5.355 43 HB3 SER 6 1HB SER 6 19.923 1.968 -5.597 44 HG SER 6 HG SER 6 20.615 1.025 -7.640 45 H ASP 7 H ASP 7 22.174 -1.293 -3.548 46 HA ASP 7 HA ASP 7 22.462 -1.351 -1.297 47 HB2 ASP 7 2HB ASP 7 22.554 1.655 -1.636 48 HB3 ASP 7 1HB ASP 7 23.046 0.788 -0.184 49 H GLY 8 H GLY 8 20.186 -2.145 -1.314 50 HA2 GLY 8 2HA GLY 8 18.420 -0.249 0.108 51 HA3 GLY 8 1HA GLY 8 17.826 -1.495 -0.978 52 HA PRO 9 HA PRO 9 19.336 -3.473 3.260 53 HB2 PRO 9 2HB PRO 9 18.412 -1.312 5.048 54 HB3 PRO 9 1HB PRO 9 19.907 -2.251 5.101 55 HG2 PRO 9 2HG PRO 9 19.921 0.313 4.351 56 HG3 PRO 9 1HG PRO 9 20.977 -0.881 3.570 57 HD2 PRO 9 2HD PRO 9 18.379 0.264 2.603 58 HD3 PRO 9 1HD PRO 9 19.884 -0.018 1.702 59 H GLY 10 H GLY 10 17.941 -4.772 4.409 60 HA2 GLY 10 2HA GLY 10 15.228 -4.799 3.665 61 HA3 GLY 10 1HA GLY 10 15.940 -5.757 4.953 62 H ALA 11 H ALA 11 13.975 -3.085 4.167 63 HA ALA 11 HA ALA 11 13.194 -2.757 6.921 64 HB1 ALA 11 1HB ALA 11 15.165 -1.308 6.837 65 HB2 ALA 11 2HB ALA 11 13.686 -0.372 7.058 66 HB3 ALA 11 3HB ALA 11 14.462 -0.436 5.475 67 H ALA 12 H ALA 12 12.879 -2.184 3.561 68 HA ALA 12 HA ALA 12 10.901 -0.405 3.172 69 HB1 ALA 12 1HB ALA 12 10.820 -3.128 1.894 70 HB2 ALA 12 2HB ALA 12 11.973 -1.872 1.445 71 HB3 ALA 12 3HB ALA 12 10.244 -1.599 1.227 72 H GLN 13 H GLN 13 9.366 -0.096 4.686 73 HA GLN 13 HA GLN 13 7.961 -1.900 6.184 74 HB2 GLN 13 2HB GLN 13 6.133 -0.175 6.241 75 HB3 GLN 13 1HB GLN 13 7.738 0.432 6.629 76 HG2 GLN 13 2HG GLN 13 7.960 1.365 4.407 77 HG3 GLN 13 1HG GLN 13 6.400 0.685 3.945 78 HE21 GLN 13 1HE2 GLN 13 5.569 2.709 3.441 79 HE22 GLN 13 2HE2 GLN 13 5.135 3.856 4.659 80 H GLU 14 H GLU 14 6.152 -3.147 5.965 81 HA GLU 14 HA GLU 14 5.150 -3.495 3.220 82 HB2 GLU 14 2HB GLU 14 4.718 -5.784 3.731 83 HB3 GLU 14 1HB GLU 14 6.344 -5.433 4.300 84 HG2 GLU 14 2HG GLU 14 5.462 -5.170 6.581 85 HG3 GLU 14 1HG GLU 14 3.858 -5.598 5.986 86 HA PRO 15 HA PRO 15 1.081 -2.299 4.406 87 HB2 PRO 15 2HB PRO 15 -0.481 -4.075 3.045 88 HB3 PRO 15 1HB PRO 15 0.348 -2.714 2.283 89 HG2 PRO 15 2HG PRO 15 1.135 -5.594 2.395 90 HG3 PRO 15 1HG PRO 15 1.236 -4.453 1.042 91 HD2 PRO 15 2HD PRO 15 3.382 -5.119 2.548 92 HD3 PRO 15 1HD PRO 15 3.192 -3.516 1.811 93 H THR 16 H THR 16 -0.494 -2.695 5.893 94 HA THR 16 HA THR 16 -0.045 -4.631 7.871 95 HB THR 16 HB THR 16 -2.655 -3.187 7.388 96 HG1 THR 16 1HG THR 16 -0.616 -2.220 9.082 97 HG21 THR 16 3HG2 THR 16 -2.716 -4.960 9.088 98 HG22 THR 16 1HG2 THR 16 -2.898 -3.362 9.813 99 HG23 THR 16 2HG2 THR 16 -1.354 -4.207 9.916 100 H TRP 17 H TRP 17 -1.329 -6.401 8.545 101 HA TRP 17 HA TRP 17 -2.564 -7.845 6.314 102 HB2 TRP 17 2HB TRP 17 -1.521 -8.802 8.986 103 HB3 TRP 17 1HB TRP 17 -2.316 -9.842 7.809 104 HD1 TRP 17 HD TRP 17 0.945 -7.924 8.391 105 HE1 TRP 17 1HE TRP 17 2.728 -8.827 6.768 106 HE3 TRP 17 3HE TRP 17 -2.010 -10.990 5.559 107 HZ2 TRP 17 2HZ TRP 17 2.864 -10.603 4.579 108 HZ3 TRP 17 3HZ TRP 17 -0.974 -12.256 3.721 109 HH2 TRP 17 HH TRP 17 1.412 -12.064 3.242 110 H LEU 18 H LEU 18 -4.617 -6.973 6.290 111 HA LEU 18 HA LEU 18 -6.220 -6.986 8.725 112 HB2 LEU 18 2HB LEU 18 -6.999 -6.168 5.926 113 HB3 LEU 18 1HB LEU 18 -7.879 -5.824 7.403 114 HG LEU 18 HG LEU 18 -5.132 -4.759 6.762 115 HD11 LEU 18 1HD1 LEU 18 -6.302 -2.599 6.474 116 HD12 LEU 18 2HD1 LEU 18 -7.838 -3.459 6.564 117 HD13 LEU 18 3HD1 LEU 18 -6.717 -3.793 5.246 118 HD21 LEU 18 3HD2 LEU 18 -7.055 -4.194 9.010 119 HD22 LEU 18 1HD2 LEU 18 -5.620 -3.230 8.662 120 HD23 LEU 18 2HD2 LEU 18 -5.455 -4.922 9.131 121 H THR 19 H THR 19 -5.981 -9.399 8.769 122 HA THR 19 HA THR 19 -7.316 -10.985 6.811 123 HB THR 19 HB THR 19 -7.000 -12.850 8.352 124 HG1 THR 19 1HG THR 19 -7.407 -11.563 10.295 125 HG21 THR 19 3HG2 THR 19 -4.558 -12.761 8.548 126 HG22 THR 19 1HG2 THR 19 -4.599 -11.024 8.250 127 HG23 THR 19 2HG2 THR 19 -5.099 -12.147 6.986 128 H ASP 20 H ASP 20 -8.641 -8.867 8.911 129 HA ASP 20 HA ASP 20 -11.162 -10.339 8.914 130 HB2 ASP 20 2HB ASP 20 -9.871 -9.181 11.385 131 HB3 ASP 20 1HB ASP 20 -11.578 -9.607 11.295 132 H VAL 21 H VAL 21 -13.003 -9.076 8.916 133 HA VAL 21 HA VAL 21 -12.870 -6.613 7.634 134 HB VAL 21 HB VAL 21 -15.166 -7.613 9.326 135 HG11 VAL 21 1HG1 VAL 21 -15.437 -5.290 8.762 136 HG12 VAL 21 2HG1 VAL 21 -16.535 -6.253 7.773 137 HG13 VAL 21 3HG1 VAL 21 -15.047 -5.616 7.073 138 HG21 VAL 21 3HG2 VAL 21 -14.582 -8.083 6.404 139 HG22 VAL 21 1HG2 VAL 21 -16.035 -8.592 7.263 140 HG23 VAL 21 2HG2 VAL 21 -14.469 -9.287 7.688 141 HA PRO 22 HA PRO 22 -13.817 -4.542 11.980 142 HB2 PRO 22 2HB PRO 22 -12.624 -5.915 14.063 143 HB3 PRO 22 1HB PRO 22 -14.345 -5.974 13.674 144 HG2 PRO 22 2HG PRO 22 -12.172 -7.898 12.959 145 HG3 PRO 22 1HG PRO 22 -13.836 -8.226 13.480 146 HD2 PRO 22 2HD PRO 22 -13.128 -8.414 10.908 147 HD3 PRO 22 1HD PRO 22 -14.716 -7.772 11.378 148 H ALA 23 H ALA 23 -10.879 -6.558 11.801 149 HA ALA 23 HA ALA 23 -9.135 -4.620 12.862 150 HB1 ALA 23 1HB ALA 23 -8.483 -6.886 10.975 151 HB2 ALA 23 2HB ALA 23 -8.563 -7.007 12.734 152 HB3 ALA 23 3HB ALA 23 -7.332 -5.998 11.973 153 H ALA 24 H ALA 24 -10.302 -5.283 9.661 154 HA ALA 24 HA ALA 24 -8.506 -3.637 8.224 155 HB1 ALA 24 1HB ALA 24 -10.289 -3.683 6.455 156 HB2 ALA 24 2HB ALA 24 -11.301 -4.583 7.588 157 HB3 ALA 24 3HB ALA 24 -9.775 -5.272 7.029 158 H MET 25 H MET 25 -11.894 -3.071 9.150 159 HA MET 25 HA MET 25 -11.978 -0.363 8.457 160 HB2 MET 25 2HB MET 25 -13.614 -1.757 10.580 161 HB3 MET 25 1HB MET 25 -14.032 -0.268 9.744 162 HG2 MET 25 2HG MET 25 -14.099 -1.543 7.618 163 HG3 MET 25 1HG MET 25 -13.824 -3.017 8.542 164 HE1 MET 25 3HE MET 25 -15.461 -2.481 11.166 165 HE2 MET 25 1HE MET 25 -15.585 -4.016 10.309 166 HE3 MET 25 2HE MET 25 -17.047 -3.151 10.786 167 H GLU 26 H GLU 26 -10.678 -1.969 11.245 168 HA GLU 26 HA GLU 26 -10.723 0.317 12.963 169 HB2 GLU 26 2HB GLU 26 -9.414 -2.371 13.065 170 HB3 GLU 26 1HB GLU 26 -8.871 -1.108 14.163 171 HG2 GLU 26 2HG GLU 26 -11.298 -0.847 14.835 172 HG3 GLU 26 1HG GLU 26 -11.589 -2.355 13.968 173 H PHE 27 H PHE 27 -8.140 -1.301 11.113 174 HA PHE 27 HA PHE 27 -6.138 0.554 11.701 175 HB2 PHE 27 2HB PHE 27 -6.539 -1.523 9.622 176 HB3 PHE 27 1HB PHE 27 -5.348 -0.276 9.263 177 HD1 PHE 27 2HD PHE 27 -6.210 -3.064 11.477 178 HD2 PHE 27 1HD PHE 27 -3.301 -0.111 10.519 179 HE1 PHE 27 2HE PHE 27 -4.565 -4.238 12.877 180 HE2 PHE 27 1HE PHE 27 -1.649 -1.279 11.918 181 HZ PHE 27 HZ PHE 27 -2.280 -3.346 13.100 182 H ILE 28 H ILE 28 -8.734 0.587 9.356 183 HA ILE 28 HA ILE 28 -7.774 2.885 7.929 184 HB ILE 28 HB ILE 28 -10.446 1.500 8.036 185 HG12 ILE 28 2HG1 ILE 28 -8.651 1.963 5.656 186 HG13 ILE 28 1HG1 ILE 28 -8.430 0.588 6.739 187 HG21 ILE 28 1HG2 ILE 28 -10.984 3.824 7.782 188 HG22 ILE 28 2HG2 ILE 28 -11.177 3.032 6.221 189 HG23 ILE 28 3HG2 ILE 28 -9.754 4.019 6.537 190 HD11 ILE 28 3HD1 ILE 28 -10.455 -0.376 6.116 191 HD12 ILE 28 1HD1 ILE 28 -9.790 0.246 4.606 192 HD13 ILE 28 2HD1 ILE 28 -11.068 1.133 5.435 193 H ALA 29 H ALA 29 -10.042 2.304 10.567 194 HA ALA 29 HA ALA 29 -10.933 4.999 10.802 195 HB1 ALA 29 1HB ALA 29 -11.037 2.721 12.780 196 HB2 ALA 29 2HB ALA 29 -12.291 3.165 11.619 197 HB3 ALA 29 3HB ALA 29 -11.891 4.257 12.945 198 H ALA 30 H ALA 30 -8.087 3.383 11.737 199 HA ALA 30 HA ALA 30 -7.477 5.302 13.858 200 HB1 ALA 30 1HB ALA 30 -5.551 3.894 14.333 201 HB2 ALA 30 2HB ALA 30 -5.909 2.905 12.919 202 HB3 ALA 30 3HB ALA 30 -7.029 2.932 14.282 203 H THR 31 H THR 31 -7.590 5.965 10.932 204 HA THR 31 HA THR 31 -5.312 7.660 10.854 205 HB THR 31 HB THR 31 -4.145 5.603 10.240 206 HG1 THR 31 1HG THR 31 -3.436 7.493 9.205 207 HG21 THR 31 3HG2 THR 31 -5.781 5.432 7.739 208 HG22 THR 31 1HG2 THR 31 -6.317 4.629 9.216 209 HG23 THR 31 2HG2 THR 31 -4.765 4.206 8.499 210 H GLU 32 H GLU 32 -5.322 9.102 9.061 211 HA GLU 32 HA GLU 32 -7.890 9.806 8.124 212 HB2 GLU 32 2HB GLU 32 -5.692 11.209 8.405 213 HB3 GLU 32 1HB GLU 32 -5.388 10.716 6.745 214 HG2 GLU 32 2HG GLU 32 -7.462 11.730 6.031 215 HG3 GLU 32 1HG GLU 32 -7.851 12.153 7.698 216 H VAL 33 H VAL 33 -5.138 9.120 5.964 217 HA VAL 33 HA VAL 33 -7.020 7.926 4.066 218 HB VAL 33 HB VAL 33 -4.122 8.599 3.576 219 HG11 VAL 33 1HG1 VAL 33 -6.436 8.089 1.706 220 HG12 VAL 33 2HG1 VAL 33 -5.049 7.031 1.981 221 HG13 VAL 33 3HG1 VAL 33 -4.820 8.601 1.211 222 HG21 VAL 33 3HG2 VAL 33 -5.246 10.627 4.226 223 HG22 VAL 33 1HG2 VAL 33 -6.585 10.278 3.132 224 HG23 VAL 33 2HG2 VAL 33 -4.986 10.649 2.482 225 H ALA 34 H ALA 34 -6.943 5.829 3.441 226 HA ALA 34 HA ALA 34 -4.731 4.156 4.368 227 HB1 ALA 34 1HB ALA 34 -7.632 3.713 5.023 228 HB2 ALA 34 2HB ALA 34 -6.272 3.863 6.137 229 HB3 ALA 34 3HB ALA 34 -6.422 2.434 5.114 230 H VAL 35 H VAL 35 -4.026 2.910 2.789 231 HA VAL 35 HA VAL 35 -5.892 2.210 0.624 232 HB VAL 35 HB VAL 35 -2.912 2.653 0.547 233 HG11 VAL 35 1HG1 VAL 35 -4.691 1.476 -1.595 234 HG12 VAL 35 2HG1 VAL 35 -3.381 0.648 -0.752 235 HG13 VAL 35 3HG1 VAL 35 -3.023 1.996 -1.831 236 HG21 VAL 35 3HG2 VAL 35 -4.230 4.646 0.388 237 HG22 VAL 35 1HG2 VAL 35 -5.287 3.902 -0.813 238 HG23 VAL 35 2HG2 VAL 35 -3.607 4.268 -1.222 239 H ILE 36 H ILE 36 -6.306 0.147 0.262 240 HA ILE 36 HA ILE 36 -4.588 -1.862 1.541 241 HB ILE 36 HB ILE 36 -7.596 -1.764 1.724 242 HG12 ILE 36 2HG1 ILE 36 -5.687 -1.717 4.036 243 HG13 ILE 36 1HG1 ILE 36 -6.033 -0.230 3.165 244 HG21 ILE 36 1HG2 ILE 36 -5.599 -3.799 2.714 245 HG22 ILE 36 2HG2 ILE 36 -6.906 -4.050 1.555 246 HG23 ILE 36 3HG2 ILE 36 -7.280 -3.720 3.247 247 HD11 ILE 36 3HD1 ILE 36 -7.451 -0.341 5.055 248 HD12 ILE 36 1HD1 ILE 36 -7.967 -1.977 4.646 249 HD13 ILE 36 2HD1 ILE 36 -8.442 -0.621 3.623 250 H GLY 37 H GLY 37 -4.260 -3.692 0.449 251 HA2 GLY 37 2HA GLY 37 -5.500 -3.907 -2.197 252 HA3 GLY 37 1HA GLY 37 -3.999 -4.668 -1.708 253 H PHE 38 H PHE 38 -7.440 -4.953 -1.850 254 HA PHE 38 HA PHE 38 -7.543 -7.360 -0.240 255 HB2 PHE 38 2HB PHE 38 -9.651 -6.058 -1.984 256 HB3 PHE 38 1HB PHE 38 -9.921 -7.418 -0.901 257 HD1 PHE 38 2HD PHE 38 -8.815 -6.866 1.562 258 HD2 PHE 38 1HD PHE 38 -10.484 -4.077 -1.176 259 HE1 PHE 38 2HE PHE 38 -9.273 -5.325 3.421 260 HE2 PHE 38 1HE PHE 38 -10.948 -2.531 0.679 261 HZ PHE 38 HZ PHE 38 -10.343 -3.152 2.980 262 H PHE 39 H PHE 39 -6.189 -8.801 -1.246 263 HA PHE 39 HA PHE 39 -6.857 -9.560 -4.009 264 HB2 PHE 39 2HB PHE 39 -4.321 -10.193 -2.502 265 HB3 PHE 39 1HB PHE 39 -4.614 -10.383 -4.229 266 HD1 PHE 39 1HD PHE 39 -5.813 -7.864 -5.000 267 HD2 PHE 39 2HD PHE 39 -2.648 -8.627 -2.260 268 HE1 PHE 39 1HE PHE 39 -4.922 -5.610 -5.407 269 HE2 PHE 39 2HE PHE 39 -1.754 -6.370 -2.661 270 HZ PHE 39 HZ PHE 39 -2.893 -4.858 -4.234 271 H GLN 40 H GLN 40 -7.353 -11.625 -4.537 272 HA GLN 40 HA GLN 40 -7.961 -13.453 -2.362 273 HB2 GLN 40 2HB GLN 40 -8.397 -13.729 -5.347 274 HB3 GLN 40 1HB GLN 40 -9.006 -14.833 -4.122 275 HG2 GLN 40 2HG GLN 40 -10.382 -13.054 -3.189 276 HG3 GLN 40 1HG GLN 40 -9.757 -11.932 -4.396 277 HE21 GLN 40 1HE2 GLN 40 -10.413 -12.136 -6.540 278 HE22 GLN 40 2HE2 GLN 40 -11.799 -13.063 -6.990 279 H ASP 41 H ASP 41 -5.416 -12.709 -4.338 280 HA ASP 41 HA ASP 41 -3.975 -15.133 -3.638 281 HB2 ASP 41 2HB ASP 41 -5.018 -15.485 -5.926 282 HB3 ASP 41 1HB ASP 41 -4.025 -14.147 -6.502 283 H LEU 42 H LEU 42 -2.038 -14.511 -2.851 284 HA LEU 42 HA LEU 42 -1.166 -11.781 -3.371 285 HB2 LEU 42 2HB LEU 42 -0.142 -13.817 -1.394 286 HB3 LEU 42 1HB LEU 42 0.451 -12.171 -1.541 287 HG LEU 42 HG LEU 42 -2.352 -12.961 -0.750 288 HD11 LEU 42 1HD1 LEU 42 -0.681 -13.451 0.971 289 HD12 LEU 42 2HD1 LEU 42 -1.739 -12.123 1.450 290 HD13 LEU 42 3HD1 LEU 42 -0.103 -11.787 0.882 291 HD21 LEU 42 3HD2 LEU 42 -1.031 -10.256 -0.971 292 HD22 LEU 42 1HD2 LEU 42 -2.605 -10.556 -0.235 293 HD23 LEU 42 2HD2 LEU 42 -2.363 -10.863 -1.954 294 H GLU 43 H GLU 43 -0.888 -13.268 -5.596 295 HA GLU 43 HA GLU 43 2.027 -13.367 -5.878 296 HB2 GLU 43 2HB GLU 43 0.146 -15.457 -6.990 297 HB3 GLU 43 1HB GLU 43 1.875 -15.373 -7.289 298 HG2 GLU 43 2HG GLU 43 2.294 -15.719 -4.910 299 HG3 GLU 43 1HG GLU 43 0.558 -15.834 -4.628 300 H ILE 44 H ILE 44 -0.550 -11.779 -6.652 301 HA ILE 44 HA ILE 44 -0.249 -11.660 -9.550 302 HB ILE 44 HB ILE 44 -2.040 -9.833 -9.272 303 HG12 ILE 44 2HG1 ILE 44 -2.555 -11.180 -6.647 304 HG13 ILE 44 1HG1 ILE 44 -1.502 -9.776 -6.740 305 HG21 ILE 44 1HG2 ILE 44 -2.416 -12.137 -10.111 306 HG22 ILE 44 2HG2 ILE 44 -3.804 -11.462 -9.256 307 HG23 ILE 44 3HG2 ILE 44 -2.768 -12.644 -8.455 308 HD11 ILE 44 3HD1 ILE 44 -3.411 -8.590 -7.872 309 HD12 ILE 44 1HD1 ILE 44 -3.615 -8.968 -6.162 310 HD13 ILE 44 2HD1 ILE 44 -4.414 -9.958 -7.385 311 HA PRO 45 HA PRO 45 2.361 -8.114 -9.903 312 HB2 PRO 45 2HB PRO 45 0.141 -6.808 -11.412 313 HB3 PRO 45 1HB PRO 45 1.835 -7.008 -11.864 314 HG2 PRO 45 2HG PRO 45 -0.021 -8.538 -12.974 315 HG3 PRO 45 1HG PRO 45 1.536 -9.237 -12.489 316 HD2 PRO 45 2HD PRO 45 -1.132 -9.426 -11.146 317 HD3 PRO 45 1HD PRO 45 0.136 -10.657 -11.314 318 H ALA 46 H ALA 46 -0.944 -7.662 -8.862 319 HA ALA 46 HA ALA 46 -0.775 -4.959 -8.079 320 HB1 ALA 46 1HB ALA 46 -2.867 -6.312 -8.424 321 HB2 ALA 46 2HB ALA 46 -2.849 -5.295 -6.983 322 HB3 ALA 46 3HB ALA 46 -2.566 -7.033 -6.842 323 H VAL 47 H VAL 47 -0.164 -7.964 -6.288 324 HA VAL 47 HA VAL 47 0.025 -6.862 -3.744 325 HB VAL 47 HB VAL 47 1.828 -9.122 -4.525 326 HG11 VAL 47 1HG1 VAL 47 1.144 -9.955 -2.303 327 HG12 VAL 47 2HG1 VAL 47 0.167 -8.504 -2.084 328 HG13 VAL 47 3HG1 VAL 47 1.920 -8.374 -2.229 329 HG21 VAL 47 3HG2 VAL 47 -1.169 -9.247 -4.220 330 HG22 VAL 47 1HG2 VAL 47 -0.097 -10.647 -4.267 331 HG23 VAL 47 2HG2 VAL 47 -0.237 -9.597 -5.677 332 HA PRO 48 HA PRO 48 4.841 -6.318 -4.402 333 HB2 PRO 48 2HB PRO 48 4.964 -6.067 -7.354 334 HB3 PRO 48 1HB PRO 48 6.072 -6.892 -6.248 335 HG2 PRO 48 2HG PRO 48 4.431 -8.280 -7.820 336 HG3 PRO 48 1HG PRO 48 4.764 -8.804 -6.158 337 HD2 PRO 48 2HD PRO 48 2.369 -7.381 -7.251 338 HD3 PRO 48 1HD PRO 48 2.448 -8.711 -6.083 339 H ILE 49 H ILE 49 2.754 -4.972 -6.913 340 HA ILE 49 HA ILE 49 3.890 -2.424 -7.055 341 HB ILE 49 HB ILE 49 1.271 -3.601 -7.821 342 HG12 ILE 49 2HG1 ILE 49 3.039 -1.914 -9.532 343 HG13 ILE 49 1HG1 ILE 49 3.561 -3.536 -9.100 344 HG21 ILE 49 1HG2 ILE 49 0.744 -1.268 -8.809 345 HG22 ILE 49 2HG2 ILE 49 1.789 -0.682 -7.515 346 HG23 ILE 49 3HG2 ILE 49 0.344 -1.611 -7.127 347 HD11 ILE 49 3HD1 ILE 49 2.304 -3.193 -11.302 348 HD12 ILE 49 1HD1 ILE 49 0.864 -3.053 -10.294 349 HD13 ILE 49 2HD1 ILE 49 1.822 -4.535 -10.261 350 H LEU 50 H LEU 50 1.507 -3.776 -4.862 351 HA LEU 50 HA LEU 50 0.818 -1.249 -3.694 352 HB2 LEU 50 2HB LEU 50 -0.796 -3.028 -3.594 353 HB3 LEU 50 1HB LEU 50 0.346 -4.087 -2.799 354 HG LEU 50 HG LEU 50 0.329 -2.496 -0.848 355 HD11 LEU 50 1HD1 LEU 50 -2.092 -1.355 -2.229 356 HD12 LEU 50 2HD1 LEU 50 -0.527 -0.551 -2.116 357 HD13 LEU 50 3HD1 LEU 50 -1.448 -0.894 -0.653 358 HD21 LEU 50 3HD2 LEU 50 -2.420 -3.574 -1.426 359 HD22 LEU 50 1HD2 LEU 50 -1.576 -3.457 0.122 360 HD23 LEU 50 2HD2 LEU 50 -1.048 -4.634 -1.082 361 H HIS 51 H HIS 51 2.749 -4.046 -2.602 362 HA HIS 51 HA HIS 51 3.712 -2.991 -0.231 363 HB2 HIS 51 2HB HIS 51 5.006 -4.851 -2.226 364 HB3 HIS 51 1HB HIS 51 5.788 -4.412 -0.712 365 HD1 HIS 51 1HD HIS 51 2.239 -5.564 -1.503 366 HD2 HIS 51 2HD HIS 51 5.445 -6.471 0.978 367 HE1 HIS 51 1HE HIS 51 1.460 -7.474 -0.065 368 HE2 HIS 51 2HE HIS 51 3.395 -7.969 1.468 369 H SER 52 H SER 52 4.521 -2.237 -3.512 370 HA SER 52 HA SER 52 6.942 -0.808 -2.883 371 HB2 SER 52 2HB SER 52 6.684 -1.883 -5.073 372 HB3 SER 52 1HB SER 52 5.286 -0.864 -5.420 373 HG SER 52 HG SER 52 7.730 -0.314 -6.011 374 H MET 53 H MET 53 3.639 0.097 -3.889 375 HA MET 53 HA MET 53 3.996 2.862 -3.841 376 HB2 MET 53 2HB MET 53 1.702 3.057 -4.017 377 HB3 MET 53 1HB MET 53 1.955 1.424 -4.611 378 HG2 MET 53 2HG MET 53 0.138 1.200 -3.214 379 HG3 MET 53 1HG MET 53 1.482 0.696 -2.197 380 HE1 MET 53 3HE MET 53 -0.615 2.379 0.551 381 HE2 MET 53 1HE MET 53 0.391 1.002 0.101 382 HE3 MET 53 2HE MET 53 -1.136 1.286 -0.732 383 H VAL 54 H VAL 54 3.663 0.551 -1.309 384 HA VAL 54 HA VAL 54 2.805 2.042 0.840 385 HB VAL 54 HB VAL 54 4.875 -0.142 0.740 386 HG11 VAL 54 1HG1 VAL 54 3.542 1.061 3.152 387 HG12 VAL 54 2HG1 VAL 54 5.249 1.189 2.731 388 HG13 VAL 54 3HG1 VAL 54 4.557 -0.380 3.153 389 HG21 VAL 54 3HG2 VAL 54 2.932 -1.399 1.835 390 HG22 VAL 54 1HG2 VAL 54 2.819 -1.050 0.111 391 HG23 VAL 54 2HG2 VAL 54 1.927 -0.066 1.267 392 H GLN 55 H GLN 55 6.142 1.663 -0.334 393 HA GLN 55 HA GLN 55 7.206 3.514 1.562 394 HB2 GLN 55 2HB GLN 55 8.529 2.658 -0.994 395 HB3 GLN 55 1HB GLN 55 9.279 3.185 0.505 396 HG2 GLN 55 2HG GLN 55 8.499 1.145 1.606 397 HG3 GLN 55 1HG GLN 55 7.780 0.615 0.082 398 HE21 GLN 55 1HE2 GLN 55 9.085 -0.129 -1.555 399 HE22 GLN 55 2HE2 GLN 55 10.762 -0.484 -1.332 400 H LYS 56 H LYS 56 5.573 3.805 -1.398 401 HA LYS 56 HA LYS 56 6.751 6.366 -2.115 402 HB2 LYS 56 2HB LYS 56 4.402 4.925 -3.359 403 HB3 LYS 56 1HB LYS 56 5.286 6.279 -4.048 404 HG2 LYS 56 2HG LYS 56 7.286 4.889 -4.223 405 HG3 LYS 56 1HG LYS 56 6.402 3.532 -3.522 406 HD2 LYS 56 2HD LYS 56 6.280 3.115 -5.805 407 HD3 LYS 56 1HD LYS 56 4.740 3.907 -5.463 408 HE2 LYS 56 2HE LYS 56 5.610 4.887 -7.449 409 HE3 LYS 56 1HE LYS 56 5.807 6.067 -6.153 410 HZ1 LYS 56 3HZ LYS 56 7.927 4.276 -7.214 411 HZ2 LYS 56 1HZ LYS 56 8.122 5.377 -5.944 412 HZ3 LYS 56 2HZ LYS 56 7.792 5.937 -7.504 413 H PHE 57 H PHE 57 4.241 5.136 -0.210 414 HA PHE 57 HA PHE 57 3.156 7.833 0.166 415 HB2 PHE 57 2HB PHE 57 1.637 5.332 -0.478 416 HB3 PHE 57 1HB PHE 57 0.878 6.629 0.441 417 HD1 PHE 57 2HD PHE 57 0.464 8.803 -0.585 418 HD2 PHE 57 1HD PHE 57 2.103 5.567 -2.810 419 HE1 PHE 57 2HE PHE 57 -0.071 9.977 -2.679 420 HE2 PHE 57 1HE PHE 57 1.571 6.737 -4.907 421 HZ PHE 57 HZ PHE 57 0.481 8.943 -4.843 422 HA PRO 58 HA PRO 58 4.426 5.532 4.136 423 HB2 PRO 58 2HB PRO 58 5.431 7.921 5.176 424 HB3 PRO 58 1HB PRO 58 6.393 6.630 4.451 425 HG2 PRO 58 2HG PRO 58 5.381 9.162 3.224 426 HG3 PRO 58 1HG PRO 58 6.949 8.356 3.007 427 HD2 PRO 58 2HD PRO 58 5.074 8.165 1.132 428 HD3 PRO 58 1HD PRO 58 6.055 6.749 1.564 429 H GLY 59 H GLY 59 3.153 8.820 3.622 430 HA2 GLY 59 2HA GLY 59 1.817 9.110 6.059 431 HA3 GLY 59 1HA GLY 59 1.364 9.915 4.560 432 H VAL 60 H VAL 60 0.734 7.683 3.015 433 HA VAL 60 HA VAL 60 -1.934 7.174 3.802 434 HB VAL 60 HB VAL 60 -0.148 6.045 1.658 435 HG11 VAL 60 1HG1 VAL 60 -1.574 4.190 2.364 436 HG12 VAL 60 2HG1 VAL 60 -2.054 4.781 0.774 437 HG13 VAL 60 3HG1 VAL 60 -3.002 5.212 2.197 438 HG21 VAL 60 3HG2 VAL 60 -1.000 8.258 1.269 439 HG22 VAL 60 1HG2 VAL 60 -2.645 7.737 1.643 440 HG23 VAL 60 2HG2 VAL 60 -1.833 7.133 0.197 441 H SER 61 H SER 61 -2.899 5.303 4.624 442 HA SER 61 HA SER 61 -1.148 3.683 6.262 443 HB2 SER 61 2HB SER 61 -3.266 4.519 7.187 444 HB3 SER 61 1HB SER 61 -4.156 3.607 5.972 445 HG SER 61 HG SER 61 -2.333 2.290 7.651 446 H PHE 62 H PHE 62 -0.036 2.273 5.050 447 HA PHE 62 HA PHE 62 -1.029 0.845 2.839 448 HB2 PHE 62 2HB PHE 62 0.980 -0.711 3.433 449 HB3 PHE 62 1HB PHE 62 1.290 0.943 2.909 450 HD1 PHE 62 1HD PHE 62 1.242 -1.323 5.809 451 HD2 PHE 62 2HD PHE 62 2.221 2.567 4.389 452 HE1 PHE 62 1HE PHE 62 2.510 -0.895 7.870 453 HE2 PHE 62 2HE PHE 62 3.492 3.001 6.449 454 HZ PHE 62 HZ PHE 62 3.639 1.268 8.193 455 H GLY 63 H GLY 63 -2.229 -0.928 2.684 456 HA2 GLY 63 2HA GLY 63 -2.354 -2.802 4.923 457 HA3 GLY 63 1HA GLY 63 -3.860 -2.040 4.425 458 H ILE 64 H ILE 64 -3.464 -4.802 4.381 459 HA ILE 64 HA ILE 64 -4.141 -5.350 1.651 460 HB ILE 64 HB ILE 64 -1.512 -5.413 1.951 461 HG12 ILE 64 2HG1 ILE 64 -3.058 -7.538 0.462 462 HG13 ILE 64 1HG1 ILE 64 -2.735 -5.910 -0.115 463 HG21 ILE 64 1HG2 ILE 64 -0.669 -7.647 2.428 464 HG22 ILE 64 2HG2 ILE 64 -2.301 -8.190 2.808 465 HG23 ILE 64 3HG2 ILE 64 -1.518 -6.982 3.822 466 HD11 ILE 64 3HD1 ILE 64 -0.330 -6.402 -0.089 467 HD12 ILE 64 1HD1 ILE 64 -1.232 -7.475 -1.159 468 HD13 ILE 64 2HD1 ILE 64 -0.692 -8.055 0.415 469 H SER 65 H SER 65 -5.260 -7.299 1.435 470 HA SER 65 HA SER 65 -5.399 -9.079 3.732 471 HB2 SER 65 2HB SER 65 -7.070 -7.433 4.338 472 HB3 SER 65 1HB SER 65 -7.808 -7.545 2.742 473 HG SER 65 HG SER 65 -8.251 -9.773 3.249 474 H THR 66 H THR 66 -6.614 -11.024 3.334 475 HA THR 66 HA THR 66 -7.183 -11.616 0.525 476 HB THR 66 HB THR 66 -5.995 -13.774 0.677 477 HG1 THR 66 1HG THR 66 -4.415 -13.073 2.797 478 HG21 THR 66 3HG2 THR 66 -4.159 -11.466 1.296 479 HG22 THR 66 1HG2 THR 66 -4.906 -11.747 -0.276 480 HG23 THR 66 2HG2 THR 66 -3.772 -12.925 0.385 481 H ASP 67 H ASP 67 -8.155 -11.614 3.647 482 HA ASP 67 HA ASP 67 -9.448 -14.125 3.904 483 HB2 ASP 67 2HB ASP 67 -8.910 -12.655 5.826 484 HB3 ASP 67 1HB ASP 67 -10.118 -11.505 5.263 485 H SER 68 H SER 68 -11.480 -14.772 3.401 486 HA SER 68 HA SER 68 -12.783 -13.585 1.221 487 HB2 SER 68 2HB SER 68 -13.828 -15.612 3.211 488 HB3 SER 68 1HB SER 68 -14.586 -15.226 1.667 489 HG SER 68 HG SER 68 -12.771 -17.022 2.068 490 H GLU 69 H GLU 69 -13.747 -13.690 4.656 491 HA GLU 69 HA GLU 69 -16.132 -12.344 4.531 492 HB2 GLU 69 2HB GLU 69 -14.053 -11.980 6.686 493 HB3 GLU 69 1HB GLU 69 -15.781 -11.686 6.835 494 HG2 GLU 69 2HG GLU 69 -16.220 -14.058 6.473 495 HG3 GLU 69 1HG GLU 69 -14.489 -14.356 6.321 496 H VAL 70 H VAL 70 -12.894 -10.897 4.680 497 HA VAL 70 HA VAL 70 -13.865 -8.226 4.744 498 HB VAL 70 HB VAL 70 -11.149 -9.320 4.010 499 HG11 VAL 70 1HG1 VAL 70 -10.346 -6.990 4.304 500 HG12 VAL 70 2HG1 VAL 70 -12.028 -6.461 4.370 501 HG13 VAL 70 3HG1 VAL 70 -11.394 -7.203 2.900 502 HG21 VAL 70 3HG2 VAL 70 -10.514 -8.380 6.217 503 HG22 VAL 70 1HG2 VAL 70 -11.692 -9.689 6.323 504 HG23 VAL 70 2HG2 VAL 70 -12.214 -8.015 6.505 505 H LEU 71 H LEU 71 -12.327 -10.133 2.162 506 HA LEU 71 HA LEU 71 -12.659 -8.276 0.109 507 HB2 LEU 71 2HB LEU 71 -12.298 -11.237 0.207 508 HB3 LEU 71 1HB LEU 71 -12.718 -10.488 -1.322 509 HG LEU 71 HG LEU 71 -10.715 -9.220 -1.372 510 HD11 LEU 71 1HD1 LEU 71 -9.076 -9.264 0.475 511 HD12 LEU 71 2HD1 LEU 71 -10.256 -10.128 1.462 512 HD13 LEU 71 3HD1 LEU 71 -10.599 -8.486 0.911 513 HD21 LEU 71 3HD2 LEU 71 -10.107 -11.995 -0.365 514 HD22 LEU 71 1HD2 LEU 71 -8.979 -10.950 -1.231 515 HD23 LEU 71 2HD2 LEU 71 -10.436 -11.533 -2.035 516 H THR 72 H THR 72 -14.964 -10.085 1.792 517 HA THR 72 HA THR 72 -16.962 -10.014 -0.326 518 HB THR 72 HB THR 72 -17.149 -10.972 2.541 519 HG1 THR 72 1HG THR 72 -16.007 -12.121 0.534 520 HG21 THR 72 3HG2 THR 72 -19.289 -12.021 1.748 521 HG22 THR 72 1HG2 THR 72 -19.146 -11.059 0.276 522 HG23 THR 72 2HG2 THR 72 -19.330 -10.258 1.837 523 H HIS 73 H HIS 73 -16.275 -8.562 2.812 524 HA HIS 73 HA HIS 73 -18.608 -7.051 3.104 525 HB2 HIS 73 2HB HIS 73 -16.994 -7.402 4.923 526 HB3 HIS 73 1HB HIS 73 -15.806 -6.427 4.067 527 HD1 HIS 73 1HD HIS 73 -18.922 -6.162 6.110 528 HD2 HIS 73 2HD HIS 73 -16.205 -3.659 4.210 529 HE1 HIS 73 1HE HIS 73 -19.422 -3.853 6.968 530 HE2 HIS 73 2HE HIS 73 -17.827 -2.342 5.734 531 H TYR 74 H TYR 74 -15.561 -6.348 1.459 532 HA TYR 74 HA TYR 74 -16.586 -3.751 0.602 533 HB2 TYR 74 2HB TYR 74 -13.889 -5.064 0.241 534 HB3 TYR 74 1HB TYR 74 -14.306 -3.478 -0.402 535 HD1 TYR 74 1HD TYR 74 -14.688 -1.586 1.126 536 HD2 TYR 74 2HD TYR 74 -13.430 -5.382 2.576 537 HE1 TYR 74 1HE TYR 74 -14.046 -0.550 3.262 538 HE2 TYR 74 2HE TYR 74 -12.786 -4.357 4.717 539 HH TYR 74 HH TYR 74 -12.157 -2.145 5.586 540 H ASN 75 H ASN 75 -17.399 -6.573 -0.336 541 HA ASN 75 HA ASN 75 -18.096 -7.579 -2.251 542 HB2 ASN 75 2HB ASN 75 -18.132 -4.699 -3.155 543 HB3 ASN 75 1HB ASN 75 -18.867 -6.029 -4.051 544 HD21 ASN 75 1HD2 ASN 75 -20.709 -7.029 -3.229 545 HD22 ASN 75 2HD2 ASN 75 -21.674 -6.299 -1.996 546 H ILE 76 H ILE 76 -15.171 -7.111 -1.870 547 HA ILE 76 HA ILE 76 -13.890 -6.541 -4.297 548 HB ILE 76 HB ILE 76 -12.944 -8.483 -2.186 549 HG12 ILE 76 2HG1 ILE 76 -13.546 -6.356 -1.160 550 HG13 ILE 76 1HG1 ILE 76 -11.801 -6.550 -1.176 551 HG21 ILE 76 1HG2 ILE 76 -11.537 -6.966 -4.358 552 HG22 ILE 76 2HG2 ILE 76 -11.577 -8.706 -4.089 553 HG23 ILE 76 3HG2 ILE 76 -10.689 -7.662 -2.979 554 HD11 ILE 76 3HD1 ILE 76 -11.602 -5.020 -3.020 555 HD12 ILE 76 1HD1 ILE 76 -12.537 -4.268 -1.731 556 HD13 ILE 76 2HD1 ILE 76 -13.356 -4.904 -3.157 557 H THR 77 H THR 77 -13.922 -7.586 -6.177 558 HA THR 77 HA THR 77 -14.118 -10.506 -6.197 559 HB THR 77 HB THR 77 -15.750 -10.411 -8.081 560 HG1 THR 77 1HG THR 77 -16.848 -8.454 -8.427 561 HG21 THR 77 3HG2 THR 77 -16.520 -10.912 -5.827 562 HG22 THR 77 1HG2 THR 77 -17.719 -9.948 -6.686 563 HG23 THR 77 2HG2 THR 77 -16.679 -9.190 -5.479 564 H GLY 78 H GLY 78 -11.747 -9.524 -6.599 565 HA2 GLY 78 2HA GLY 78 -10.738 -10.433 -8.907 566 HA3 GLY 78 1HA GLY 78 -11.310 -8.844 -9.393 567 H ASN 79 H ASN 79 -9.778 -9.891 -6.362 568 HA ASN 79 HA ASN 79 -7.993 -9.052 -5.221 569 HB2 ASN 79 2HB ASN 79 -6.848 -8.803 -8.009 570 HB3 ASN 79 1HB ASN 79 -5.927 -8.862 -6.510 571 HD21 ASN 79 1HD2 ASN 79 -5.642 -10.803 -5.465 572 HD22 ASN 79 2HD2 ASN 79 -6.038 -12.322 -6.186 573 H THR 80 H THR 80 -9.951 -7.213 -5.606 574 HA THR 80 HA THR 80 -9.121 -4.781 -6.799 575 HB THR 80 HB THR 80 -11.221 -5.321 -4.686 576 HG1 THR 80 1HG THR 80 -11.352 -6.311 -6.894 577 HG21 THR 80 3HG2 THR 80 -10.559 -2.941 -4.768 578 HG22 THR 80 1HG2 THR 80 -12.216 -3.203 -5.311 579 HG23 THR 80 2HG2 THR 80 -10.938 -2.920 -6.488 580 H ILE 81 H ILE 81 -8.552 -2.821 -5.813 581 HA ILE 81 HA ILE 81 -7.356 -3.008 -3.119 582 HB ILE 81 HB ILE 81 -6.439 -1.375 -5.497 583 HG12 ILE 81 2HG1 ILE 81 -5.083 -3.566 -3.910 584 HG13 ILE 81 1HG1 ILE 81 -5.744 -3.732 -5.533 585 HG21 ILE 81 1HG2 ILE 81 -5.375 -1.359 -2.674 586 HG22 ILE 81 2HG2 ILE 81 -6.281 -0.057 -3.445 587 HG23 ILE 81 3HG2 ILE 81 -4.683 -0.495 -4.046 588 HD11 ILE 81 3HD1 ILE 81 -4.116 -2.015 -6.293 589 HD12 ILE 81 1HD1 ILE 81 -3.382 -3.503 -5.694 590 HD13 ILE 81 2HD1 ILE 81 -3.399 -2.060 -4.680 591 H CYS 82 H CYS 82 -8.480 -1.815 -1.684 592 HA CYS 82 HA CYS 82 -10.069 0.409 -2.748 593 HB2 CYS 82 2HB CYS 82 -10.427 -1.207 -0.234 594 HB3 CYS 82 1HB CYS 82 -11.418 0.181 -0.668 595 HG CYS 82 HG CYS 82 -12.968 -0.998 -2.394 596 H LEU 83 H LEU 83 -9.774 2.432 -2.130 597 HA LEU 83 HA LEU 83 -7.807 2.985 -0.021 598 HB2 LEU 83 2HB LEU 83 -6.994 4.008 -1.931 599 HB3 LEU 83 1HB LEU 83 -8.590 4.387 -2.540 600 HG LEU 83 HG LEU 83 -8.814 6.238 -1.022 601 HD11 LEU 83 1HD1 LEU 83 -6.068 5.719 0.071 602 HD12 LEU 83 2HD1 LEU 83 -7.518 5.086 0.848 603 HD13 LEU 83 3HD1 LEU 83 -7.306 6.828 0.667 604 HD21 LEU 83 3HD2 LEU 83 -6.180 6.147 -2.466 605 HD22 LEU 83 1HD2 LEU 83 -6.824 7.611 -1.723 606 HD23 LEU 83 2HD2 LEU 83 -7.711 6.823 -3.027 607 H PHE 84 H PHE 84 -8.923 3.223 1.851 608 HA PHE 84 HA PHE 84 -11.424 4.730 1.818 609 HB2 PHE 84 2HB PHE 84 -10.939 2.450 3.077 610 HB3 PHE 84 1HB PHE 84 -10.333 3.537 4.325 611 HD1 PHE 84 1HD PHE 84 -11.886 5.331 5.205 612 HD2 PHE 84 2HD PHE 84 -13.223 2.078 2.810 613 HE1 PHE 84 1HE PHE 84 -14.189 5.707 5.986 614 HE2 PHE 84 2HE PHE 84 -15.528 2.446 3.588 615 HZ PHE 84 HZ PHE 84 -16.013 4.263 5.177 616 H ARG 85 H ARG 85 -11.432 6.823 2.271 617 HA ARG 85 HA ARG 85 -9.131 7.957 3.716 618 HB2 ARG 85 2HB ARG 85 -11.047 9.799 2.429 619 HB3 ARG 85 1HB ARG 85 -9.290 9.825 2.448 620 HG2 ARG 85 2HG ARG 85 -9.230 8.087 0.743 621 HG3 ARG 85 1HG ARG 85 -11.002 8.050 0.723 622 HD2 ARG 85 2HD ARG 85 -9.201 10.332 -0.081 623 HD3 ARG 85 1HD ARG 85 -10.266 9.386 -1.122 624 HE ARG 85 HE ARG 85 -11.784 10.615 0.906 625 HH11 ARG 85 1HH1 ARG 85 -10.003 11.391 -1.989 626 HH12 ARG 85 2HH1 ARG 85 -10.950 12.794 -2.351 627 HH21 ARG 85 1HH2 ARG 85 -13.037 12.464 0.434 628 HH22 ARG 85 2HH2 ARG 85 -12.673 13.405 -0.973 629 H LEU 86 H LEU 86 -9.945 7.320 5.754 630 HA LEU 86 HA LEU 86 -12.169 7.454 7.095 631 HB2 LEU 86 2HB LEU 86 -10.367 7.075 8.450 632 HB3 LEU 86 1HB LEU 86 -9.471 8.448 7.835 633 HG LEU 86 HG LEU 86 -11.003 9.947 9.123 634 HD11 LEU 86 1HD1 LEU 86 -12.340 8.957 10.920 635 HD12 LEU 86 2HD1 LEU 86 -11.948 7.345 10.321 636 HD13 LEU 86 3HD1 LEU 86 -12.905 8.446 9.331 637 HD21 LEU 86 3HD2 LEU 86 -8.834 9.442 10.006 638 HD22 LEU 86 1HD2 LEU 86 -9.402 7.897 10.642 639 HD23 LEU 86 2HD2 LEU 86 -10.002 9.406 11.328 640 H VAL 87 H VAL 87 -10.353 10.504 6.727 641 HA VAL 87 HA VAL 87 -11.976 12.297 7.883 642 HB VAL 87 HB VAL 87 -11.419 13.739 5.666 643 HG11 VAL 87 1HG1 VAL 87 -9.508 12.991 7.875 644 HG12 VAL 87 2HG1 VAL 87 -10.714 14.276 7.924 645 HG13 VAL 87 3HG1 VAL 87 -9.347 14.391 6.816 646 HG21 VAL 87 3HG2 VAL 87 -10.516 11.901 4.412 647 HG22 VAL 87 1HG2 VAL 87 -9.443 11.466 5.747 648 HG23 VAL 87 2HG2 VAL 87 -9.193 12.976 4.866 649 H ASP 88 H ASP 88 -12.331 11.618 4.398 650 HA ASP 88 HA ASP 88 -15.056 12.626 4.538 651 HB2 ASP 88 2HB ASP 88 -13.218 11.960 2.245 652 HB3 ASP 88 1HB ASP 88 -14.924 12.342 2.003 653 H ASN 89 H ASN 89 -13.687 9.800 5.159 654 HA ASN 89 HA ASN 89 -14.275 7.607 5.111 655 HB2 ASN 89 2HB ASN 89 -16.110 8.678 6.428 656 HB3 ASN 89 1HB ASN 89 -17.085 8.691 4.965 657 HD21 ASN 89 1HD2 ASN 89 -15.663 6.749 7.454 658 HD22 ASN 89 2HD2 ASN 89 -16.541 5.299 7.117 659 H GLU 90 H GLU 90 -13.670 8.681 2.544 660 HA GLU 90 HA GLU 90 -15.615 7.620 0.684 661 HB2 GLU 90 2HB GLU 90 -12.817 8.593 0.100 662 HB3 GLU 90 1HB GLU 90 -14.132 8.393 -1.050 663 HG2 GLU 90 2HG GLU 90 -14.178 10.319 1.246 664 HG3 GLU 90 1HG GLU 90 -13.679 10.738 -0.391 665 H GLN 91 H GLN 91 -15.092 5.973 -0.893 666 HA GLN 91 HA GLN 91 -12.952 4.136 -0.098 667 HB2 GLN 91 2HB GLN 91 -15.124 3.407 0.920 668 HB3 GLN 91 1HB GLN 91 -15.764 3.221 -0.706 669 HG2 GLN 91 2HG GLN 91 -13.252 1.810 0.047 670 HG3 GLN 91 1HG GLN 91 -14.804 1.173 0.587 671 HE21 GLN 91 1HE2 GLN 91 -16.278 0.412 -0.944 672 HE22 GLN 91 2HE2 GLN 91 -15.796 0.011 -2.554 673 H LEU 92 H LEU 92 -11.731 4.541 -1.881 674 HA LEU 92 HA LEU 92 -12.895 4.485 -4.529 675 HB2 LEU 92 2HB LEU 92 -10.011 4.696 -3.660 676 HB3 LEU 92 1HB LEU 92 -10.588 4.876 -5.303 677 HG LEU 92 HG LEU 92 -10.165 7.059 -4.473 678 HD11 LEU 92 1HD1 LEU 92 -12.366 8.119 -4.540 679 HD12 LEU 92 2HD1 LEU 92 -13.128 6.541 -4.337 680 HD13 LEU 92 3HD1 LEU 92 -12.191 6.887 -5.790 681 HD21 LEU 92 3HD2 LEU 92 -11.976 6.528 -2.132 682 HD22 LEU 92 1HD2 LEU 92 -10.965 7.942 -2.423 683 HD23 LEU 92 2HD2 LEU 92 -10.220 6.386 -2.060 684 H ASN 93 H ASN 93 -13.366 2.563 -5.413 685 HA ASN 93 HA ASN 93 -11.814 0.236 -4.608 686 HB2 ASN 93 2HB ASN 93 -13.617 -0.914 -6.135 687 HB3 ASN 93 1HB ASN 93 -14.045 -0.356 -4.523 688 HD21 ASN 93 1HD2 ASN 93 -15.340 1.466 -4.293 689 HD22 ASN 93 2HD2 ASN 93 -16.254 2.116 -5.607 690 H LEU 94 H LEU 94 -10.118 -0.315 -5.702 691 HA LEU 94 HA LEU 94 -9.937 0.248 -8.579 692 HB2 LEU 94 2HB LEU 94 -8.136 0.942 -6.815 693 HB3 LEU 94 1HB LEU 94 -7.688 -0.751 -6.845 694 HG LEU 94 HG LEU 94 -7.839 0.590 -9.473 695 HD11 LEU 94 1HD1 LEU 94 -5.674 1.197 -7.461 696 HD12 LEU 94 2HD1 LEU 94 -6.807 2.351 -8.167 697 HD13 LEU 94 3HD1 LEU 94 -5.596 1.569 -9.183 698 HD21 LEU 94 3HD2 LEU 94 -5.793 -1.220 -8.194 699 HD22 LEU 94 1HD2 LEU 94 -5.919 -0.805 -9.903 700 HD23 LEU 94 2HD2 LEU 94 -7.178 -1.771 -9.137 701 H GLU 95 H GLU 95 -11.440 -1.490 -8.971 702 HA GLU 95 HA GLU 95 -10.805 -4.166 -8.161 703 HB2 GLU 95 2HB GLU 95 -12.869 -3.258 -10.156 704 HB3 GLU 95 1HB GLU 95 -12.808 -4.804 -9.320 705 HG2 GLU 95 2HG GLU 95 -13.290 -3.783 -7.230 706 HG3 GLU 95 1HG GLU 95 -13.117 -2.167 -7.914 707 H ASP 96 H ASP 96 -11.560 -5.655 -10.327 708 HA ASP 96 HA ASP 96 -9.190 -6.247 -11.583 709 HB2 ASP 96 2HB ASP 96 -11.025 -7.811 -11.553 710 HB3 ASP 96 1HB ASP 96 -12.010 -6.739 -12.542 711 H GLU 97 H GLU 97 -11.725 -4.050 -12.708 712 HA GLU 97 HA GLU 97 -10.827 -3.610 -15.300 713 HB2 GLU 97 2HB GLU 97 -12.092 -1.635 -13.387 714 HB3 GLU 97 1HB GLU 97 -11.942 -1.399 -15.123 715 HG2 GLU 97 2HG GLU 97 -13.347 -3.365 -15.509 716 HG3 GLU 97 1HG GLU 97 -13.503 -3.587 -13.767 717 H ASP 98 H ASP 98 -9.319 -2.905 -12.378 718 HA ASP 98 HA ASP 98 -7.318 -1.240 -13.732 719 HB2 ASP 98 2HB ASP 98 -8.404 -0.867 -10.928 720 HB3 ASP 98 1HB ASP 98 -7.024 0.007 -11.598 721 H ILE 99 H ILE 99 -7.978 -4.001 -11.870 722 HA ILE 99 HA ILE 99 -5.310 -4.194 -10.719 723 HB ILE 99 HB ILE 99 -7.728 -5.989 -10.517 724 HG12 ILE 99 2HG1 ILE 99 -7.727 -3.808 -9.303 725 HG13 ILE 99 1HG1 ILE 99 -7.884 -5.220 -8.267 726 HG21 ILE 99 1HG2 ILE 99 -4.980 -6.349 -9.343 727 HG22 ILE 99 2HG2 ILE 99 -5.856 -7.457 -10.400 728 HG23 ILE 99 3HG2 ILE 99 -6.415 -7.183 -8.747 729 HD11 ILE 99 3HD1 ILE 99 -5.477 -5.039 -7.742 730 HD12 ILE 99 1HD1 ILE 99 -6.417 -3.632 -7.245 731 HD13 ILE 99 2HD1 ILE 99 -5.417 -3.555 -8.696 732 H GLU 100 H GLU 100 -7.252 -5.652 -13.260 733 HA GLU 100 HA GLU 100 -5.739 -7.873 -13.900 734 HB2 GLU 100 2HB GLU 100 -7.904 -7.331 -14.941 735 HB3 GLU 100 1HB GLU 100 -7.148 -6.007 -15.817 736 HG2 GLU 100 2HG GLU 100 -7.413 -7.884 -17.282 737 HG3 GLU 100 1HG GLU 100 -5.697 -7.630 -16.966 738 H SER 101 H SER 101 -5.294 -4.519 -14.934 739 HA SER 101 HA SER 101 -2.593 -5.240 -15.862 740 HB2 SER 101 2HB SER 101 -4.431 -3.113 -16.993 741 HB3 SER 101 1HB SER 101 -2.774 -3.410 -17.517 742 HG SER 101 HG SER 101 -3.721 -5.699 -17.793 743 H ILE 102 H ILE 102 -3.162 -4.546 -13.217 744 HA ILE 102 HA ILE 102 -2.811 -1.799 -12.673 745 HB ILE 102 HB ILE 102 -3.727 -3.356 -11.013 746 HG12 ILE 102 2HG1 ILE 102 -2.270 -2.581 -9.067 747 HG13 ILE 102 1HG1 ILE 102 -1.219 -1.847 -10.270 748 HG21 ILE 102 1HG2 ILE 102 -2.133 -4.798 -9.739 749 HG22 ILE 102 2HG2 ILE 102 -0.919 -4.465 -10.975 750 HG23 ILE 102 3HG2 ILE 102 -2.405 -5.315 -11.402 751 HD11 ILE 102 3HD1 ILE 102 -2.815 -0.269 -9.251 752 HD12 ILE 102 1HD1 ILE 102 -4.135 -1.204 -9.952 753 HD13 ILE 102 2HD1 ILE 102 -2.974 -0.395 -11.002 754 H ASP 103 H ASP 103 -1.033 -0.617 -12.160 755 HA ASP 103 HA ASP 103 1.600 -1.889 -12.294 756 HB2 ASP 103 2HB ASP 103 0.837 0.601 -13.836 757 HB3 ASP 103 1HB ASP 103 2.460 -0.072 -13.714 758 H ALA 104 H ALA 104 3.218 -0.783 -11.084 759 HA ALA 104 HA ALA 104 2.441 0.354 -8.717 760 HB1 ALA 104 1HB ALA 104 5.010 0.870 -10.198 761 HB2 ALA 104 2HB ALA 104 4.684 -0.448 -9.070 762 HB3 ALA 104 3HB ALA 104 4.723 1.218 -8.492 763 H THR 105 H THR 105 3.035 1.947 -11.783 764 HA THR 105 HA THR 105 2.898 4.616 -10.913 765 HB THR 105 HB THR 105 2.068 3.448 -13.577 766 HG1 THR 105 1HG THR 105 4.381 4.853 -13.548 767 HG21 THR 105 3HG2 THR 105 2.592 6.283 -12.710 768 HG22 THR 105 1HG2 THR 105 1.089 5.612 -13.347 769 HG23 THR 105 2HG2 THR 105 2.500 5.768 -14.397 770 H LYS 106 H LYS 106 0.398 2.451 -12.208 771 HA LYS 106 HA LYS 106 -1.760 4.207 -12.078 772 HB2 LYS 106 2HB LYS 106 -1.754 1.200 -11.733 773 HB3 LYS 106 1HB LYS 106 -3.172 2.180 -12.082 774 HG2 LYS 106 2HG LYS 106 -2.271 2.817 -14.220 775 HG3 LYS 106 1HG LYS 106 -0.759 1.976 -13.869 776 HD2 LYS 106 2HD LYS 106 -2.039 0.544 -15.281 777 HD3 LYS 106 1HD LYS 106 -2.111 -0.139 -13.657 778 HE2 LYS 106 2HE LYS 106 -4.306 0.904 -13.325 779 HE3 LYS 106 1HE LYS 106 -4.233 1.563 -14.959 780 HZ1 LYS 106 3HZ LYS 106 -4.246 -1.322 -14.253 781 HZ2 LYS 106 1HZ LYS 106 -4.170 -0.695 -15.824 782 HZ3 LYS 106 2HZ LYS 106 -5.554 -0.452 -14.882 783 H LEU 107 H LEU 107 -0.994 1.615 -9.722 784 HA LEU 107 HA LEU 107 -2.863 2.224 -7.804 785 HB2 LEU 107 2HB LEU 107 -0.700 0.526 -7.959 786 HB3 LEU 107 1HB LEU 107 -0.232 1.603 -6.662 787 HG LEU 107 HG LEU 107 -2.464 -0.380 -6.759 788 HD11 LEU 107 1HD1 LEU 107 -0.495 -1.148 -5.712 789 HD12 LEU 107 2HD1 LEU 107 -1.609 -0.747 -4.409 790 HD13 LEU 107 3HD1 LEU 107 -0.290 0.356 -4.816 791 HD21 LEU 107 3HD2 LEU 107 -3.644 1.641 -6.181 792 HD22 LEU 107 1HD2 LEU 107 -2.415 2.061 -4.988 793 HD23 LEU 107 2HD2 LEU 107 -3.446 0.654 -4.734 794 H SER 108 H SER 108 0.491 3.430 -7.880 795 HA SER 108 HA SER 108 0.275 5.205 -5.735 796 HB2 SER 108 2HB SER 108 2.055 5.374 -8.177 797 HB3 SER 108 1HB SER 108 2.280 6.297 -6.691 798 HG SER 108 HG SER 108 3.339 4.035 -7.147 799 H ARG 109 H ARG 109 -0.669 5.524 -9.072 800 HA ARG 109 HA ARG 109 -0.976 8.343 -9.081 801 HB2 ARG 109 2HB ARG 109 -0.721 6.918 -11.125 802 HB3 ARG 109 1HB ARG 109 -2.336 6.298 -10.844 803 HG2 ARG 109 2HG ARG 109 -1.858 9.235 -11.145 804 HG3 ARG 109 1HG ARG 109 -2.006 8.186 -12.556 805 HD2 ARG 109 2HD ARG 109 -4.175 7.362 -11.471 806 HD3 ARG 109 1HD ARG 109 -4.042 8.782 -10.429 807 HE ARG 109 HE ARG 109 -3.784 9.763 -12.967 808 HH11 ARG 109 1HH1 ARG 109 -6.180 7.868 -11.289 809 HH12 ARG 109 2HH1 ARG 109 -7.499 8.453 -12.247 810 HH21 ARG 109 1HH2 ARG 109 -5.513 10.532 -14.236 811 HH22 ARG 109 2HH2 ARG 109 -7.119 9.964 -13.925 812 H PHE 110 H PHE 110 -3.463 5.803 -9.250 813 HA PHE 110 HA PHE 110 -5.702 7.249 -8.738 814 HB2 PHE 110 2HB PHE 110 -4.919 4.461 -7.944 815 HB3 PHE 110 1HB PHE 110 -6.463 5.124 -7.405 816 HD1 PHE 110 1HD PHE 110 -8.227 5.622 -8.995 817 HD2 PHE 110 2HD PHE 110 -4.530 3.939 -10.261 818 HE1 PHE 110 1HE PHE 110 -9.242 5.030 -11.158 819 HE2 PHE 110 2HE PHE 110 -5.535 3.342 -12.426 820 HZ PHE 110 HZ PHE 110 -7.895 3.891 -12.877 821 H ILE 111 H ILE 111 -3.435 5.973 -6.327 822 HA ILE 111 HA ILE 111 -4.789 6.933 -4.054 823 HB ILE 111 HB ILE 111 -1.836 6.438 -4.481 824 HG12 ILE 111 2HG1 ILE 111 -3.889 4.770 -3.019 825 HG13 ILE 111 1HG1 ILE 111 -3.418 4.495 -4.688 826 HG21 ILE 111 1HG2 ILE 111 -3.349 6.911 -1.919 827 HG22 ILE 111 2HG2 ILE 111 -2.162 7.997 -2.647 828 HG23 ILE 111 3HG2 ILE 111 -1.661 6.418 -2.038 829 HD11 ILE 111 3HD1 ILE 111 -2.245 2.976 -3.242 830 HD12 ILE 111 1HD1 ILE 111 -1.634 4.320 -2.277 831 HD13 ILE 111 2HD1 ILE 111 -1.104 4.121 -3.946 832 H GLU 112 H GLU 112 -2.008 8.299 -5.816 833 HA GLU 112 HA GLU 112 -1.792 10.697 -4.452 834 HB2 GLU 112 2HB GLU 112 -0.215 9.796 -6.200 835 HB3 GLU 112 1HB GLU 112 -1.362 10.339 -7.421 836 HG2 GLU 112 2HG GLU 112 -1.089 12.638 -6.672 837 HG3 GLU 112 1HG GLU 112 0.030 12.109 -5.417 838 H ILE 113 H ILE 113 -4.230 9.594 -6.539 839 HA ILE 113 HA ILE 113 -5.194 12.225 -7.267 840 HB ILE 113 HB ILE 113 -5.659 9.476 -8.155 841 HG12 ILE 113 2HG1 ILE 113 -5.944 10.579 -10.316 842 HG13 ILE 113 1HG1 ILE 113 -5.998 12.150 -9.521 843 HG21 ILE 113 1HG2 ILE 113 -7.862 9.753 -7.318 844 HG22 ILE 113 2HG2 ILE 113 -7.919 9.959 -9.067 845 HG23 ILE 113 3HG2 ILE 113 -7.986 11.370 -8.011 846 HD11 ILE 113 3HD1 ILE 113 -3.639 10.285 -9.502 847 HD12 ILE 113 1HD1 ILE 113 -3.702 11.910 -8.821 848 HD13 ILE 113 2HD1 ILE 113 -3.830 11.680 -10.565 849 H ASN 114 H ASN 114 -6.103 9.571 -5.103 850 HA ASN 114 HA ASN 114 -8.166 11.354 -3.982 851 HB2 ASN 114 2HB ASN 114 -8.297 8.356 -4.313 852 HB3 ASN 114 1HB ASN 114 -9.454 9.305 -3.380 853 HD21 ASN 114 1HD2 ASN 114 -9.668 7.660 -5.879 854 HD22 ASN 114 2HD2 ASN 114 -10.436 8.705 -7.020 855 H SER 115 H SER 115 -5.357 10.987 -3.148 856 HA SER 115 HA SER 115 -5.502 9.549 -0.648 857 HB2 SER 115 2HB SER 115 -3.190 10.279 -0.325 858 HB3 SER 115 1HB SER 115 -3.400 9.649 -1.961 859 HG SER 115 HG SER 115 -3.900 12.109 -2.292 860 H LEU 116 H LEU 116 -7.491 11.413 -0.729 861 HA LEU 116 HA LEU 116 -6.602 13.715 0.823 862 HB2 LEU 116 2HB LEU 116 -9.359 13.073 -0.204 863 HB3 LEU 116 1HB LEU 116 -8.808 14.607 0.447 864 HG LEU 116 HG LEU 116 -7.958 13.338 -2.154 865 HD11 LEU 116 1HD1 LEU 116 -9.487 15.870 -1.566 866 HD12 LEU 116 2HD1 LEU 116 -10.172 14.372 -2.195 867 HD13 LEU 116 3HD1 LEU 116 -9.017 15.288 -3.163 868 HD21 LEU 116 3HD2 LEU 116 -6.990 15.862 -0.816 869 HD22 LEU 116 1HD2 LEU 116 -6.683 15.442 -2.502 870 HD23 LEU 116 2HD2 LEU 116 -6.038 14.431 -1.209 Start of MODEL 22 1 H GLU 1 H GLU 1 14.670 -15.279 2.454 2 HA GLU 1 HA GLU 1 15.427 -12.548 2.393 3 HB2 GLU 1 2HB GLU 1 15.032 -12.712 -0.029 4 HB3 GLU 1 1HB GLU 1 13.393 -13.275 0.276 5 HG2 GLU 1 2HG GLU 1 12.883 -11.129 1.364 6 HG3 GLU 1 1HG GLU 1 14.511 -10.569 0.979 7 H VAL 2 H VAL 2 12.831 -14.902 2.440 8 HA VAL 2 HA VAL 2 11.417 -13.241 4.422 9 HB VAL 2 HB VAL 2 9.379 -14.558 3.820 10 HG11 VAL 2 1HG1 VAL 2 8.953 -13.353 1.720 11 HG12 VAL 2 2HG1 VAL 2 10.673 -12.982 1.598 12 HG13 VAL 2 3HG1 VAL 2 9.722 -12.326 2.930 13 HG21 VAL 2 3HG2 VAL 2 10.477 -16.508 2.858 14 HG22 VAL 2 1HG2 VAL 2 11.107 -15.520 1.540 15 HG23 VAL 2 2HG2 VAL 2 9.369 -15.779 1.695 16 H GLU 3 H GLU 3 13.175 -16.085 3.949 17 HA GLU 3 HA GLU 3 12.191 -17.151 6.513 18 HB2 GLU 3 2HB GLU 3 12.853 -19.427 5.621 19 HB3 GLU 3 1HB GLU 3 11.426 -18.700 4.899 20 HG2 GLU 3 2HG GLU 3 12.667 -19.662 3.141 21 HG3 GLU 3 1HG GLU 3 12.892 -17.918 3.023 22 H LYS 4 H LYS 4 13.870 -18.784 7.420 23 HA LYS 4 HA LYS 4 15.896 -19.114 8.386 24 HB2 LYS 4 2HB LYS 4 16.571 -19.549 6.033 25 HB3 LYS 4 1HB LYS 4 17.010 -17.854 5.874 26 HG2 LYS 4 2HG LYS 4 18.698 -18.125 7.620 27 HG3 LYS 4 1HG LYS 4 18.258 -19.828 7.775 28 HD2 LYS 4 2HD LYS 4 18.872 -20.159 5.399 29 HD3 LYS 4 1HD LYS 4 19.400 -18.478 5.329 30 HE2 LYS 4 2HE LYS 4 20.530 -20.637 7.107 31 HE3 LYS 4 1HE LYS 4 21.296 -19.960 5.668 32 HZ1 LYS 4 3HZ LYS 4 22.188 -18.985 7.687 33 HZ2 LYS 4 1HZ LYS 4 20.648 -18.456 8.147 34 HZ3 LYS 4 2HZ LYS 4 21.387 -17.814 6.768 35 H SER 5 H SER 5 16.923 -16.221 6.629 36 HA SER 5 HA SER 5 16.581 -14.506 8.914 37 HB2 SER 5 2HB SER 5 18.636 -15.684 9.559 38 HB3 SER 5 1HB SER 5 19.383 -15.239 8.024 39 HG SER 5 HG SER 5 18.666 -13.576 10.191 40 H SER 6 H SER 6 19.095 -14.351 6.427 41 HA SER 6 HA SER 6 19.535 -12.798 4.821 42 HB2 SER 6 2HB SER 6 16.529 -12.950 4.478 43 HB3 SER 6 1HB SER 6 17.653 -12.265 3.305 44 HG SER 6 HG SER 6 18.297 -14.806 4.131 45 H ASP 7 H ASP 7 20.238 -11.201 6.326 46 HA ASP 7 HA ASP 7 18.368 -9.226 7.285 47 HB2 ASP 7 2HB ASP 7 21.391 -9.303 7.406 48 HB3 ASP 7 1HB ASP 7 20.374 -8.130 8.236 49 H GLY 8 H GLY 8 21.468 -8.425 5.794 50 HA2 GLY 8 2HA GLY 8 22.004 -7.060 4.025 51 HA3 GLY 8 1HA GLY 8 20.372 -7.300 3.421 52 HA PRO 9 HA PRO 9 21.142 -3.061 5.772 53 HB2 PRO 9 2HB PRO 9 22.063 -2.004 3.163 54 HB3 PRO 9 1HB PRO 9 22.674 -1.676 4.787 55 HG2 PRO 9 2HG PRO 9 24.049 -3.202 3.084 56 HG3 PRO 9 1HG PRO 9 23.998 -3.577 4.816 57 HD2 PRO 9 2HD PRO 9 22.512 -4.853 2.553 58 HD3 PRO 9 1HD PRO 9 23.256 -5.605 3.980 59 H GLY 10 H GLY 10 18.980 -2.714 5.895 60 HA2 GLY 10 2HA GLY 10 17.586 -0.961 4.433 61 HA3 GLY 10 1HA GLY 10 17.389 -2.423 3.480 62 H ALA 11 H ALA 11 15.077 -1.839 4.028 63 HA ALA 11 HA ALA 11 14.154 -3.632 6.045 64 HB1 ALA 11 1HB ALA 11 13.135 -2.132 7.567 65 HB2 ALA 11 2HB ALA 11 13.487 -0.741 6.543 66 HB3 ALA 11 3HB ALA 11 14.800 -1.579 7.371 67 H ALA 12 H ALA 12 12.827 -0.593 4.760 68 HA ALA 12 HA ALA 12 11.022 -0.134 3.464 69 HB1 ALA 12 1HB ALA 12 10.629 -1.464 1.555 70 HB2 ALA 12 2HB ALA 12 11.289 -2.905 2.333 71 HB3 ALA 12 3HB ALA 12 12.359 -1.575 1.884 72 H GLN 13 H GLN 13 9.241 0.089 4.636 73 HA GLN 13 HA GLN 13 8.053 -1.884 6.239 74 HB2 GLN 13 2HB GLN 13 6.090 -0.310 6.271 75 HB3 GLN 13 1HB GLN 13 7.629 0.406 6.734 76 HG2 GLN 13 2HG GLN 13 7.848 1.320 4.450 77 HG3 GLN 13 1HG GLN 13 6.256 0.667 4.068 78 HE21 GLN 13 1HE2 GLN 13 7.063 2.006 7.186 79 HE22 GLN 13 2HE2 GLN 13 6.080 3.421 7.054 80 H GLU 14 H GLU 14 5.890 -2.801 6.013 81 HA GLU 14 HA GLU 14 5.124 -3.313 3.216 82 HB2 GLU 14 2HB GLU 14 4.746 -5.644 3.707 83 HB3 GLU 14 1HB GLU 14 6.388 -5.231 4.178 84 HG2 GLU 14 2HG GLU 14 5.573 -4.991 6.523 85 HG3 GLU 14 1HG GLU 14 4.014 -5.615 5.981 86 HA PRO 15 HA PRO 15 0.992 -2.368 4.422 87 HB2 PRO 15 2HB PRO 15 -0.501 -4.162 3.026 88 HB3 PRO 15 1HB PRO 15 0.306 -2.779 2.277 89 HG2 PRO 15 2HG PRO 15 1.157 -5.642 2.387 90 HG3 PRO 15 1HG PRO 15 1.238 -4.497 1.036 91 HD2 PRO 15 2HD PRO 15 3.387 -5.119 2.568 92 HD3 PRO 15 1HD PRO 15 3.173 -3.532 1.804 93 H THR 16 H THR 16 -0.475 -2.821 5.980 94 HA THR 16 HA THR 16 0.032 -4.891 7.822 95 HB THR 16 HB THR 16 -2.523 -3.296 7.561 96 HG1 THR 16 1HG THR 16 -0.841 -2.400 9.459 97 HG21 THR 16 3HG2 THR 16 -1.239 -4.655 9.934 98 HG22 THR 16 1HG2 THR 16 -2.672 -5.220 9.073 99 HG23 THR 16 2HG2 THR 16 -2.721 -3.700 9.967 100 H TRP 17 H TRP 17 -1.239 -6.681 8.420 101 HA TRP 17 HA TRP 17 -2.590 -7.941 6.156 102 HB2 TRP 17 2HB TRP 17 -1.587 -9.074 8.772 103 HB3 TRP 17 1HB TRP 17 -2.391 -10.019 7.522 104 HD1 TRP 17 HD TRP 17 -0.894 -9.002 4.955 105 HE1 TRP 17 1HE TRP 17 1.593 -9.557 4.597 106 HE3 TRP 17 3HE TRP 17 0.427 -9.970 9.798 107 HZ2 TRP 17 2HZ TRP 17 3.820 -10.308 6.162 108 HZ3 TRP 17 3HZ TRP 17 2.753 -10.602 10.282 109 HH2 TRP 17 HH TRP 17 4.415 -10.767 8.501 110 H LEU 18 H LEU 18 -4.594 -6.903 6.235 111 HA LEU 18 HA LEU 18 -6.180 -6.961 8.658 112 HB2 LEU 18 2HB LEU 18 -6.998 -6.175 5.861 113 HB3 LEU 18 1HB LEU 18 -7.863 -5.817 7.347 114 HG LEU 18 HG LEU 18 -5.129 -4.748 6.651 115 HD11 LEU 18 1HD1 LEU 18 -6.296 -2.595 6.379 116 HD12 LEU 18 2HD1 LEU 18 -7.835 -3.442 6.528 117 HD13 LEU 18 3HD1 LEU 18 -6.764 -3.793 5.174 118 HD21 LEU 18 3HD2 LEU 18 -5.618 -3.202 8.557 119 HD22 LEU 18 1HD2 LEU 18 -5.351 -4.884 9.015 120 HD23 LEU 18 2HD2 LEU 18 -6.989 -4.235 8.959 121 H THR 19 H THR 19 -5.952 -9.360 8.749 122 HA THR 19 HA THR 19 -7.274 -11.016 6.853 123 HB THR 19 HB THR 19 -6.989 -12.813 8.492 124 HG1 THR 19 1HG THR 19 -6.806 -12.347 10.546 125 HG21 THR 19 3HG2 THR 19 -4.601 -10.985 8.231 126 HG22 THR 19 1HG2 THR 19 -5.078 -12.263 7.113 127 HG23 THR 19 2HG2 THR 19 -4.525 -12.673 8.737 128 H ASP 20 H ASP 20 -8.581 -8.855 8.975 129 HA ASP 20 HA ASP 20 -11.127 -10.297 8.953 130 HB2 ASP 20 2HB ASP 20 -9.859 -9.093 11.416 131 HB3 ASP 20 1HB ASP 20 -11.551 -9.578 11.319 132 H VAL 21 H VAL 21 -12.962 -9.017 8.947 133 HA VAL 21 HA VAL 21 -12.797 -6.556 7.650 134 HB VAL 21 HB VAL 21 -15.123 -7.520 9.320 135 HG11 VAL 21 1HG1 VAL 21 -15.332 -5.195 8.701 136 HG12 VAL 21 2HG1 VAL 21 -16.456 -6.163 7.745 137 HG13 VAL 21 3HG1 VAL 21 -14.958 -5.579 7.020 138 HG21 VAL 21 3HG2 VAL 21 -15.977 -8.481 7.216 139 HG22 VAL 21 1HG2 VAL 21 -14.482 -9.248 7.752 140 HG23 VAL 21 2HG2 VAL 21 -14.447 -8.076 6.434 141 HA PRO 22 HA PRO 22 -13.782 -4.500 11.995 142 HB2 PRO 22 2HB PRO 22 -12.600 -5.880 14.079 143 HB3 PRO 22 1HB PRO 22 -14.318 -5.944 13.678 144 HG2 PRO 22 2HG PRO 22 -12.131 -7.853 12.964 145 HG3 PRO 22 1HG PRO 22 -13.795 -8.194 13.478 146 HD2 PRO 22 2HD PRO 22 -13.082 -8.364 10.911 147 HD3 PRO 22 1HD PRO 22 -14.672 -7.727 11.378 148 H ALA 23 H ALA 23 -10.844 -6.501 11.750 149 HA ALA 23 HA ALA 23 -9.100 -4.565 12.838 150 HB1 ALA 23 1HB ALA 23 -8.598 -7.007 12.637 151 HB2 ALA 23 2HB ALA 23 -7.306 -5.950 12.068 152 HB3 ALA 23 3HB ALA 23 -8.359 -6.757 10.906 153 H ALA 24 H ALA 24 -10.255 -5.240 9.631 154 HA ALA 24 HA ALA 24 -8.471 -3.595 8.186 155 HB1 ALA 24 1HB ALA 24 -9.817 -5.273 7.060 156 HB2 ALA 24 2HB ALA 24 -10.185 -3.678 6.399 157 HB3 ALA 24 3HB ALA 24 -11.300 -4.442 7.533 158 H MET 25 H MET 25 -11.847 -3.030 9.148 159 HA MET 25 HA MET 25 -11.961 -0.325 8.451 160 HB2 MET 25 2HB MET 25 -13.546 -1.712 10.618 161 HB3 MET 25 1HB MET 25 -13.992 -0.236 9.771 162 HG2 MET 25 2HG MET 25 -14.089 -1.538 7.663 163 HG3 MET 25 1HG MET 25 -13.787 -2.998 8.600 164 HE1 MET 25 3HE MET 25 -15.382 -2.555 11.233 165 HE2 MET 25 1HE MET 25 -15.511 -4.058 10.318 166 HE3 MET 25 2HE MET 25 -16.969 -3.223 10.851 167 H GLU 26 H GLU 26 -10.687 -1.914 11.287 168 HA GLU 26 HA GLU 26 -10.689 0.393 12.964 169 HB2 GLU 26 2HB GLU 26 -9.404 -2.302 13.084 170 HB3 GLU 26 1HB GLU 26 -8.810 -1.031 14.144 171 HG2 GLU 26 2HG GLU 26 -11.285 -0.725 14.794 172 HG3 GLU 26 1HG GLU 26 -11.501 -2.325 14.079 173 H PHE 27 H PHE 27 -8.146 -1.230 11.070 174 HA PHE 27 HA PHE 27 -6.120 0.609 11.638 175 HB2 PHE 27 2HB PHE 27 -6.560 -1.494 9.618 176 HB3 PHE 27 1HB PHE 27 -5.441 -0.222 9.138 177 HD1 PHE 27 1HD PHE 27 -6.106 -2.815 11.680 178 HD2 PHE 27 2HD PHE 27 -3.273 -0.083 10.058 179 HE1 PHE 27 1HE PHE 27 -4.327 -3.876 13.009 180 HE2 PHE 27 2HE PHE 27 -1.490 -1.140 11.381 181 HZ PHE 27 HZ PHE 27 -2.015 -3.039 12.860 182 H ILE 28 H ILE 28 -8.699 0.628 9.266 183 HA ILE 28 HA ILE 28 -7.757 2.927 7.847 184 HB ILE 28 HB ILE 28 -10.419 1.525 7.958 185 HG12 ILE 28 2HG1 ILE 28 -8.624 1.998 5.581 186 HG13 ILE 28 1HG1 ILE 28 -8.390 0.628 6.669 187 HG21 ILE 28 1HG2 ILE 28 -10.972 3.849 7.695 188 HG22 ILE 28 2HG2 ILE 28 -11.164 3.045 6.140 189 HG23 ILE 28 3HG2 ILE 28 -9.745 4.042 6.445 190 HD11 ILE 28 3HD1 ILE 28 -11.035 1.132 5.370 191 HD12 ILE 28 1HD1 ILE 28 -10.390 -0.369 6.033 192 HD13 ILE 28 2HD1 ILE 28 -9.745 0.279 4.525 193 H ALA 29 H ALA 29 -9.987 2.358 10.514 194 HA ALA 29 HA ALA 29 -10.901 5.051 10.706 195 HB1 ALA 29 1HB ALA 29 -11.000 2.806 12.723 196 HB2 ALA 29 2HB ALA 29 -12.251 3.214 11.547 197 HB3 ALA 29 3HB ALA 29 -11.869 4.337 12.851 198 H ALA 30 H ALA 30 -8.074 3.420 11.713 199 HA ALA 30 HA ALA 30 -7.463 5.377 13.792 200 HB1 ALA 30 1HB ALA 30 -5.513 3.991 14.261 201 HB2 ALA 30 2HB ALA 30 -5.886 2.980 12.865 202 HB3 ALA 30 3HB ALA 30 -6.987 3.023 14.243 203 H THR 31 H THR 31 -7.593 6.019 10.867 204 HA THR 31 HA THR 31 -5.340 7.742 10.769 205 HB THR 31 HB THR 31 -4.124 5.726 10.162 206 HG1 THR 31 1HG THR 31 -3.132 7.081 8.877 207 HG21 THR 31 3HG2 THR 31 -6.313 4.691 9.177 208 HG22 THR 31 1HG2 THR 31 -4.744 4.243 8.510 209 HG23 THR 31 2HG2 THR 31 -5.751 5.425 7.675 210 H GLU 32 H GLU 32 -5.354 9.142 8.931 211 HA GLU 32 HA GLU 32 -7.951 9.811 8.026 212 HB2 GLU 32 2HB GLU 32 -5.824 11.280 8.319 213 HB3 GLU 32 1HB GLU 32 -5.443 10.767 6.681 214 HG2 GLU 32 2HG GLU 32 -7.390 11.784 5.811 215 HG3 GLU 32 1HG GLU 32 -8.055 12.044 7.424 216 H VAL 33 H VAL 33 -5.172 9.113 5.899 217 HA VAL 33 HA VAL 33 -7.037 7.928 3.977 218 HB VAL 33 HB VAL 33 -4.143 8.628 3.513 219 HG11 VAL 33 1HG1 VAL 33 -6.442 8.080 1.637 220 HG12 VAL 33 2HG1 VAL 33 -5.009 7.076 1.887 221 HG13 VAL 33 3HG1 VAL 33 -4.850 8.666 1.138 222 HG21 VAL 33 3HG2 VAL 33 -6.624 10.284 3.106 223 HG22 VAL 33 1HG2 VAL 33 -5.052 10.668 2.398 224 HG23 VAL 33 2HG2 VAL 33 -5.248 10.650 4.151 225 H ALA 34 H ALA 34 -6.925 5.831 3.325 226 HA ALA 34 HA ALA 34 -4.713 4.166 4.275 227 HB1 ALA 34 1HB ALA 34 -7.618 3.676 4.892 228 HB2 ALA 34 2HB ALA 34 -6.292 3.896 6.035 229 HB3 ALA 34 3HB ALA 34 -6.369 2.440 5.041 230 H VAL 35 H VAL 35 -4.035 2.815 2.755 231 HA VAL 35 HA VAL 35 -5.891 2.138 0.574 232 HB VAL 35 HB VAL 35 -2.904 2.539 0.491 233 HG11 VAL 35 1HG1 VAL 35 -3.397 0.534 -0.790 234 HG12 VAL 35 2HG1 VAL 35 -3.043 1.868 -1.889 235 HG13 VAL 35 3HG1 VAL 35 -4.712 1.363 -1.626 236 HG21 VAL 35 3HG2 VAL 35 -3.546 4.156 -1.273 237 HG22 VAL 35 1HG2 VAL 35 -4.218 4.549 0.311 238 HG23 VAL 35 2HG2 VAL 35 -5.241 3.809 -0.920 239 H ILE 36 H ILE 36 -6.273 0.058 0.172 240 HA ILE 36 HA ILE 36 -4.588 -1.945 1.494 241 HB ILE 36 HB ILE 36 -7.592 -1.802 1.693 242 HG12 ILE 36 2HG1 ILE 36 -5.704 -1.860 4.011 243 HG13 ILE 36 1HG1 ILE 36 -5.940 -0.350 3.143 244 HG21 ILE 36 1HG2 ILE 36 -7.311 -3.786 3.193 245 HG22 ILE 36 2HG2 ILE 36 -5.642 -3.908 2.622 246 HG23 ILE 36 3HG2 ILE 36 -6.983 -4.100 1.487 247 HD11 ILE 36 3HD1 ILE 36 -7.395 -0.378 5.008 248 HD12 ILE 36 1HD1 ILE 36 -8.009 -1.974 4.577 249 HD13 ILE 36 2HD1 ILE 36 -8.376 -0.585 3.557 250 H GLY 37 H GLY 37 -4.244 -3.765 0.394 251 HA2 GLY 37 2HA GLY 37 -5.482 -3.986 -2.251 252 HA3 GLY 37 1HA GLY 37 -3.986 -4.750 -1.754 253 H PHE 38 H PHE 38 -7.411 -5.041 -1.950 254 HA PHE 38 HA PHE 38 -7.564 -7.439 -0.328 255 HB2 PHE 38 2HB PHE 38 -9.650 -6.248 -2.173 256 HB3 PHE 38 1HB PHE 38 -9.918 -7.456 -0.923 257 HD1 PHE 38 2HD PHE 38 -8.630 -3.983 -1.333 258 HD2 PHE 38 1HD PHE 38 -10.663 -6.780 1.146 259 HE1 PHE 38 2HE PHE 38 -9.093 -2.202 0.296 260 HE2 PHE 38 1HE PHE 38 -11.129 -4.999 2.777 261 HZ PHE 38 HZ PHE 38 -10.344 -2.707 2.353 262 H PHE 39 H PHE 39 -6.168 -8.875 -1.332 263 HA PHE 39 HA PHE 39 -6.831 -9.637 -4.094 264 HB2 PHE 39 2HB PHE 39 -4.303 -10.279 -2.582 265 HB3 PHE 39 1HB PHE 39 -4.590 -10.448 -4.314 266 HD1 PHE 39 2HD PHE 39 -5.813 -7.908 -5.027 267 HD2 PHE 39 1HD PHE 39 -2.614 -8.727 -2.343 268 HE1 PHE 39 2HE PHE 39 -4.928 -5.646 -5.396 269 HE2 PHE 39 1HE PHE 39 -1.726 -6.463 -2.707 270 HZ PHE 39 HZ PHE 39 -2.883 -4.918 -4.235 271 H GLN 40 H GLN 40 -7.413 -11.667 -4.607 272 HA GLN 40 HA GLN 40 -7.988 -13.513 -2.446 273 HB2 GLN 40 2HB GLN 40 -8.447 -13.739 -5.432 274 HB3 GLN 40 1HB GLN 40 -9.010 -14.897 -4.235 275 HG2 GLN 40 2HG GLN 40 -10.399 -13.162 -3.215 276 HG3 GLN 40 1HG GLN 40 -9.845 -12.012 -4.433 277 HE21 GLN 40 1HE2 GLN 40 -10.567 -12.211 -6.550 278 HE22 GLN 40 2HE2 GLN 40 -11.936 -13.180 -6.970 279 H ASP 41 H ASP 41 -5.404 -12.728 -4.269 280 HA ASP 41 HA ASP 41 -3.981 -15.166 -3.640 281 HB2 ASP 41 2HB ASP 41 -5.036 -15.439 -5.965 282 HB3 ASP 41 1HB ASP 41 -3.937 -14.164 -6.493 283 H LEU 42 H LEU 42 -1.998 -14.585 -2.912 284 HA LEU 42 HA LEU 42 -1.141 -11.840 -3.414 285 HB2 LEU 42 2HB LEU 42 -0.143 -13.862 -1.411 286 HB3 LEU 42 1HB LEU 42 0.476 -12.228 -1.577 287 HG LEU 42 HG LEU 42 -2.340 -12.967 -0.786 288 HD11 LEU 42 1HD1 LEU 42 -0.079 -11.800 0.829 289 HD12 LEU 42 2HD1 LEU 42 -0.694 -13.448 0.953 290 HD13 LEU 42 3HD1 LEU 42 -1.723 -12.088 1.399 291 HD21 LEU 42 3HD2 LEU 42 -2.544 -10.541 -0.298 292 HD22 LEU 42 1HD2 LEU 42 -2.355 -10.898 -2.015 293 HD23 LEU 42 2HD2 LEU 42 -0.985 -10.290 -1.083 294 H GLU 43 H GLU 43 -0.865 -13.301 -5.631 295 HA GLU 43 HA GLU 43 2.048 -13.447 -5.913 296 HB2 GLU 43 2HB GLU 43 0.118 -15.497 -7.019 297 HB3 GLU 43 1HB GLU 43 1.837 -15.428 -7.373 298 HG2 GLU 43 2HG GLU 43 2.344 -15.838 -5.033 299 HG3 GLU 43 1HG GLU 43 0.620 -15.891 -4.666 300 H ILE 44 H ILE 44 -0.555 -11.858 -6.674 301 HA ILE 44 HA ILE 44 -0.223 -11.688 -9.564 302 HB ILE 44 HB ILE 44 -2.058 -9.887 -9.249 303 HG12 ILE 44 2HG1 ILE 44 -2.731 -11.378 -6.764 304 HG13 ILE 44 1HG1 ILE 44 -1.541 -10.090 -6.656 305 HG21 ILE 44 1HG2 ILE 44 -2.775 -12.734 -8.563 306 HG22 ILE 44 2HG2 ILE 44 -2.315 -12.201 -10.184 307 HG23 ILE 44 3HG2 ILE 44 -3.762 -11.544 -9.418 308 HD11 ILE 44 3HD1 ILE 44 -3.565 -9.084 -6.130 309 HD12 ILE 44 1HD1 ILE 44 -4.422 -9.922 -7.424 310 HD13 ILE 44 2HD1 ILE 44 -3.279 -8.638 -7.812 311 HA PRO 45 HA PRO 45 2.360 -8.122 -9.864 312 HB2 PRO 45 2HB PRO 45 0.131 -6.829 -11.371 313 HB3 PRO 45 1HB PRO 45 1.832 -6.995 -11.811 314 HG2 PRO 45 2HG PRO 45 0.004 -8.542 -12.949 315 HG3 PRO 45 1HG PRO 45 1.575 -9.214 -12.476 316 HD2 PRO 45 2HD PRO 45 -1.087 -9.507 -11.157 317 HD3 PRO 45 1HD PRO 45 0.229 -10.685 -11.315 318 H ALA 46 H ALA 46 -0.959 -7.696 -8.851 319 HA ALA 46 HA ALA 46 -0.806 -5.002 -8.040 320 HB1 ALA 46 1HB ALA 46 -2.601 -7.091 -6.842 321 HB2 ALA 46 2HB ALA 46 -2.887 -6.362 -8.421 322 HB3 ALA 46 3HB ALA 46 -2.891 -5.354 -6.971 323 H VAL 47 H VAL 47 -0.035 -8.005 -6.342 324 HA VAL 47 HA VAL 47 0.081 -6.902 -3.759 325 HB VAL 47 HB VAL 47 1.848 -9.189 -4.562 326 HG11 VAL 47 1HG1 VAL 47 1.254 -9.995 -2.320 327 HG12 VAL 47 2HG1 VAL 47 0.256 -8.560 -2.076 328 HG13 VAL 47 3HG1 VAL 47 2.002 -8.399 -2.272 329 HG21 VAL 47 3HG2 VAL 47 -0.022 -10.708 -4.364 330 HG22 VAL 47 1HG2 VAL 47 -0.349 -9.527 -5.633 331 HG23 VAL 47 2HG2 VAL 47 -1.119 -9.363 -4.055 332 HA PRO 48 HA PRO 48 4.898 -6.394 -4.434 333 HB2 PRO 48 2HB PRO 48 5.008 -6.168 -7.390 334 HB3 PRO 48 1HB PRO 48 6.121 -6.983 -6.284 335 HG2 PRO 48 2HG PRO 48 4.472 -8.384 -7.833 336 HG3 PRO 48 1HG PRO 48 4.808 -8.892 -6.166 337 HD2 PRO 48 2HD PRO 48 2.412 -7.475 -7.266 338 HD3 PRO 48 1HD PRO 48 2.493 -8.791 -6.082 339 H ILE 49 H ILE 49 2.738 -5.050 -6.882 340 HA ILE 49 HA ILE 49 3.905 -2.503 -7.044 341 HB ILE 49 HB ILE 49 1.278 -3.659 -7.816 342 HG12 ILE 49 2HG1 ILE 49 3.060 -1.997 -9.536 343 HG13 ILE 49 1HG1 ILE 49 3.576 -3.620 -9.092 344 HG21 ILE 49 1HG2 ILE 49 1.829 -0.752 -7.498 345 HG22 ILE 49 2HG2 ILE 49 0.365 -1.666 -7.138 346 HG23 ILE 49 3HG2 ILE 49 0.794 -1.316 -8.811 347 HD11 ILE 49 3HD1 ILE 49 0.878 -3.139 -10.283 348 HD12 ILE 49 1HD1 ILE 49 1.836 -4.620 -10.247 349 HD13 ILE 49 2HD1 ILE 49 2.317 -3.283 -11.297 350 H LEU 50 H LEU 50 1.431 -3.832 -4.909 351 HA LEU 50 HA LEU 50 0.768 -1.319 -3.722 352 HB2 LEU 50 2HB LEU 50 -0.844 -3.092 -3.599 353 HB3 LEU 50 1HB LEU 50 0.306 -4.157 -2.824 354 HG LEU 50 HG LEU 50 0.319 -2.569 -0.866 355 HD11 LEU 50 1HD1 LEU 50 -1.471 -0.982 -0.637 356 HD12 LEU 50 2HD1 LEU 50 -2.129 -1.439 -2.209 357 HD13 LEU 50 3HD1 LEU 50 -0.569 -0.624 -2.110 358 HD21 LEU 50 3HD2 LEU 50 -1.048 -4.712 -1.078 359 HD22 LEU 50 1HD2 LEU 50 -2.431 -3.662 -1.407 360 HD23 LEU 50 2HD2 LEU 50 -1.569 -3.537 0.131 361 H HIS 51 H HIS 51 2.724 -4.098 -2.647 362 HA HIS 51 HA HIS 51 3.703 -3.040 -0.278 363 HB2 HIS 51 2HB HIS 51 4.940 -4.915 -2.292 364 HB3 HIS 51 1HB HIS 51 5.789 -4.455 -0.820 365 HD1 HIS 51 1HD HIS 51 2.261 -5.728 -1.542 366 HD2 HIS 51 2HD HIS 51 5.468 -6.383 1.017 367 HE1 HIS 51 1HE HIS 51 1.536 -7.592 -0.016 368 HE2 HIS 51 2HE HIS 51 3.468 -7.926 1.566 369 H SER 52 H SER 52 4.440 -2.274 -3.565 370 HA SER 52 HA SER 52 6.874 -0.841 -2.991 371 HB2 SER 52 2HB SER 52 6.588 -1.907 -5.174 372 HB3 SER 52 1HB SER 52 5.158 -0.924 -5.487 373 HG SER 52 HG SER 52 6.531 0.426 -6.323 374 H MET 53 H MET 53 3.531 0.039 -3.865 375 HA MET 53 HA MET 53 3.888 2.815 -3.827 376 HB2 MET 53 2HB MET 53 1.589 2.999 -3.971 377 HB3 MET 53 1HB MET 53 1.837 1.369 -4.572 378 HG2 MET 53 2HG MET 53 0.049 1.128 -3.142 379 HG3 MET 53 1HG MET 53 1.412 0.642 -2.143 380 HE1 MET 53 3HE MET 53 0.339 0.987 0.209 381 HE2 MET 53 1HE MET 53 -1.171 1.176 -0.682 382 HE3 MET 53 2HE MET 53 -0.741 2.331 0.579 383 H VAL 54 H VAL 54 3.623 0.479 -1.316 384 HA VAL 54 HA VAL 54 2.789 1.954 0.865 385 HB VAL 54 HB VAL 54 4.833 -0.251 0.705 386 HG11 VAL 54 1HG1 VAL 54 3.546 0.927 3.155 387 HG12 VAL 54 2HG1 VAL 54 5.247 1.054 2.713 388 HG13 VAL 54 3HG1 VAL 54 4.554 -0.517 3.120 389 HG21 VAL 54 3HG2 VAL 54 2.774 -1.149 0.107 390 HG22 VAL 54 1HG2 VAL 54 1.896 -0.138 1.252 391 HG23 VAL 54 2HG2 VAL 54 2.881 -1.478 1.835 392 H GLN 55 H GLN 55 6.091 1.550 -0.377 393 HA GLN 55 HA GLN 55 7.213 3.360 1.531 394 HB2 GLN 55 2HB GLN 55 8.511 2.503 -1.035 395 HB3 GLN 55 1HB GLN 55 9.266 2.935 0.494 396 HG2 GLN 55 2HG GLN 55 8.471 0.901 1.511 397 HG3 GLN 55 1HG GLN 55 7.584 0.482 0.045 398 HE21 GLN 55 1HE2 GLN 55 10.750 1.939 -0.011 399 HE22 GLN 55 2HE2 GLN 55 11.593 0.553 -0.598 400 H LYS 56 H LYS 56 5.444 3.760 -1.282 401 HA LYS 56 HA LYS 56 6.708 6.279 -2.044 402 HB2 LYS 56 2HB LYS 56 4.357 4.819 -3.260 403 HB3 LYS 56 1HB LYS 56 5.124 6.255 -3.921 404 HG2 LYS 56 2HG LYS 56 7.186 5.019 -4.263 405 HG3 LYS 56 1HG LYS 56 6.450 3.574 -3.563 406 HD2 LYS 56 2HD LYS 56 6.312 3.309 -5.907 407 HD3 LYS 56 1HD LYS 56 4.692 3.768 -5.378 408 HE2 LYS 56 2HE LYS 56 5.161 5.048 -7.317 409 HE3 LYS 56 1HE LYS 56 5.301 6.139 -5.938 410 HZ1 LYS 56 3HZ LYS 56 7.569 4.833 -7.341 411 HZ2 LYS 56 1HZ LYS 56 7.701 5.881 -6.019 412 HZ3 LYS 56 2HZ LYS 56 7.114 6.454 -7.499 413 H PHE 57 H PHE 57 4.134 5.060 -0.178 414 HA PHE 57 HA PHE 57 3.139 7.783 0.254 415 HB2 PHE 57 2HB PHE 57 1.524 5.335 -0.391 416 HB3 PHE 57 1HB PHE 57 0.817 6.704 0.464 417 HD1 PHE 57 2HD PHE 57 0.537 8.855 -0.649 418 HD2 PHE 57 1HD PHE 57 2.070 5.467 -2.717 419 HE1 PHE 57 2HE PHE 57 0.117 9.980 -2.796 420 HE2 PHE 57 1HE PHE 57 1.656 6.587 -4.868 421 HZ PHE 57 HZ PHE 57 0.676 8.846 -4.911 422 HA PRO 58 HA PRO 58 4.314 5.383 4.201 423 HB2 PRO 58 2HB PRO 58 5.357 7.737 5.287 424 HB3 PRO 58 1HB PRO 58 6.301 6.436 4.554 425 HG2 PRO 58 2HG PRO 58 5.347 9.001 3.346 426 HG3 PRO 58 1HG PRO 58 6.908 8.176 3.141 427 HD2 PRO 58 2HD PRO 58 5.065 8.030 1.236 428 HD3 PRO 58 1HD PRO 58 6.004 6.588 1.675 429 H GLY 59 H GLY 59 3.069 8.671 3.665 430 HA2 GLY 59 2HA GLY 59 1.728 8.984 6.103 431 HA3 GLY 59 1HA GLY 59 1.296 9.792 4.600 432 H VAL 60 H VAL 60 0.669 7.581 3.046 433 HA VAL 60 HA VAL 60 -2.005 7.066 3.804 434 HB VAL 60 HB VAL 60 -0.196 5.964 1.665 435 HG11 VAL 60 1HG1 VAL 60 -3.049 5.109 2.164 436 HG12 VAL 60 2HG1 VAL 60 -1.617 4.097 2.362 437 HG13 VAL 60 3HG1 VAL 60 -2.070 4.682 0.760 438 HG21 VAL 60 3HG2 VAL 60 -2.706 7.635 1.637 439 HG22 VAL 60 1HG2 VAL 60 -1.873 7.048 0.196 440 HG23 VAL 60 2HG2 VAL 60 -1.063 8.173 1.286 441 H SER 61 H SER 61 -2.963 5.205 4.643 442 HA SER 61 HA SER 61 -1.221 3.576 6.269 443 HB2 SER 61 2HB SER 61 -3.383 4.380 7.147 444 HB3 SER 61 1HB SER 61 -4.221 3.429 5.924 445 HG SER 61 HG SER 61 -3.797 1.637 6.993 446 H PHE 62 H PHE 62 -0.074 2.170 5.086 447 HA PHE 62 HA PHE 62 -1.035 0.766 2.833 448 HB2 PHE 62 2HB PHE 62 0.999 -0.769 3.437 449 HB3 PHE 62 1HB PHE 62 1.278 0.886 2.899 450 HD1 PHE 62 1HD PHE 62 1.217 -1.331 5.843 451 HD2 PHE 62 2HD PHE 62 2.236 2.515 4.338 452 HE1 PHE 62 1HE PHE 62 2.472 -0.861 7.905 453 HE2 PHE 62 2HE PHE 62 3.494 2.991 6.395 454 HZ PHE 62 HZ PHE 62 3.614 1.302 8.183 455 H GLY 63 H GLY 63 -2.262 -0.981 2.679 456 HA2 GLY 63 2HA GLY 63 -2.353 -2.894 4.893 457 HA3 GLY 63 1HA GLY 63 -3.862 -2.132 4.413 458 H ILE 64 H ILE 64 -3.510 -4.875 4.342 459 HA ILE 64 HA ILE 64 -4.162 -5.405 1.604 460 HB ILE 64 HB ILE 64 -1.542 -5.520 1.945 461 HG12 ILE 64 2HG1 ILE 64 -3.085 -7.616 0.414 462 HG13 ILE 64 1HG1 ILE 64 -2.753 -5.981 -0.141 463 HG21 ILE 64 1HG2 ILE 64 -1.542 -7.085 3.788 464 HG22 ILE 64 2HG2 ILE 64 -0.775 -7.815 2.378 465 HG23 ILE 64 3HG2 ILE 64 -2.420 -8.265 2.817 466 HD11 ILE 64 3HD1 ILE 64 -0.341 -6.486 -0.070 467 HD12 ILE 64 1HD1 ILE 64 -1.235 -7.517 -1.190 468 HD13 ILE 64 2HD1 ILE 64 -0.732 -8.151 0.377 469 H SER 65 H SER 65 -5.395 -7.242 1.393 470 HA SER 65 HA SER 65 -5.628 -9.029 3.690 471 HB2 SER 65 2HB SER 65 -7.284 -7.314 4.171 472 HB3 SER 65 1HB SER 65 -7.967 -7.480 2.552 473 HG SER 65 HG SER 65 -9.024 -9.188 3.182 474 H THR 66 H THR 66 -6.614 -11.023 3.255 475 HA THR 66 HA THR 66 -7.179 -11.618 0.438 476 HB THR 66 HB THR 66 -5.933 -13.727 0.585 477 HG1 THR 66 1HG THR 66 -4.466 -13.926 2.424 478 HG21 THR 66 3HG2 THR 66 -4.142 -11.436 1.365 479 HG22 THR 66 1HG2 THR 66 -4.863 -11.610 -0.236 480 HG23 THR 66 2HG2 THR 66 -3.739 -12.831 0.363 481 H ASP 67 H ASP 67 -8.249 -11.615 3.519 482 HA ASP 67 HA ASP 67 -9.484 -14.166 3.751 483 HB2 ASP 67 2HB ASP 67 -9.011 -12.732 5.700 484 HB3 ASP 67 1HB ASP 67 -10.186 -11.558 5.117 485 H SER 68 H SER 68 -11.617 -14.768 3.413 486 HA SER 68 HA SER 68 -12.879 -13.621 1.154 487 HB2 SER 68 2HB SER 68 -13.068 -16.007 1.651 488 HB3 SER 68 1HB SER 68 -13.929 -15.647 3.145 489 HG SER 68 HG SER 68 -15.409 -16.147 1.531 490 H GLU 69 H GLU 69 -13.818 -13.700 4.600 491 HA GLU 69 HA GLU 69 -16.212 -12.350 4.449 492 HB2 GLU 69 2HB GLU 69 -14.168 -12.000 6.637 493 HB3 GLU 69 1HB GLU 69 -15.899 -11.716 6.756 494 HG2 GLU 69 2HG GLU 69 -16.323 -14.088 6.388 495 HG3 GLU 69 1HG GLU 69 -14.588 -14.379 6.259 496 H VAL 70 H VAL 70 -12.961 -10.947 4.653 497 HA VAL 70 HA VAL 70 -13.904 -8.268 4.711 498 HB VAL 70 HB VAL 70 -11.184 -9.398 4.048 499 HG11 VAL 70 1HG1 VAL 70 -10.379 -7.046 4.363 500 HG12 VAL 70 2HG1 VAL 70 -12.061 -6.528 4.279 501 HG13 VAL 70 3HG1 VAL 70 -11.313 -7.319 2.891 502 HG21 VAL 70 3HG2 VAL 70 -12.449 -8.247 6.499 503 HG22 VAL 70 1HG2 VAL 70 -10.702 -8.177 6.279 504 HG23 VAL 70 2HG2 VAL 70 -11.526 -9.737 6.318 505 H LEU 71 H LEU 71 -12.388 -10.216 2.141 506 HA LEU 71 HA LEU 71 -12.651 -8.339 0.091 507 HB2 LEU 71 2HB LEU 71 -12.314 -11.295 0.204 508 HB3 LEU 71 1HB LEU 71 -12.770 -10.577 -1.330 509 HG LEU 71 HG LEU 71 -10.769 -9.298 -1.439 510 HD11 LEU 71 1HD1 LEU 71 -10.608 -8.559 0.849 511 HD12 LEU 71 2HD1 LEU 71 -9.089 -9.313 0.363 512 HD13 LEU 71 3HD1 LEU 71 -10.225 -10.196 1.385 513 HD21 LEU 71 3HD2 LEU 71 -10.186 -12.084 -0.454 514 HD22 LEU 71 1HD2 LEU 71 -9.023 -11.046 -1.283 515 HD23 LEU 71 2HD2 LEU 71 -10.481 -11.584 -2.120 516 H THR 72 H THR 72 -15.017 -10.107 1.738 517 HA THR 72 HA THR 72 -16.977 -9.940 -0.416 518 HB THR 72 HB THR 72 -17.224 -11.002 2.412 519 HG1 THR 72 1HG THR 72 -17.558 -12.984 0.937 520 HG21 THR 72 3HG2 THR 72 -19.374 -11.990 1.483 521 HG22 THR 72 1HG2 THR 72 -19.200 -10.864 0.137 522 HG23 THR 72 2HG2 THR 72 -19.388 -10.252 1.780 523 H HIS 73 H HIS 73 -16.303 -8.582 2.770 524 HA HIS 73 HA HIS 73 -18.636 -7.047 3.048 525 HB2 HIS 73 2HB HIS 73 -16.946 -7.570 4.852 526 HB3 HIS 73 1HB HIS 73 -15.904 -6.345 4.137 527 HD1 HIS 73 1HD HIS 73 -16.437 -3.912 4.640 528 HD2 HIS 73 2HD HIS 73 -19.291 -6.552 6.105 529 HE1 HIS 73 1HE HIS 73 -17.917 -2.538 6.138 530 HE2 HIS 73 2HE HIS 73 -19.594 -4.174 7.070 531 H TYR 74 H TYR 74 -15.584 -6.439 1.427 532 HA TYR 74 HA TYR 74 -16.441 -3.738 0.711 533 HB2 TYR 74 2HB TYR 74 -13.823 -5.197 0.353 534 HB3 TYR 74 1HB TYR 74 -14.131 -3.592 -0.300 535 HD1 TYR 74 1HD TYR 74 -14.124 -5.498 2.901 536 HD2 TYR 74 2HD TYR 74 -13.736 -1.706 1.013 537 HE1 TYR 74 1HE TYR 74 -13.464 -4.504 5.049 538 HE2 TYR 74 2HE TYR 74 -13.072 -0.700 3.157 539 HH TYR 74 HH TYR 74 -13.313 -1.148 5.555 540 H ASN 75 H ASN 75 -17.344 -6.512 -0.369 541 HA ASN 75 HA ASN 75 -18.112 -7.373 -2.328 542 HB2 ASN 75 2HB ASN 75 -17.965 -4.455 -3.078 543 HB3 ASN 75 1HB ASN 75 -18.673 -5.687 -4.117 544 HD21 ASN 75 1HD2 ASN 75 -18.925 -5.733 -0.629 545 HD22 ASN 75 2HD2 ASN 75 -20.617 -5.406 -0.557 546 H ILE 76 H ILE 76 -15.149 -7.060 -1.890 547 HA ILE 76 HA ILE 76 -13.835 -6.506 -4.306 548 HB ILE 76 HB ILE 76 -12.971 -8.505 -2.217 549 HG12 ILE 76 2HG1 ILE 76 -13.528 -6.342 -1.196 550 HG13 ILE 76 1HG1 ILE 76 -11.801 -6.656 -1.132 551 HG21 ILE 76 1HG2 ILE 76 -11.428 -6.941 -4.272 552 HG22 ILE 76 2HG2 ILE 76 -11.657 -8.688 -4.210 553 HG23 ILE 76 3HG2 ILE 76 -10.695 -7.880 -2.974 554 HD11 ILE 76 3HD1 ILE 76 -11.437 -5.143 -2.994 555 HD12 ILE 76 1HD1 ILE 76 -12.295 -4.329 -1.686 556 HD13 ILE 76 2HD1 ILE 76 -13.173 -4.859 -3.121 557 H THR 77 H THR 77 -13.914 -7.532 -6.199 558 HA THR 77 HA THR 77 -14.193 -10.447 -6.242 559 HB THR 77 HB THR 77 -15.823 -10.300 -8.118 560 HG1 THR 77 1HG THR 77 -16.147 -7.590 -7.313 561 HG21 THR 77 3HG2 THR 77 -16.724 -9.048 -5.526 562 HG22 THR 77 1HG2 THR 77 -16.607 -10.774 -5.864 563 HG23 THR 77 2HG2 THR 77 -17.779 -9.783 -6.732 564 H GLY 78 H GLY 78 -11.797 -9.532 -6.636 565 HA2 GLY 78 2HA GLY 78 -10.794 -10.448 -8.930 566 HA3 GLY 78 1HA GLY 78 -11.355 -8.862 -9.437 567 H ASN 79 H ASN 79 -9.794 -9.932 -6.421 568 HA ASN 79 HA ASN 79 -8.009 -9.083 -5.283 569 HB2 ASN 79 2HB ASN 79 -6.895 -8.844 -8.084 570 HB3 ASN 79 1HB ASN 79 -5.950 -8.857 -6.600 571 HD21 ASN 79 1HD2 ASN 79 -5.636 -10.776 -5.508 572 HD22 ASN 79 2HD2 ASN 79 -6.007 -12.314 -6.202 573 H THR 80 H THR 80 -9.986 -7.243 -5.673 574 HA THR 80 HA THR 80 -9.144 -4.805 -6.849 575 HB THR 80 HB THR 80 -11.276 -5.352 -4.768 576 HG1 THR 80 1HG THR 80 -12.648 -5.435 -6.546 577 HG21 THR 80 3HG2 THR 80 -10.965 -2.935 -6.551 578 HG22 THR 80 1HG2 THR 80 -10.596 -2.972 -4.826 579 HG23 THR 80 2HG2 THR 80 -12.251 -3.224 -5.381 580 H ILE 81 H ILE 81 -8.581 -2.847 -5.853 581 HA ILE 81 HA ILE 81 -7.414 -3.045 -3.149 582 HB ILE 81 HB ILE 81 -6.454 -1.406 -5.506 583 HG12 ILE 81 2HG1 ILE 81 -5.144 -3.659 -3.970 584 HG13 ILE 81 1HG1 ILE 81 -5.803 -3.772 -5.597 585 HG21 ILE 81 1HG2 ILE 81 -4.691 -0.582 -4.045 586 HG22 ILE 81 2HG2 ILE 81 -5.377 -1.476 -2.689 587 HG23 ILE 81 3HG2 ILE 81 -6.279 -0.144 -3.413 588 HD11 ILE 81 3HD1 ILE 81 -3.437 -3.584 -5.746 589 HD12 ILE 81 1HD1 ILE 81 -3.433 -2.162 -4.700 590 HD13 ILE 81 2HD1 ILE 81 -4.145 -2.068 -6.312 591 H CYS 82 H CYS 82 -8.485 -1.807 -1.714 592 HA CYS 82 HA CYS 82 -10.069 0.419 -2.793 593 HB2 CYS 82 2HB CYS 82 -10.432 -1.121 -0.228 594 HB3 CYS 82 1HB CYS 82 -11.435 0.230 -0.743 595 HG CYS 82 HG CYS 82 -11.197 -2.817 -2.282 596 H LEU 83 H LEU 83 -9.768 2.438 -2.176 597 HA LEU 83 HA LEU 83 -7.779 2.992 -0.090 598 HB2 LEU 83 2HB LEU 83 -6.977 4.006 -2.005 599 HB3 LEU 83 1HB LEU 83 -8.577 4.370 -2.614 600 HG LEU 83 HG LEU 83 -8.804 6.237 -1.109 601 HD11 LEU 83 1HD1 LEU 83 -7.490 5.120 0.758 602 HD12 LEU 83 2HD1 LEU 83 -7.271 6.856 0.547 603 HD13 LEU 83 3HD1 LEU 83 -6.044 5.733 -0.044 604 HD21 LEU 83 3HD2 LEU 83 -6.139 6.195 -2.512 605 HD22 LEU 83 1HD2 LEU 83 -6.919 7.646 -1.885 606 HD23 LEU 83 2HD2 LEU 83 -7.686 6.723 -3.174 607 H PHE 84 H PHE 84 -8.885 3.213 1.782 608 HA PHE 84 HA PHE 84 -11.401 4.689 1.798 609 HB2 PHE 84 2HB PHE 84 -10.742 2.414 3.067 610 HB3 PHE 84 1HB PHE 84 -10.293 3.574 4.311 611 HD1 PHE 84 2HD PHE 84 -12.099 5.369 4.882 612 HD2 PHE 84 1HD PHE 84 -12.915 1.670 2.940 613 HE1 PHE 84 2HE PHE 84 -14.453 5.528 5.576 614 HE2 PHE 84 1HE PHE 84 -15.270 1.824 3.628 615 HZ PHE 84 HZ PHE 84 -16.043 3.753 4.949 616 H ARG 85 H ARG 85 -11.427 6.792 2.253 617 HA ARG 85 HA ARG 85 -9.137 7.938 3.710 618 HB2 ARG 85 2HB ARG 85 -11.013 9.796 2.404 619 HB3 ARG 85 1HB ARG 85 -9.255 9.783 2.415 620 HG2 ARG 85 2HG ARG 85 -9.245 8.040 0.714 621 HG3 ARG 85 1HG ARG 85 -11.016 8.046 0.703 622 HD2 ARG 85 2HD ARG 85 -9.164 10.276 -0.118 623 HD3 ARG 85 1HD ARG 85 -10.272 9.363 -1.144 624 HE ARG 85 HE ARG 85 -11.707 10.643 0.919 625 HH11 ARG 85 1HH1 ARG 85 -10.007 11.330 -2.042 626 HH12 ARG 85 2HH1 ARG 85 -10.927 12.754 -2.393 627 HH21 ARG 85 1HH2 ARG 85 -12.920 12.522 0.471 628 HH22 ARG 85 2HH2 ARG 85 -12.581 13.434 -0.964 629 H LEU 86 H LEU 86 -9.982 7.307 5.732 630 HA LEU 86 HA LEU 86 -12.218 7.447 7.049 631 HB2 LEU 86 2HB LEU 86 -10.446 7.074 8.432 632 HB3 LEU 86 1HB LEU 86 -9.520 8.418 7.795 633 HG LEU 86 HG LEU 86 -11.048 9.966 9.050 634 HD11 LEU 86 1HD1 LEU 86 -12.357 9.010 10.891 635 HD12 LEU 86 2HD1 LEU 86 -11.982 7.389 10.308 636 HD13 LEU 86 3HD1 LEU 86 -12.951 8.479 9.318 637 HD21 LEU 86 3HD2 LEU 86 -8.862 9.466 9.909 638 HD22 LEU 86 1HD2 LEU 86 -9.436 7.951 10.606 639 HD23 LEU 86 2HD2 LEU 86 -10.012 9.490 11.247 640 H VAL 87 H VAL 87 -10.405 10.503 6.669 641 HA VAL 87 HA VAL 87 -11.999 12.316 7.819 642 HB VAL 87 HB VAL 87 -11.519 13.706 5.547 643 HG11 VAL 87 1HG1 VAL 87 -10.754 14.345 7.741 644 HG12 VAL 87 2HG1 VAL 87 -9.391 14.375 6.619 645 HG13 VAL 87 3HG1 VAL 87 -9.574 13.033 7.750 646 HG21 VAL 87 3HG2 VAL 87 -10.651 11.804 4.344 647 HG22 VAL 87 1HG2 VAL 87 -9.503 11.467 5.644 648 HG23 VAL 87 2HG2 VAL 87 -9.338 12.936 4.678 649 H ASP 88 H ASP 88 -12.479 11.428 4.397 650 HA ASP 88 HA ASP 88 -15.214 12.441 4.608 651 HB2 ASP 88 2HB ASP 88 -13.417 11.899 2.254 652 HB3 ASP 88 1HB ASP 88 -15.138 12.227 2.066 653 H ASN 89 H ASN 89 -13.757 9.644 5.143 654 HA ASN 89 HA ASN 89 -14.326 7.448 5.130 655 HB2 ASN 89 2HB ASN 89 -16.258 8.445 6.341 656 HB3 ASN 89 1HB ASN 89 -17.140 8.496 4.820 657 HD21 ASN 89 1HD2 ASN 89 -15.789 6.445 7.291 658 HD22 ASN 89 2HD2 ASN 89 -16.674 5.021 6.875 659 H GLU 90 H GLU 90 -13.827 8.800 2.523 660 HA GLU 90 HA GLU 90 -15.550 7.642 0.575 661 HB2 GLU 90 2HB GLU 90 -12.719 8.650 0.258 662 HB3 GLU 90 1HB GLU 90 -13.842 8.314 -1.051 663 HG2 GLU 90 2HG GLU 90 -14.283 10.367 1.090 664 HG3 GLU 90 1HG GLU 90 -13.620 10.709 -0.504 665 H GLN 91 H GLN 91 -15.022 5.982 -0.939 666 HA GLN 91 HA GLN 91 -12.914 4.127 -0.122 667 HB2 GLN 91 2HB GLN 91 -15.107 3.424 0.899 668 HB3 GLN 91 1HB GLN 91 -15.725 3.206 -0.733 669 HG2 GLN 91 2HG GLN 91 -13.216 1.825 0.089 670 HG3 GLN 91 1HG GLN 91 -14.777 1.182 0.600 671 HE21 GLN 91 1HE2 GLN 91 -16.207 0.395 -0.959 672 HE22 GLN 91 2HE2 GLN 91 -15.684 -0.022 -2.551 673 H LEU 92 H LEU 92 -11.704 4.538 -1.912 674 HA LEU 92 HA LEU 92 -12.882 4.493 -4.553 675 HB2 LEU 92 2HB LEU 92 -9.997 4.710 -3.691 676 HB3 LEU 92 1HB LEU 92 -10.573 4.882 -5.335 677 HG LEU 92 HG LEU 92 -10.160 7.069 -4.512 678 HD11 LEU 92 1HD1 LEU 92 -13.125 6.549 -4.362 679 HD12 LEU 92 2HD1 LEU 92 -12.195 6.875 -5.825 680 HD13 LEU 92 3HD1 LEU 92 -12.363 8.123 -4.587 681 HD21 LEU 92 3HD2 LEU 92 -10.205 6.404 -2.101 682 HD22 LEU 92 1HD2 LEU 92 -11.962 6.523 -2.166 683 HD23 LEU 92 2HD2 LEU 92 -10.969 7.951 -2.459 684 H ASN 93 H ASN 93 -13.355 2.585 -5.447 685 HA ASN 93 HA ASN 93 -11.807 0.249 -4.669 686 HB2 ASN 93 2HB ASN 93 -13.594 -0.897 -6.192 687 HB3 ASN 93 1HB ASN 93 -14.055 -0.314 -4.600 688 HD21 ASN 93 1HD2 ASN 93 -15.325 1.544 -4.428 689 HD22 ASN 93 2HD2 ASN 93 -16.216 2.167 -5.770 690 H LEU 94 H LEU 94 -10.149 -0.370 -5.771 691 HA LEU 94 HA LEU 94 -9.934 0.245 -8.640 692 HB2 LEU 94 2HB LEU 94 -8.145 0.937 -6.873 693 HB3 LEU 94 1HB LEU 94 -7.706 -0.758 -6.878 694 HG LEU 94 HG LEU 94 -7.805 0.604 -9.507 695 HD11 LEU 94 1HD1 LEU 94 -6.702 2.288 -8.164 696 HD12 LEU 94 2HD1 LEU 94 -5.516 1.465 -9.177 697 HD13 LEU 94 3HD1 LEU 94 -5.638 1.070 -7.462 698 HD21 LEU 94 3HD2 LEU 94 -7.261 -1.771 -9.285 699 HD22 LEU 94 1HD2 LEU 94 -5.915 -1.364 -8.223 700 HD23 LEU 94 2HD2 LEU 94 -5.894 -0.851 -9.911 701 H GLU 95 H GLU 95 -11.429 -1.484 -9.062 702 HA GLU 95 HA GLU 95 -10.807 -4.168 -8.240 703 HB2 GLU 95 2HB GLU 95 -12.877 -3.270 -10.234 704 HB3 GLU 95 1HB GLU 95 -12.819 -4.803 -9.373 705 HG2 GLU 95 2HG GLU 95 -13.324 -3.763 -7.309 706 HG3 GLU 95 1HG GLU 95 -13.101 -2.151 -7.987 707 H ASP 96 H ASP 96 -11.602 -5.626 -10.436 708 HA ASP 96 HA ASP 96 -9.234 -6.219 -11.706 709 HB2 ASP 96 2HB ASP 96 -11.078 -7.774 -11.699 710 HB3 ASP 96 1HB ASP 96 -12.067 -6.676 -12.657 711 H GLU 97 H GLU 97 -11.714 -3.923 -12.704 712 HA GLU 97 HA GLU 97 -10.889 -3.454 -15.322 713 HB2 GLU 97 2HB GLU 97 -11.970 -1.259 -15.100 714 HB3 GLU 97 1HB GLU 97 -12.961 -2.535 -14.407 715 HG2 GLU 97 2HG GLU 97 -12.186 -1.912 -12.170 716 HG3 GLU 97 1HG GLU 97 -11.214 -0.621 -12.876 717 H ASP 98 H ASP 98 -9.285 -2.866 -12.427 718 HA ASP 98 HA ASP 98 -7.252 -1.263 -13.803 719 HB2 ASP 98 2HB ASP 98 -8.370 -0.816 -11.024 720 HB3 ASP 98 1HB ASP 98 -6.882 -0.068 -11.611 721 H ILE 99 H ILE 99 -7.989 -3.990 -11.912 722 HA ILE 99 HA ILE 99 -5.323 -4.270 -10.782 723 HB ILE 99 HB ILE 99 -7.786 -6.007 -10.584 724 HG12 ILE 99 2HG1 ILE 99 -7.757 -3.830 -9.363 725 HG13 ILE 99 1HG1 ILE 99 -7.926 -5.239 -8.326 726 HG21 ILE 99 1HG2 ILE 99 -5.043 -6.423 -9.413 727 HG22 ILE 99 2HG2 ILE 99 -5.951 -7.514 -10.460 728 HG23 ILE 99 3HG2 ILE 99 -6.493 -7.222 -8.806 729 HD11 ILE 99 3HD1 ILE 99 -6.433 -3.678 -7.306 730 HD12 ILE 99 1HD1 ILE 99 -5.445 -3.601 -8.765 731 HD13 ILE 99 2HD1 ILE 99 -5.510 -5.089 -7.820 732 H GLU 100 H GLU 100 -7.307 -5.622 -13.343 733 HA GLU 100 HA GLU 100 -5.862 -7.901 -13.978 734 HB2 GLU 100 2HB GLU 100 -8.045 -7.224 -14.979 735 HB3 GLU 100 1HB GLU 100 -7.188 -6.036 -15.951 736 HG2 GLU 100 2HG GLU 100 -7.658 -8.022 -17.245 737 HG3 GLU 100 1HG GLU 100 -5.919 -7.825 -17.023 738 H SER 101 H SER 101 -5.219 -4.543 -14.732 739 HA SER 101 HA SER 101 -2.576 -5.329 -15.748 740 HB2 SER 101 2HB SER 101 -2.694 -3.552 -17.447 741 HB3 SER 101 1HB SER 101 -3.978 -4.739 -17.681 742 HG SER 101 HG SER 101 -5.420 -3.259 -17.259 743 H ILE 102 H ILE 102 -3.177 -4.591 -13.130 744 HA ILE 102 HA ILE 102 -2.818 -1.845 -12.599 745 HB ILE 102 HB ILE 102 -3.733 -3.385 -10.932 746 HG12 ILE 102 2HG1 ILE 102 -2.230 -2.643 -8.990 747 HG13 ILE 102 1HG1 ILE 102 -1.218 -1.883 -10.211 748 HG21 ILE 102 1HG2 ILE 102 -2.172 -4.859 -9.673 749 HG22 ILE 102 2HG2 ILE 102 -0.937 -4.523 -10.887 750 HG23 ILE 102 3HG2 ILE 102 -2.424 -5.354 -11.347 751 HD11 ILE 102 3HD1 ILE 102 -2.742 -0.292 -9.194 752 HD12 ILE 102 1HD1 ILE 102 -4.115 -1.271 -9.709 753 HD13 ILE 102 2HD1 ILE 102 -3.085 -0.497 -10.912 754 H ASP 103 H ASP 103 -1.038 -0.658 -12.094 755 HA ASP 103 HA ASP 103 1.589 -1.937 -12.205 756 HB2 ASP 103 2HB ASP 103 0.773 0.478 -13.828 757 HB3 ASP 103 1HB ASP 103 2.437 -0.050 -13.606 758 H ALA 104 H ALA 104 3.211 -0.817 -11.010 759 HA ALA 104 HA ALA 104 2.435 0.342 -8.656 760 HB1 ALA 104 1HB ALA 104 5.003 0.859 -10.142 761 HB2 ALA 104 2HB ALA 104 4.683 -0.462 -9.014 762 HB3 ALA 104 3HB ALA 104 4.715 1.205 -8.435 763 H THR 105 H THR 105 2.984 1.880 -11.751 764 HA THR 105 HA THR 105 2.851 4.568 -10.930 765 HB THR 105 HB THR 105 2.027 3.343 -13.569 766 HG1 THR 105 1HG THR 105 4.144 3.047 -13.598 767 HG21 THR 105 3HG2 THR 105 2.460 5.649 -14.436 768 HG22 THR 105 1HG2 THR 105 2.533 6.198 -12.760 769 HG23 THR 105 2HG2 THR 105 1.040 5.503 -13.397 770 H LYS 106 H LYS 106 0.351 2.366 -12.171 771 HA LYS 106 HA LYS 106 -1.805 4.137 -12.077 772 HB2 LYS 106 2HB LYS 106 -1.810 1.133 -11.696 773 HB3 LYS 106 1HB LYS 106 -3.222 2.117 -12.064 774 HG2 LYS 106 2HG LYS 106 -2.317 2.710 -14.210 775 HG3 LYS 106 1HG LYS 106 -0.802 1.883 -13.842 776 HD2 LYS 106 2HD LYS 106 -2.083 0.432 -15.238 777 HD3 LYS 106 1HD LYS 106 -2.130 -0.236 -13.605 778 HE2 LYS 106 2HE LYS 106 -4.337 -0.360 -14.529 779 HE3 LYS 106 1HE LYS 106 -4.330 0.886 -13.281 780 HZ1 LYS 106 3HZ LYS 106 -3.900 2.473 -15.227 781 HZ2 LYS 106 1HZ LYS 106 -5.465 1.862 -15.029 782 HZ3 LYS 106 2HZ LYS 106 -4.446 1.211 -16.211 783 H LEU 107 H LEU 107 -1.005 1.585 -9.686 784 HA LEU 107 HA LEU 107 -2.890 2.207 -7.780 785 HB2 LEU 107 2HB LEU 107 -0.698 0.525 -7.914 786 HB3 LEU 107 1HB LEU 107 -0.283 1.603 -6.599 787 HG LEU 107 HG LEU 107 -2.507 -0.392 -6.772 788 HD11 LEU 107 1HD1 LEU 107 -0.494 -1.143 -5.734 789 HD12 LEU 107 2HD1 LEU 107 -1.686 -0.879 -4.463 790 HD13 LEU 107 3HD1 LEU 107 -0.405 0.304 -4.730 791 HD21 LEU 107 3HD2 LEU 107 -3.665 1.649 -6.167 792 HD22 LEU 107 1HD2 LEU 107 -2.461 1.997 -4.926 793 HD23 LEU 107 2HD2 LEU 107 -3.526 0.601 -4.757 794 H SER 108 H SER 108 0.461 3.416 -7.893 795 HA SER 108 HA SER 108 0.260 5.225 -5.773 796 HB2 SER 108 2HB SER 108 2.011 5.348 -8.238 797 HB3 SER 108 1HB SER 108 2.245 6.322 -6.785 798 HG SER 108 HG SER 108 2.373 4.237 -5.657 799 H ARG 109 H ARG 109 -0.754 5.467 -9.090 800 HA ARG 109 HA ARG 109 -1.068 8.287 -9.157 801 HB2 ARG 109 2HB ARG 109 -0.844 6.833 -11.175 802 HB3 ARG 109 1HB ARG 109 -2.445 6.197 -10.851 803 HG2 ARG 109 2HG ARG 109 -2.008 9.134 -11.223 804 HG3 ARG 109 1HG ARG 109 -2.179 8.051 -12.606 805 HD2 ARG 109 2HD ARG 109 -4.314 7.232 -11.482 806 HD3 ARG 109 1HD ARG 109 -4.169 8.648 -10.435 807 HE ARG 109 HE ARG 109 -3.973 9.512 -13.082 808 HH11 ARG 109 1HH1 ARG 109 -6.334 8.077 -10.956 809 HH12 ARG 109 2HH1 ARG 109 -7.687 8.779 -11.779 810 HH21 ARG 109 1HH2 ARG 109 -5.749 10.436 -14.169 811 HH22 ARG 109 2HH2 ARG 109 -7.355 10.118 -13.605 812 H PHE 110 H PHE 110 -3.552 5.738 -9.236 813 HA PHE 110 HA PHE 110 -5.786 7.180 -8.705 814 HB2 PHE 110 2HB PHE 110 -4.969 4.421 -7.844 815 HB3 PHE 110 1HB PHE 110 -6.508 5.091 -7.304 816 HD1 PHE 110 2HD PHE 110 -4.566 4.004 -10.230 817 HD2 PHE 110 1HD PHE 110 -8.346 5.332 -8.799 818 HE1 PHE 110 2HE PHE 110 -5.606 3.318 -12.351 819 HE2 PHE 110 1HE PHE 110 -9.394 4.647 -10.916 820 HZ PHE 110 HZ PHE 110 -8.022 3.639 -12.697 821 H ILE 111 H ILE 111 -3.446 5.989 -6.324 822 HA ILE 111 HA ILE 111 -4.753 6.988 -4.037 823 HB ILE 111 HB ILE 111 -1.808 6.507 -4.529 824 HG12 ILE 111 2HG1 ILE 111 -3.779 4.848 -2.957 825 HG13 ILE 111 1HG1 ILE 111 -3.424 4.565 -4.654 826 HG21 ILE 111 1HG2 ILE 111 -3.264 7.020 -1.940 827 HG22 ILE 111 2HG2 ILE 111 -2.097 8.096 -2.715 828 HG23 ILE 111 3HG2 ILE 111 -1.576 6.530 -2.086 829 HD11 ILE 111 3HD1 ILE 111 -1.479 4.408 -2.372 830 HD12 ILE 111 1HD1 ILE 111 -1.066 4.197 -4.072 831 HD13 ILE 111 2HD1 ILE 111 -2.153 3.055 -3.282 832 H GLU 112 H GLU 112 -2.017 8.321 -5.887 833 HA GLU 112 HA GLU 112 -1.790 10.757 -4.590 834 HB2 GLU 112 2HB GLU 112 -0.243 9.807 -6.344 835 HB3 GLU 112 1HB GLU 112 -1.413 10.323 -7.557 836 HG2 GLU 112 2HG GLU 112 -1.117 12.636 -6.885 837 HG3 GLU 112 1HG GLU 112 0.010 12.141 -5.622 838 H ILE 113 H ILE 113 -4.275 9.591 -6.582 839 HA ILE 113 HA ILE 113 -5.257 12.206 -7.359 840 HB ILE 113 HB ILE 113 -5.744 9.429 -8.168 841 HG12 ILE 113 2HG1 ILE 113 -6.010 10.473 -10.361 842 HG13 ILE 113 1HG1 ILE 113 -6.036 12.067 -9.614 843 HG21 ILE 113 1HG2 ILE 113 -7.995 9.920 -9.095 844 HG22 ILE 113 2HG2 ILE 113 -8.040 11.366 -8.085 845 HG23 ILE 113 3HG2 ILE 113 -7.943 9.770 -7.340 846 HD11 ILE 113 3HD1 ILE 113 -3.875 11.562 -10.626 847 HD12 ILE 113 1HD1 ILE 113 -3.713 10.155 -9.575 848 HD13 ILE 113 2HD1 ILE 113 -3.740 11.775 -8.880 849 H ASN 114 H ASN 114 -6.118 9.591 -5.132 850 HA ASN 114 HA ASN 114 -8.176 11.379 -4.009 851 HB2 ASN 114 2HB ASN 114 -8.284 8.375 -4.289 852 HB3 ASN 114 1HB ASN 114 -9.425 9.320 -3.332 853 HD21 ASN 114 1HD2 ASN 114 -9.488 11.554 -5.139 854 HD22 ASN 114 2HD2 ASN 114 -10.385 11.051 -6.528 855 H SER 115 H SER 115 -5.346 11.047 -3.226 856 HA SER 115 HA SER 115 -5.425 9.650 -0.702 857 HB2 SER 115 2HB SER 115 -3.115 10.473 -0.429 858 HB3 SER 115 1HB SER 115 -3.346 9.713 -2.005 859 HG SER 115 HG SER 115 -2.513 12.181 -1.470 860 H LEU 116 H LEU 116 -7.449 11.416 -0.664 861 HA LEU 116 HA LEU 116 -6.560 13.795 0.773 862 HB2 LEU 116 2HB LEU 116 -9.338 13.004 -0.085 863 HB3 LEU 116 1HB LEU 116 -8.850 14.561 0.559 864 HG LEU 116 HG LEU 116 -8.037 13.382 -2.096 865 HD11 LEU 116 1HD1 LEU 116 -10.334 14.227 -2.009 866 HD12 LEU 116 2HD1 LEU 116 -9.310 15.222 -3.042 867 HD13 LEU 116 3HD1 LEU 116 -9.739 15.778 -1.425 868 HD21 LEU 116 3HD2 LEU 116 -7.256 15.997 -0.812 869 HD22 LEU 116 1HD2 LEU 116 -6.932 15.550 -2.487 870 HD23 LEU 116 2HD2 LEU 116 -6.187 14.642 -1.171 Start of MODEL 23 1 H GLU 1 H GLU 1 22.389 20.998 0.131 2 HA GLU 1 HA GLU 1 20.053 19.486 0.672 3 HB2 GLU 1 2HB GLU 1 22.170 17.928 -0.825 4 HB3 GLU 1 1HB GLU 1 20.771 17.231 -0.023 5 HG2 GLU 1 2HG GLU 1 19.295 18.450 -1.545 6 HG3 GLU 1 1HG GLU 1 20.706 19.134 -2.355 7 H VAL 2 H VAL 2 22.497 20.904 1.762 8 HA VAL 2 HA VAL 2 23.592 18.824 3.508 9 HB VAL 2 HB VAL 2 25.168 20.599 4.263 10 HG11 VAL 2 1HG1 VAL 2 25.043 20.050 1.301 11 HG12 VAL 2 2HG1 VAL 2 25.857 19.078 2.528 12 HG13 VAL 2 3HG1 VAL 2 26.451 20.693 2.143 13 HG21 VAL 2 3HG2 VAL 2 25.307 22.677 2.955 14 HG22 VAL 2 1HG2 VAL 2 23.783 22.550 3.831 15 HG23 VAL 2 2HG2 VAL 2 23.834 22.224 2.098 16 H GLU 3 H GLU 3 21.019 20.866 3.504 17 HA GLU 3 HA GLU 3 20.874 20.827 6.429 18 HB2 GLU 3 2HB GLU 3 20.383 23.252 4.696 19 HB3 GLU 3 1HB GLU 3 19.875 23.136 6.373 20 HG2 GLU 3 2HG GLU 3 22.236 22.806 7.024 21 HG3 GLU 3 1HG GLU 3 22.700 23.047 5.341 22 H LYS 4 H LYS 4 19.652 19.248 4.282 23 HA LYS 4 HA LYS 4 16.853 19.702 5.026 24 HB2 LYS 4 2HB LYS 4 17.195 20.660 2.776 25 HB3 LYS 4 1HB LYS 4 17.795 19.106 2.214 26 HG2 LYS 4 2HG LYS 4 15.543 19.296 1.500 27 HG3 LYS 4 1HG LYS 4 15.573 18.126 2.821 28 HD2 LYS 4 2HD LYS 4 14.844 19.884 4.376 29 HD3 LYS 4 1HD LYS 4 14.786 21.032 3.036 30 HE2 LYS 4 2HE LYS 4 13.123 18.536 3.350 31 HE3 LYS 4 1HE LYS 4 12.564 20.201 3.510 32 HZ1 LYS 4 3HZ LYS 4 13.138 20.551 1.168 33 HZ2 LYS 4 1HZ LYS 4 11.982 19.330 1.355 34 HZ3 LYS 4 2HZ LYS 4 13.593 18.927 1.031 35 H SER 5 H SER 5 18.972 17.473 3.221 36 HA SER 5 HA SER 5 17.640 15.236 4.605 37 HB2 SER 5 2HB SER 5 18.895 15.250 1.848 38 HB3 SER 5 1HB SER 5 18.169 13.849 2.634 39 HG SER 5 HG SER 5 16.981 15.889 1.295 40 H SER 6 H SER 6 18.885 13.759 5.639 41 HA SER 6 HA SER 6 21.791 14.231 5.608 42 HB2 SER 6 2HB SER 6 20.071 13.054 7.804 43 HB3 SER 6 1HB SER 6 21.818 13.280 7.883 44 HG SER 6 HG SER 6 19.985 15.007 8.558 45 H ASP 7 H ASP 7 19.355 11.655 5.922 46 HA ASP 7 HA ASP 7 21.321 9.792 4.761 47 HB2 ASP 7 2HB ASP 7 20.228 7.986 6.060 48 HB3 ASP 7 1HB ASP 7 20.953 9.214 7.094 49 H GLY 8 H GLY 8 18.828 11.510 3.879 50 HA2 GLY 8 2HA GLY 8 17.485 11.293 2.001 51 HA3 GLY 8 1HA GLY 8 17.988 9.614 1.875 52 HA PRO 9 HA PRO 9 14.098 10.132 4.867 53 HB2 PRO 9 2HB PRO 9 12.624 11.973 3.078 54 HB3 PRO 9 1HB PRO 9 12.750 11.978 4.841 55 HG2 PRO 9 2HG PRO 9 14.016 13.808 3.360 56 HG3 PRO 9 1HG PRO 9 14.753 13.137 4.829 57 HD2 PRO 9 2HD PRO 9 15.300 12.480 1.959 58 HD3 PRO 9 1HD PRO 9 16.441 12.665 3.308 59 H GLY 10 H GLY 10 13.154 8.232 4.479 60 HA2 GLY 10 2HA GLY 10 11.787 7.858 1.894 61 HA3 GLY 10 1HA GLY 10 12.858 6.610 2.516 62 H ALA 11 H ALA 11 11.642 4.958 3.137 63 HA ALA 11 HA ALA 11 9.771 5.272 5.284 64 HB1 ALA 11 1HB ALA 11 8.367 5.909 3.358 65 HB2 ALA 11 2HB ALA 11 7.802 4.440 4.151 66 HB3 ALA 11 3HB ALA 11 8.685 4.334 2.631 67 H ALA 12 H ALA 12 9.998 2.913 2.630 68 HA ALA 12 HA ALA 12 10.472 0.690 2.592 69 HB1 ALA 12 1HB ALA 12 12.673 1.656 3.344 70 HB2 ALA 12 2HB ALA 12 12.402 -0.040 3.746 71 HB3 ALA 12 3HB ALA 12 12.216 1.201 4.986 72 H GLN 13 H GLN 13 8.540 -0.247 3.097 73 HA GLN 13 HA GLN 13 8.361 -1.728 5.494 74 HB2 GLN 13 2HB GLN 13 6.180 -0.603 6.264 75 HB3 GLN 13 1HB GLN 13 7.700 0.184 6.669 76 HG2 GLN 13 2HG GLN 13 7.303 1.528 4.495 77 HG3 GLN 13 1HG GLN 13 5.636 0.975 4.662 78 HE21 GLN 13 1HE2 GLN 13 6.677 3.671 4.813 79 HE22 GLN 13 2HE2 GLN 13 6.250 4.276 6.373 80 H GLU 14 H GLU 14 6.137 -2.795 5.688 81 HA GLU 14 HA GLU 14 5.097 -3.287 2.976 82 HB2 GLU 14 2HB GLU 14 4.736 -5.582 3.567 83 HB3 GLU 14 1HB GLU 14 6.392 -5.173 3.989 84 HG2 GLU 14 2HG GLU 14 5.695 -4.875 6.329 85 HG3 GLU 14 1HG GLU 14 4.062 -5.365 5.879 86 HA PRO 15 HA PRO 15 1.037 -2.233 4.325 87 HB2 PRO 15 2HB PRO 15 -0.507 -4.075 3.032 88 HB3 PRO 15 1HB PRO 15 0.241 -2.687 2.235 89 HG2 PRO 15 2HG PRO 15 1.114 -5.537 2.297 90 HG3 PRO 15 1HG PRO 15 1.161 -4.374 0.961 91 HD2 PRO 15 2HD PRO 15 3.344 -5.033 2.444 92 HD3 PRO 15 1HD PRO 15 3.134 -3.451 1.669 93 H THR 16 H THR 16 -0.521 -2.698 5.827 94 HA THR 16 HA THR 16 0.074 -4.628 7.795 95 HB THR 16 HB THR 16 -2.551 -3.175 7.414 96 HG1 THR 16 1HG THR 16 -0.486 -2.315 9.136 97 HG21 THR 16 3HG2 THR 16 -2.728 -3.434 9.861 98 HG22 THR 16 1HG2 THR 16 -1.242 -4.385 9.854 99 HG23 THR 16 2HG2 THR 16 -2.680 -4.988 9.030 100 H TRP 17 H TRP 17 -1.172 -6.428 8.500 101 HA TRP 17 HA TRP 17 -2.438 -7.868 6.286 102 HB2 TRP 17 2HB TRP 17 -1.254 -8.779 8.908 103 HB3 TRP 17 1HB TRP 17 -2.191 -9.849 7.871 104 HD1 TRP 17 HD TRP 17 1.091 -7.813 7.827 105 HE1 TRP 17 1HE TRP 17 2.698 -8.925 6.152 106 HE3 TRP 17 3HE TRP 17 -2.045 -11.378 5.933 107 HZ2 TRP 17 2HZ TRP 17 2.644 -11.033 4.276 108 HZ3 TRP 17 3HZ TRP 17 -1.192 -12.903 4.203 109 HH2 TRP 17 HH TRP 17 1.105 -12.732 3.390 110 H LEU 18 H LEU 18 -4.479 -6.918 6.321 111 HA LEU 18 HA LEU 18 -6.070 -6.970 8.753 112 HB2 LEU 18 2HB LEU 18 -6.882 -6.199 5.952 113 HB3 LEU 18 1HB LEU 18 -7.755 -5.849 7.432 114 HG LEU 18 HG LEU 18 -5.028 -4.757 6.754 115 HD11 LEU 18 1HD1 LEU 18 -7.752 -3.501 6.571 116 HD12 LEU 18 2HD1 LEU 18 -6.623 -3.804 5.253 117 HD13 LEU 18 3HD1 LEU 18 -6.234 -2.608 6.491 118 HD21 LEU 18 3HD2 LEU 18 -5.565 -3.203 8.649 119 HD22 LEU 18 1HD2 LEU 18 -5.264 -4.878 9.112 120 HD23 LEU 18 2HD2 LEU 18 -6.916 -4.268 9.042 121 H THR 19 H THR 19 -5.873 -9.353 8.897 122 HA THR 19 HA THR 19 -7.109 -11.038 6.964 123 HB THR 19 HB THR 19 -6.844 -12.827 8.583 124 HG1 THR 19 1HG THR 19 -5.881 -10.928 10.458 125 HG21 THR 19 3HG2 THR 19 -4.857 -12.088 7.339 126 HG22 THR 19 1HG2 THR 19 -4.433 -12.693 8.941 127 HG23 THR 19 2HG2 THR 19 -4.473 -10.957 8.637 128 H ASP 20 H ASP 20 -8.533 -8.862 9.000 129 HA ASP 20 HA ASP 20 -11.056 -10.327 8.866 130 HB2 ASP 20 2HB ASP 20 -9.923 -9.153 11.408 131 HB3 ASP 20 1HB ASP 20 -11.597 -9.664 11.221 132 H VAL 21 H VAL 21 -12.912 -9.054 8.853 133 HA VAL 21 HA VAL 21 -12.728 -6.583 7.585 134 HB VAL 21 HB VAL 21 -15.094 -7.492 9.227 135 HG11 VAL 21 1HG1 VAL 21 -14.877 -5.711 6.802 136 HG12 VAL 21 2HG1 VAL 21 -15.220 -5.190 8.453 137 HG13 VAL 21 3HG1 VAL 21 -16.380 -6.199 7.587 138 HG21 VAL 21 3HG2 VAL 21 -14.275 -8.260 6.432 139 HG22 VAL 21 1HG2 VAL 21 -15.897 -8.504 7.083 140 HG23 VAL 21 2HG2 VAL 21 -14.519 -9.328 7.814 141 HA PRO 22 HA PRO 22 -13.804 -4.555 11.928 142 HB2 PRO 22 2HB PRO 22 -12.661 -5.956 14.022 143 HB3 PRO 22 1HB PRO 22 -14.372 -6.007 13.591 144 HG2 PRO 22 2HG PRO 22 -12.183 -7.921 12.897 145 HG3 PRO 22 1HG PRO 22 -13.858 -8.258 13.382 146 HD2 PRO 22 2HD PRO 22 -13.106 -8.413 10.823 147 HD3 PRO 22 1HD PRO 22 -14.697 -7.762 11.270 148 H ALA 23 H ALA 23 -10.857 -6.548 11.723 149 HA ALA 23 HA ALA 23 -9.151 -4.612 12.869 150 HB1 ALA 23 1HB ALA 23 -8.308 -6.757 10.927 151 HB2 ALA 23 2HB ALA 23 -8.649 -7.069 12.631 152 HB3 ALA 23 3HB ALA 23 -7.334 -5.985 12.179 153 H ALA 24 H ALA 24 -10.209 -5.281 9.624 154 HA ALA 24 HA ALA 24 -8.400 -3.615 8.241 155 HB1 ALA 24 1HB ALA 24 -11.197 -4.508 7.522 156 HB2 ALA 24 2HB ALA 24 -9.681 -5.272 7.041 157 HB3 ALA 24 3HB ALA 24 -10.101 -3.674 6.419 158 H MET 25 H MET 25 -11.802 -3.075 9.130 159 HA MET 25 HA MET 25 -11.927 -0.369 8.439 160 HB2 MET 25 2HB MET 25 -13.531 -1.785 10.574 161 HB3 MET 25 1HB MET 25 -13.973 -0.297 9.749 162 HG2 MET 25 2HG MET 25 -14.072 -1.539 7.625 163 HG3 MET 25 1HG MET 25 -13.716 -3.023 8.504 164 HE1 MET 25 3HE MET 25 -16.876 -3.414 10.778 165 HE2 MET 25 1HE MET 25 -15.354 -2.625 11.196 166 HE3 MET 25 2HE MET 25 -15.345 -4.130 10.275 167 H GLU 26 H GLU 26 -10.715 -1.959 11.302 168 HA GLU 26 HA GLU 26 -10.741 0.342 12.978 169 HB2 GLU 26 2HB GLU 26 -9.446 -2.347 13.104 170 HB3 GLU 26 1HB GLU 26 -8.869 -1.080 14.178 171 HG2 GLU 26 2HG GLU 26 -11.334 -0.780 14.818 172 HG3 GLU 26 1HG GLU 26 -11.571 -2.354 14.057 173 H PHE 27 H PHE 27 -8.195 -1.240 11.067 174 HA PHE 27 HA PHE 27 -6.166 0.588 11.682 175 HB2 PHE 27 2HB PHE 27 -6.589 -1.496 9.634 176 HB3 PHE 27 1HB PHE 27 -5.453 -0.224 9.191 177 HD1 PHE 27 2HD PHE 27 -3.390 0.091 10.440 178 HD2 PHE 27 1HD PHE 27 -6.089 -3.057 11.395 179 HE1 PHE 27 2HE PHE 27 -1.636 -1.002 11.775 180 HE2 PHE 27 1HE PHE 27 -4.342 -4.154 12.733 181 HZ PHE 27 HZ PHE 27 -2.112 -3.128 12.923 182 H ILE 28 H ILE 28 -8.742 0.639 9.310 183 HA ILE 28 HA ILE 28 -7.785 2.940 7.899 184 HB ILE 28 HB ILE 28 -10.451 1.549 8.012 185 HG12 ILE 28 2HG1 ILE 28 -8.714 2.057 5.604 186 HG13 ILE 28 1HG1 ILE 28 -8.409 0.696 6.685 187 HG21 ILE 28 1HG2 ILE 28 -11.033 3.856 7.783 188 HG22 ILE 28 2HG2 ILE 28 -11.188 3.099 6.200 189 HG23 ILE 28 3HG2 ILE 28 -9.786 4.103 6.562 190 HD11 ILE 28 3HD1 ILE 28 -9.800 0.264 4.607 191 HD12 ILE 28 1HD1 ILE 28 -11.090 1.146 5.423 192 HD13 ILE 28 2HD1 ILE 28 -10.437 -0.331 6.139 193 H ALA 29 H ALA 29 -10.023 2.370 10.556 194 HA ALA 29 HA ALA 29 -10.928 5.056 10.779 195 HB1 ALA 29 1HB ALA 29 -12.273 3.231 11.616 196 HB2 ALA 29 2HB ALA 29 -11.858 4.319 12.942 197 HB3 ALA 29 3HB ALA 29 -11.009 2.781 12.760 198 H ALA 30 H ALA 30 -8.087 3.428 11.767 199 HA ALA 30 HA ALA 30 -7.471 5.396 13.842 200 HB1 ALA 30 1HB ALA 30 -7.013 3.031 14.295 201 HB2 ALA 30 2HB ALA 30 -5.542 4.004 14.335 202 HB3 ALA 30 3HB ALA 30 -5.893 2.994 12.933 203 H THR 31 H THR 31 -7.604 6.072 10.943 204 HA THR 31 HA THR 31 -5.318 7.740 10.823 205 HB THR 31 HB THR 31 -4.159 5.673 10.240 206 HG1 THR 31 1HG THR 31 -3.657 6.430 7.920 207 HG21 THR 31 3HG2 THR 31 -6.325 4.679 9.228 208 HG22 THR 31 1HG2 THR 31 -4.772 4.252 8.513 209 HG23 THR 31 2HG2 THR 31 -5.793 5.465 7.742 210 H GLU 32 H GLU 32 -5.322 9.150 8.997 211 HA GLU 32 HA GLU 32 -7.894 9.841 8.060 212 HB2 GLU 32 2HB GLU 32 -5.744 11.283 8.311 213 HB3 GLU 32 1HB GLU 32 -5.364 10.710 6.691 214 HG2 GLU 32 2HG GLU 32 -7.403 11.659 5.834 215 HG3 GLU 32 1HG GLU 32 -7.893 12.141 7.458 216 H VAL 33 H VAL 33 -5.189 9.212 5.844 217 HA VAL 33 HA VAL 33 -7.067 7.960 3.993 218 HB VAL 33 HB VAL 33 -4.159 8.581 3.492 219 HG11 VAL 33 1HG1 VAL 33 -6.497 8.097 1.644 220 HG12 VAL 33 2HG1 VAL 33 -5.111 7.032 1.905 221 HG13 VAL 33 3HG1 VAL 33 -4.884 8.599 1.129 222 HG21 VAL 33 3HG2 VAL 33 -6.579 10.315 3.022 223 HG22 VAL 33 1HG2 VAL 33 -4.958 10.649 2.410 224 HG23 VAL 33 2HG2 VAL 33 -5.258 10.631 4.148 225 H ALA 34 H ALA 34 -6.957 5.856 3.337 226 HA ALA 34 HA ALA 34 -4.769 4.186 4.323 227 HB1 ALA 34 1HB ALA 34 -7.680 3.752 4.946 228 HB2 ALA 34 2HB ALA 34 -6.333 3.908 6.075 229 HB3 ALA 34 3HB ALA 34 -6.476 2.469 5.061 230 H VAL 35 H VAL 35 -4.037 2.961 2.731 231 HA VAL 35 HA VAL 35 -5.900 2.222 0.578 232 HB VAL 35 HB VAL 35 -2.922 2.685 0.483 233 HG11 VAL 35 1HG1 VAL 35 -4.719 1.491 -1.635 234 HG12 VAL 35 2HG1 VAL 35 -3.393 0.674 -0.806 235 HG13 VAL 35 3HG1 VAL 35 -3.057 2.020 -1.895 236 HG21 VAL 35 3HG2 VAL 35 -5.294 3.906 -0.916 237 HG22 VAL 35 1HG2 VAL 35 -3.608 4.316 -1.245 238 HG23 VAL 35 2HG2 VAL 35 -4.307 4.658 0.340 239 H ILE 36 H ILE 36 -6.302 0.165 0.241 240 HA ILE 36 HA ILE 36 -4.575 -1.831 1.527 241 HB ILE 36 HB ILE 36 -7.585 -1.793 1.695 242 HG12 ILE 36 2HG1 ILE 36 -5.626 -1.463 3.963 243 HG13 ILE 36 1HG1 ILE 36 -6.228 -0.083 3.055 244 HG21 ILE 36 1HG2 ILE 36 -6.786 -4.051 1.651 245 HG22 ILE 36 2HG2 ILE 36 -7.214 -3.654 3.316 246 HG23 ILE 36 3HG2 ILE 36 -5.520 -3.682 2.822 247 HD11 ILE 36 3HD1 ILE 36 -8.519 -0.727 3.681 248 HD12 ILE 36 1HD1 ILE 36 -7.492 -0.340 5.062 249 HD13 ILE 36 2HD1 ILE 36 -7.849 -2.023 4.669 250 H GLY 37 H GLY 37 -4.259 -3.673 0.448 251 HA2 GLY 37 2HA GLY 37 -5.499 -3.895 -2.197 252 HA3 GLY 37 1HA GLY 37 -3.999 -4.657 -1.704 253 H PHE 38 H PHE 38 -7.428 -4.948 -1.874 254 HA PHE 38 HA PHE 38 -7.542 -7.346 -0.246 255 HB2 PHE 38 2HB PHE 38 -9.640 -6.015 -1.980 256 HB3 PHE 38 1HB PHE 38 -9.927 -7.386 -0.915 257 HD1 PHE 38 1HD PHE 38 -8.715 -6.828 1.544 258 HD2 PHE 38 2HD PHE 38 -10.552 -4.083 -1.136 259 HE1 PHE 38 1HE PHE 38 -9.160 -5.303 3.420 260 HE2 PHE 38 2HE PHE 38 -11.003 -2.554 0.739 261 HZ PHE 38 HZ PHE 38 -10.304 -3.162 3.018 262 H PHE 39 H PHE 39 -6.220 -8.824 -1.244 263 HA PHE 39 HA PHE 39 -6.910 -9.577 -4.005 264 HB2 PHE 39 2HB PHE 39 -4.357 -10.236 -2.547 265 HB3 PHE 39 1HB PHE 39 -4.680 -10.380 -4.273 266 HD1 PHE 39 1HD PHE 39 -5.857 -7.843 -4.982 267 HD2 PHE 39 2HD PHE 39 -2.684 -8.680 -2.273 268 HE1 PHE 39 1HE PHE 39 -4.953 -5.589 -5.352 269 HE2 PHE 39 2HE PHE 39 -1.777 -6.423 -2.637 270 HZ PHE 39 HZ PHE 39 -2.911 -4.874 -4.177 271 H GLN 40 H GLN 40 -7.318 -11.676 -4.542 272 HA GLN 40 HA GLN 40 -7.938 -13.485 -2.346 273 HB2 GLN 40 2HB GLN 40 -8.381 -13.745 -5.332 274 HB3 GLN 40 1HB GLN 40 -8.923 -14.909 -4.131 275 HG2 GLN 40 2HG GLN 40 -10.351 -13.199 -3.124 276 HG3 GLN 40 1HG GLN 40 -9.816 -12.043 -4.341 277 HE21 GLN 40 1HE2 GLN 40 -9.763 -14.065 -6.451 278 HE22 GLN 40 2HE2 GLN 40 -11.412 -14.357 -6.873 279 H ASP 41 H ASP 41 -5.380 -12.725 -4.276 280 HA ASP 41 HA ASP 41 -3.932 -15.143 -3.572 281 HB2 ASP 41 2HB ASP 41 -4.971 -15.450 -5.893 282 HB3 ASP 41 1HB ASP 41 -3.896 -14.158 -6.431 283 H LEU 42 H LEU 42 -1.988 -14.527 -2.792 284 HA LEU 42 HA LEU 42 -1.131 -11.789 -3.308 285 HB2 LEU 42 2HB LEU 42 -0.126 -13.815 -1.314 286 HB3 LEU 42 1HB LEU 42 0.481 -12.176 -1.468 287 HG LEU 42 HG LEU 42 -2.324 -12.958 -0.682 288 HD11 LEU 42 1HD1 LEU 42 -1.711 -12.005 1.492 289 HD12 LEU 42 2HD1 LEU 42 -0.062 -11.761 0.912 290 HD13 LEU 42 3HD1 LEU 42 -0.708 -13.394 1.073 291 HD21 LEU 42 3HD2 LEU 42 -2.498 -10.493 -0.160 292 HD22 LEU 42 1HD2 LEU 42 -2.486 -10.917 -1.872 293 HD23 LEU 42 2HD2 LEU 42 -1.028 -10.275 -1.111 294 H GLU 43 H GLU 43 -0.843 -13.279 -5.523 295 HA GLU 43 HA GLU 43 2.075 -13.387 -5.795 296 HB2 GLU 43 2HB GLU 43 0.209 -15.438 -7.002 297 HB3 GLU 43 1HB GLU 43 1.957 -15.391 -7.167 298 HG2 GLU 43 2HG GLU 43 2.178 -15.766 -4.761 299 HG3 GLU 43 1HG GLU 43 0.424 -15.856 -4.625 300 H ILE 44 H ILE 44 -0.532 -11.812 -6.572 301 HA ILE 44 HA ILE 44 -0.191 -11.658 -9.464 302 HB ILE 44 HB ILE 44 -2.027 -9.857 -9.176 303 HG12 ILE 44 2HG1 ILE 44 -2.687 -11.314 -6.662 304 HG13 ILE 44 1HG1 ILE 44 -1.532 -9.995 -6.589 305 HG21 ILE 44 1HG2 ILE 44 -2.742 -12.696 -8.461 306 HG22 ILE 44 2HG2 ILE 44 -2.286 -12.175 -10.086 307 HG23 ILE 44 3HG2 ILE 44 -3.734 -11.517 -9.323 308 HD11 ILE 44 3HD1 ILE 44 -3.303 -8.604 -7.756 309 HD12 ILE 44 1HD1 ILE 44 -3.587 -9.041 -6.071 310 HD13 ILE 44 2HD1 ILE 44 -4.413 -9.916 -7.360 311 HA PRO 45 HA PRO 45 2.412 -8.108 -9.800 312 HB2 PRO 45 2HB PRO 45 0.163 -6.858 -11.322 313 HB3 PRO 45 1HB PRO 45 1.870 -6.984 -11.751 314 HG2 PRO 45 2HG PRO 45 0.095 -8.586 -12.889 315 HG3 PRO 45 1HG PRO 45 1.676 -9.217 -12.388 316 HD2 PRO 45 2HD PRO 45 -0.997 -9.566 -11.107 317 HD3 PRO 45 1HD PRO 45 0.359 -10.705 -11.222 318 H ALA 46 H ALA 46 -0.912 -7.666 -8.804 319 HA ALA 46 HA ALA 46 -0.763 -4.975 -7.998 320 HB1 ALA 46 1HB ALA 46 -2.840 -5.330 -6.914 321 HB2 ALA 46 2HB ALA 46 -2.548 -7.065 -6.788 322 HB3 ALA 46 3HB ALA 46 -2.843 -6.335 -8.367 323 H VAL 47 H VAL 47 -0.057 -7.978 -6.258 324 HA VAL 47 HA VAL 47 0.091 -6.876 -3.691 325 HB VAL 47 HB VAL 47 1.857 -9.161 -4.517 326 HG11 VAL 47 1HG1 VAL 47 1.296 -9.967 -2.260 327 HG12 VAL 47 2HG1 VAL 47 0.329 -8.518 -1.996 328 HG13 VAL 47 3HG1 VAL 47 2.071 -8.384 -2.232 329 HG21 VAL 47 3HG2 VAL 47 -1.097 -9.332 -3.939 330 HG22 VAL 47 1HG2 VAL 47 -0.009 -10.677 -4.279 331 HG23 VAL 47 2HG2 VAL 47 -0.365 -9.493 -5.535 332 HA PRO 48 HA PRO 48 4.908 -6.342 -4.376 333 HB2 PRO 48 2HB PRO 48 5.007 -6.111 -7.331 334 HB3 PRO 48 1HB PRO 48 6.128 -6.922 -6.230 335 HG2 PRO 48 2HG PRO 48 4.478 -8.328 -7.777 336 HG3 PRO 48 1HG PRO 48 4.832 -8.842 -6.115 337 HD2 PRO 48 2HD PRO 48 2.415 -7.446 -7.195 338 HD3 PRO 48 1HD PRO 48 2.520 -8.757 -6.009 339 H ILE 49 H ILE 49 2.788 -5.012 -6.869 340 HA ILE 49 HA ILE 49 3.926 -2.462 -7.033 341 HB ILE 49 HB ILE 49 1.298 -3.638 -7.775 342 HG12 ILE 49 2HG1 ILE 49 3.040 -1.963 -9.521 343 HG13 ILE 49 1HG1 ILE 49 3.582 -3.577 -9.078 344 HG21 ILE 49 1HG2 ILE 49 1.828 -0.723 -7.483 345 HG22 ILE 49 2HG2 ILE 49 0.380 -1.646 -7.087 346 HG23 ILE 49 3HG2 ILE 49 0.778 -1.307 -8.771 347 HD11 ILE 49 3HD1 ILE 49 1.802 -4.597 -10.179 348 HD12 ILE 49 1HD1 ILE 49 2.319 -3.308 -11.264 349 HD13 ILE 49 2HD1 ILE 49 0.878 -3.098 -10.268 350 H LEU 50 H LEU 50 1.514 -3.802 -4.848 351 HA LEU 50 HA LEU 50 0.840 -1.278 -3.674 352 HB2 LEU 50 2HB LEU 50 -0.767 -3.079 -3.594 353 HB3 LEU 50 1HB LEU 50 0.367 -4.110 -2.753 354 HG LEU 50 HG LEU 50 0.292 -2.481 -0.833 355 HD11 LEU 50 1HD1 LEU 50 -0.539 -0.559 -2.133 356 HD12 LEU 50 2HD1 LEU 50 -1.530 -0.904 -0.717 357 HD13 LEU 50 3HD1 LEU 50 -2.088 -1.380 -2.321 358 HD21 LEU 50 3HD2 LEU 50 -2.436 -3.587 -1.452 359 HD22 LEU 50 1HD2 LEU 50 -1.626 -3.437 0.110 360 HD23 LEU 50 2HD2 LEU 50 -1.066 -4.633 -1.060 361 H HIS 51 H HIS 51 2.817 -4.055 -2.665 362 HA HIS 51 HA HIS 51 3.758 -3.041 -0.253 363 HB2 HIS 51 2HB HIS 51 4.976 -4.915 -2.274 364 HB3 HIS 51 1HB HIS 51 5.861 -4.446 -0.828 365 HD1 HIS 51 1HD HIS 51 2.323 -5.732 -1.470 366 HD2 HIS 51 2HD HIS 51 5.569 -6.342 1.050 367 HE1 HIS 51 1HE HIS 51 1.624 -7.571 0.096 368 HE2 HIS 51 2HE HIS 51 3.613 -7.942 1.595 369 H SER 52 H SER 52 4.520 -2.209 -3.516 370 HA SER 52 HA SER 52 6.957 -0.797 -2.874 371 HB2 SER 52 2HB SER 52 6.713 -1.852 -5.073 372 HB3 SER 52 1HB SER 52 5.310 -0.839 -5.415 373 HG SER 52 HG SER 52 6.897 0.294 -6.316 374 H MET 53 H MET 53 3.638 0.084 -3.828 375 HA MET 53 HA MET 53 3.980 2.857 -3.776 376 HB2 MET 53 2HB MET 53 1.680 3.030 -3.940 377 HB3 MET 53 1HB MET 53 1.949 1.407 -4.551 378 HG2 MET 53 2HG MET 53 0.145 1.141 -3.148 379 HG3 MET 53 1HG MET 53 1.501 0.658 -2.135 380 HE1 MET 53 3HE MET 53 -1.193 1.221 -0.776 381 HE2 MET 53 1HE MET 53 -0.779 2.330 0.530 382 HE3 MET 53 2HE MET 53 0.268 0.958 0.174 383 H VAL 54 H VAL 54 3.676 0.517 -1.278 384 HA VAL 54 HA VAL 54 2.817 1.977 0.898 385 HB VAL 54 HB VAL 54 4.829 -0.250 0.712 386 HG11 VAL 54 1HG1 VAL 54 3.673 0.994 3.195 387 HG12 VAL 54 2HG1 VAL 54 5.369 0.985 2.711 388 HG13 VAL 54 3HG1 VAL 54 4.565 -0.526 3.147 389 HG21 VAL 54 3HG2 VAL 54 2.799 -1.335 1.987 390 HG22 VAL 54 1HG2 VAL 54 2.814 -1.208 0.228 391 HG23 VAL 54 2HG2 VAL 54 1.906 -0.042 1.189 392 H GLN 55 H GLN 55 6.132 1.625 -0.327 393 HA GLN 55 HA GLN 55 7.215 3.432 1.620 394 HB2 GLN 55 2HB GLN 55 8.567 2.581 -0.917 395 HB3 GLN 55 1HB GLN 55 9.290 3.023 0.624 396 HG2 GLN 55 2HG GLN 55 8.504 0.982 1.630 397 HG3 GLN 55 1HG GLN 55 7.636 0.555 0.154 398 HE21 GLN 55 1HE2 GLN 55 9.734 -0.896 1.583 399 HE22 GLN 55 2HE2 GLN 55 11.008 -1.138 0.440 400 H LYS 56 H LYS 56 5.528 3.794 -1.258 401 HA LYS 56 HA LYS 56 6.782 6.321 -1.997 402 HB2 LYS 56 2HB LYS 56 4.461 4.841 -3.249 403 HB3 LYS 56 1HB LYS 56 5.238 6.275 -3.905 404 HG2 LYS 56 2HG LYS 56 7.300 5.055 -4.222 405 HG3 LYS 56 1HG LYS 56 6.589 3.617 -3.484 406 HD2 LYS 56 2HD LYS 56 6.488 3.312 -5.840 407 HD3 LYS 56 1HD LYS 56 4.847 3.686 -5.304 408 HE2 LYS 56 2HE LYS 56 5.198 4.983 -7.245 409 HE3 LYS 56 1HE LYS 56 5.355 6.094 -5.885 410 HZ1 LYS 56 3HZ LYS 56 7.745 5.935 -6.053 411 HZ2 LYS 56 1HZ LYS 56 7.096 6.424 -7.537 412 HZ3 LYS 56 2HZ LYS 56 7.621 4.830 -7.327 413 H PHE 57 H PHE 57 4.203 5.107 -0.148 414 HA PHE 57 HA PHE 57 3.178 7.827 0.235 415 HB2 PHE 57 2HB PHE 57 1.599 5.359 -0.421 416 HB3 PHE 57 1HB PHE 57 0.865 6.711 0.438 417 HD1 PHE 57 2HD PHE 57 0.515 8.844 -0.665 418 HD2 PHE 57 1HD PHE 57 2.196 5.533 -2.744 419 HE1 PHE 57 2HE PHE 57 0.087 9.977 -2.806 420 HE2 PHE 57 1HE PHE 57 1.771 6.662 -4.889 421 HZ PHE 57 HZ PHE 57 0.714 8.885 -4.922 422 HA PRO 58 HA PRO 58 4.323 5.480 4.218 423 HB2 PRO 58 2HB PRO 58 5.349 7.848 5.288 424 HB3 PRO 58 1HB PRO 58 6.304 6.543 4.579 425 HG2 PRO 58 2HG PRO 58 5.359 9.095 3.338 426 HG3 PRO 58 1HG PRO 58 6.920 8.264 3.152 427 HD2 PRO 58 2HD PRO 58 5.086 8.107 1.237 428 HD3 PRO 58 1HD PRO 58 6.029 6.672 1.689 429 H GLY 59 H GLY 59 3.088 8.770 3.659 430 HA2 GLY 59 2HA GLY 59 1.720 9.089 6.082 431 HA3 GLY 59 1HA GLY 59 1.308 9.899 4.575 432 H VAL 60 H VAL 60 0.703 7.657 3.026 433 HA VAL 60 HA VAL 60 -1.990 7.169 3.755 434 HB VAL 60 HB VAL 60 -0.168 6.046 1.640 435 HG11 VAL 60 1HG1 VAL 60 -3.032 5.218 2.119 436 HG12 VAL 60 2HG1 VAL 60 -1.611 4.193 2.322 437 HG13 VAL 60 3HG1 VAL 60 -2.052 4.780 0.719 438 HG21 VAL 60 3HG2 VAL 60 -1.009 8.262 1.242 439 HG22 VAL 60 1HG2 VAL 60 -2.660 7.743 1.584 440 HG23 VAL 60 2HG2 VAL 60 -1.824 7.142 0.151 441 H SER 61 H SER 61 -2.964 5.338 4.624 442 HA SER 61 HA SER 61 -1.240 3.688 6.245 443 HB2 SER 61 2HB SER 61 -3.399 4.537 7.115 444 HB3 SER 61 1HB SER 61 -4.242 3.556 5.919 445 HG SER 61 HG SER 61 -2.470 2.515 7.870 446 H PHE 62 H PHE 62 -0.113 2.277 5.044 447 HA PHE 62 HA PHE 62 -1.115 0.858 2.817 448 HB2 PHE 62 2HB PHE 62 0.930 -0.668 3.385 449 HB3 PHE 62 1HB PHE 62 1.203 0.987 2.843 450 HD1 PHE 62 2HD PHE 62 1.213 -1.249 5.767 451 HD2 PHE 62 1HD PHE 62 2.150 2.628 4.283 452 HE1 PHE 62 2HE PHE 62 2.503 -0.784 7.808 453 HE2 PHE 62 1HE PHE 62 3.439 3.102 6.323 454 HZ PHE 62 HZ PHE 62 3.619 1.394 8.088 455 H GLY 63 H GLY 63 -2.278 -0.940 2.674 456 HA2 GLY 63 2HA GLY 63 -2.341 -2.814 4.916 457 HA3 GLY 63 1HA GLY 63 -3.867 -2.085 4.433 458 H ILE 64 H ILE 64 -3.438 -4.830 4.385 459 HA ILE 64 HA ILE 64 -4.109 -5.388 1.655 460 HB ILE 64 HB ILE 64 -1.482 -5.435 1.970 461 HG12 ILE 64 2HG1 ILE 64 -2.996 -7.576 0.473 462 HG13 ILE 64 1HG1 ILE 64 -2.703 -5.939 -0.101 463 HG21 ILE 64 1HG2 ILE 64 -1.464 -6.995 3.837 464 HG22 ILE 64 2HG2 ILE 64 -0.636 -7.678 2.439 465 HG23 ILE 64 3HG2 ILE 64 -2.266 -8.209 2.844 466 HD11 ILE 64 3HD1 ILE 64 -0.296 -6.385 -0.094 467 HD12 ILE 64 1HD1 ILE 64 -1.178 -7.496 -1.142 468 HD13 ILE 64 2HD1 ILE 64 -0.612 -8.038 0.437 469 H SER 65 H SER 65 -5.241 -7.320 1.448 470 HA SER 65 HA SER 65 -5.381 -9.109 3.737 471 HB2 SER 65 2HB SER 65 -7.038 -7.461 4.369 472 HB3 SER 65 1HB SER 65 -7.781 -7.544 2.773 473 HG SER 65 HG SER 65 -7.577 -9.965 4.060 474 H THR 66 H THR 66 -6.585 -11.052 3.332 475 HA THR 66 HA THR 66 -7.201 -11.610 0.527 476 HB THR 66 HB THR 66 -5.998 -13.751 0.610 477 HG1 THR 66 1HG THR 66 -4.675 -14.229 2.351 478 HG21 THR 66 3HG2 THR 66 -3.786 -12.889 0.326 479 HG22 THR 66 1HG2 THR 66 -4.159 -11.469 1.303 480 HG23 THR 66 2HG2 THR 66 -4.924 -11.680 -0.272 481 H ASP 67 H ASP 67 -8.222 -11.565 3.585 482 HA ASP 67 HA ASP 67 -9.467 -14.114 3.868 483 HB2 ASP 67 2HB ASP 67 -8.909 -12.543 5.760 484 HB3 ASP 67 1HB ASP 67 -10.250 -11.530 5.231 485 H SER 68 H SER 68 -11.430 -14.796 3.225 486 HA SER 68 HA SER 68 -12.750 -13.562 1.105 487 HB2 SER 68 2HB SER 68 -12.936 -15.959 1.561 488 HB3 SER 68 1HB SER 68 -13.818 -15.623 3.051 489 HG SER 68 HG SER 68 -14.642 -15.203 0.381 490 H GLU 69 H GLU 69 -13.670 -13.684 4.547 491 HA GLU 69 HA GLU 69 -16.079 -12.361 4.440 492 HB2 GLU 69 2HB GLU 69 -14.002 -12.014 6.598 493 HB3 GLU 69 1HB GLU 69 -15.732 -11.739 6.750 494 HG2 GLU 69 2HG GLU 69 -16.128 -14.125 6.309 495 HG3 GLU 69 1HG GLU 69 -14.385 -14.381 6.240 496 H VAL 70 H VAL 70 -12.847 -10.911 4.586 497 HA VAL 70 HA VAL 70 -13.831 -8.243 4.696 498 HB VAL 70 HB VAL 70 -11.107 -9.311 3.945 499 HG11 VAL 70 1HG1 VAL 70 -10.307 -6.997 4.281 500 HG12 VAL 70 2HG1 VAL 70 -11.986 -6.464 4.403 501 HG13 VAL 70 3HG1 VAL 70 -11.387 -7.160 2.894 502 HG21 VAL 70 3HG2 VAL 70 -11.341 -9.762 6.195 503 HG22 VAL 70 1HG2 VAL 70 -12.355 -8.349 6.476 504 HG23 VAL 70 2HG2 VAL 70 -10.623 -8.149 6.228 505 H LEU 71 H LEU 71 -12.335 -10.146 2.091 506 HA LEU 71 HA LEU 71 -12.658 -8.251 0.064 507 HB2 LEU 71 2HB LEU 71 -12.285 -11.214 0.120 508 HB3 LEU 71 1HB LEU 71 -12.702 -10.440 -1.399 509 HG LEU 71 HG LEU 71 -10.703 -9.152 -1.407 510 HD11 LEU 71 1HD1 LEU 71 -9.065 -9.257 0.440 511 HD12 LEU 71 2HD1 LEU 71 -10.247 -10.152 1.397 512 HD13 LEU 71 3HD1 LEU 71 -10.588 -8.495 0.900 513 HD21 LEU 71 3HD2 LEU 71 -8.964 -10.879 -1.326 514 HD22 LEU 71 1HD2 LEU 71 -10.422 -11.445 -2.142 515 HD23 LEU 71 2HD2 LEU 71 -10.084 -11.954 -0.488 516 H THR 72 H THR 72 -14.949 -10.084 1.737 517 HA THR 72 HA THR 72 -16.954 -9.982 -0.378 518 HB THR 72 HB THR 72 -17.098 -11.027 2.460 519 HG1 THR 72 1HG THR 72 -16.063 -12.097 0.315 520 HG21 THR 72 3HG2 THR 72 -19.293 -10.286 1.853 521 HG22 THR 72 1HG2 THR 72 -19.265 -12.040 1.677 522 HG23 THR 72 2HG2 THR 72 -19.157 -11.006 0.249 523 H HIS 73 H HIS 73 -16.269 -8.588 2.791 524 HA HIS 73 HA HIS 73 -18.619 -7.098 3.102 525 HB2 HIS 73 2HB HIS 73 -16.941 -7.527 4.894 526 HB3 HIS 73 1HB HIS 73 -15.852 -6.394 4.104 527 HD1 HIS 73 1HD HIS 73 -18.860 -6.564 6.274 528 HD2 HIS 73 2HD HIS 73 -16.594 -3.668 4.338 529 HE1 HIS 73 1HE HIS 73 -19.584 -4.370 7.266 530 HE2 HIS 73 2HE HIS 73 -18.249 -2.626 6.030 531 H TYR 74 H TYR 74 -15.578 -6.386 1.475 532 HA TYR 74 HA TYR 74 -16.541 -3.741 0.705 533 HB2 TYR 74 2HB TYR 74 -13.895 -5.146 0.348 534 HB3 TYR 74 1HB TYR 74 -14.248 -3.587 -0.389 535 HD1 TYR 74 2HD TYR 74 -13.987 -5.338 2.877 536 HD2 TYR 74 1HD TYR 74 -14.021 -1.599 0.847 537 HE1 TYR 74 2HE TYR 74 -13.298 -4.211 4.951 538 HE2 TYR 74 1HE TYR 74 -13.331 -0.463 2.915 539 HH TYR 74 HH TYR 74 -12.182 -2.136 5.637 540 H ASN 75 H ASN 75 -17.319 -6.602 -0.320 541 HA ASN 75 HA ASN 75 -18.127 -7.494 -2.245 542 HB2 ASN 75 2HB ASN 75 -19.182 -5.159 -2.232 543 HB3 ASN 75 1HB ASN 75 -17.992 -4.750 -3.463 544 HD21 ASN 75 1HD2 ASN 75 -19.559 -4.413 -5.027 545 HD22 ASN 75 2HD2 ASN 75 -20.434 -5.712 -5.754 546 H ILE 76 H ILE 76 -15.169 -7.049 -1.867 547 HA ILE 76 HA ILE 76 -13.908 -6.499 -4.306 548 HB ILE 76 HB ILE 76 -12.946 -8.445 -2.208 549 HG12 ILE 76 2HG1 ILE 76 -13.549 -6.350 -1.140 550 HG13 ILE 76 1HG1 ILE 76 -11.800 -6.503 -1.199 551 HG21 ILE 76 1HG2 ILE 76 -11.575 -8.649 -4.096 552 HG22 ILE 76 2HG2 ILE 76 -10.700 -7.569 -3.010 553 HG23 ILE 76 3HG2 ILE 76 -11.578 -6.913 -4.391 554 HD11 ILE 76 3HD1 ILE 76 -13.436 -4.873 -3.126 555 HD12 ILE 76 1HD1 ILE 76 -11.677 -4.947 -3.023 556 HD13 ILE 76 2HD1 ILE 76 -12.608 -4.234 -1.706 557 H THR 77 H THR 77 -13.895 -7.563 -6.169 558 HA THR 77 HA THR 77 -14.099 -10.476 -6.190 559 HB THR 77 HB THR 77 -15.758 -10.391 -8.061 560 HG1 THR 77 1HG THR 77 -15.428 -8.145 -8.577 561 HG21 THR 77 3HG2 THR 77 -17.713 -10.006 -6.638 562 HG22 THR 77 1HG2 THR 77 -16.687 -9.216 -5.441 563 HG23 THR 77 2HG2 THR 77 -16.473 -10.931 -5.793 564 H GLY 78 H GLY 78 -11.756 -9.545 -6.615 565 HA2 GLY 78 2HA GLY 78 -10.761 -10.383 -8.942 566 HA3 GLY 78 1HA GLY 78 -11.342 -8.789 -9.396 567 H ASN 79 H ASN 79 -9.806 -9.854 -6.375 568 HA ASN 79 HA ASN 79 -8.019 -9.022 -5.230 569 HB2 ASN 79 2HB ASN 79 -6.889 -8.819 -8.028 570 HB3 ASN 79 1HB ASN 79 -5.948 -8.795 -6.540 571 HD21 ASN 79 1HD2 ASN 79 -7.849 -10.741 -8.703 572 HD22 ASN 79 2HD2 ASN 79 -7.356 -12.275 -8.079 573 H THR 80 H THR 80 -9.972 -7.172 -5.628 574 HA THR 80 HA THR 80 -9.131 -4.742 -6.809 575 HB THR 80 HB THR 80 -11.219 -5.261 -4.676 576 HG1 THR 80 1HG THR 80 -11.134 -5.814 -7.310 577 HG21 THR 80 3HG2 THR 80 -12.215 -3.142 -5.328 578 HG22 THR 80 1HG2 THR 80 -10.921 -2.870 -6.494 579 HG23 THR 80 2HG2 THR 80 -10.561 -2.888 -4.772 580 H ILE 81 H ILE 81 -8.539 -2.783 -5.818 581 HA ILE 81 HA ILE 81 -7.344 -2.999 -3.127 582 HB ILE 81 HB ILE 81 -6.408 -1.352 -5.486 583 HG12 ILE 81 2HG1 ILE 81 -5.090 -3.585 -3.928 584 HG13 ILE 81 1HG1 ILE 81 -5.730 -3.708 -5.563 585 HG21 ILE 81 1HG2 ILE 81 -5.358 -1.376 -2.659 586 HG22 ILE 81 2HG2 ILE 81 -6.241 -0.056 -3.425 587 HG23 ILE 81 3HG2 ILE 81 -4.645 -0.512 -4.019 588 HD11 ILE 81 3HD1 ILE 81 -3.412 -2.012 -4.673 589 HD12 ILE 81 1HD1 ILE 81 -4.072 -2.063 -6.308 590 HD13 ILE 81 2HD1 ILE 81 -3.332 -3.505 -5.610 591 H CYS 82 H CYS 82 -8.481 -1.837 -1.687 592 HA CYS 82 HA CYS 82 -10.083 0.397 -2.704 593 HB2 CYS 82 2HB CYS 82 -10.357 -1.216 -0.179 594 HB3 CYS 82 1HB CYS 82 -11.368 0.168 -0.587 595 HG CYS 82 HG CYS 82 -11.281 -2.883 -2.108 596 H LEU 83 H LEU 83 -9.855 2.407 -2.068 597 HA LEU 83 HA LEU 83 -7.835 3.017 -0.024 598 HB2 LEU 83 2HB LEU 83 -7.063 3.996 -1.967 599 HB3 LEU 83 1HB LEU 83 -8.672 4.334 -2.565 600 HG LEU 83 HG LEU 83 -8.898 6.229 -1.094 601 HD11 LEU 83 1HD1 LEU 83 -7.545 5.148 0.780 602 HD12 LEU 83 2HD1 LEU 83 -7.363 6.886 0.543 603 HD13 LEU 83 3HD1 LEU 83 -6.122 5.781 -0.049 604 HD21 LEU 83 3HD2 LEU 83 -6.255 6.164 -2.536 605 HD22 LEU 83 1HD2 LEU 83 -7.010 7.629 -1.906 606 HD23 LEU 83 2HD2 LEU 83 -7.813 6.700 -3.171 607 H PHE 84 H PHE 84 -8.898 3.329 1.863 608 HA PHE 84 HA PHE 84 -11.428 4.796 1.848 609 HB2 PHE 84 2HB PHE 84 -10.868 2.527 3.124 610 HB3 PHE 84 1HB PHE 84 -10.302 3.650 4.355 611 HD1 PHE 84 1HD PHE 84 -11.979 5.558 4.985 612 HD2 PHE 84 2HD PHE 84 -13.078 1.905 3.099 613 HE1 PHE 84 1HE PHE 84 -14.288 5.848 5.780 614 HE2 PHE 84 2HE PHE 84 -15.391 2.190 3.887 615 HZ PHE 84 HZ PHE 84 -15.999 4.163 5.230 616 H ARG 85 H ARG 85 -11.401 6.912 2.242 617 HA ARG 85 HA ARG 85 -9.114 8.054 3.692 618 HB2 ARG 85 2HB ARG 85 -11.013 9.910 2.419 619 HB3 ARG 85 1HB ARG 85 -9.256 9.886 2.380 620 HG2 ARG 85 2HG ARG 85 -9.304 8.136 0.688 621 HG3 ARG 85 1HG ARG 85 -11.076 8.151 0.727 622 HD2 ARG 85 2HD ARG 85 -9.233 10.359 -0.173 623 HD3 ARG 85 1HD ARG 85 -10.384 9.449 -1.151 624 HE ARG 85 HE ARG 85 -11.721 10.785 0.952 625 HH11 ARG 85 1HH1 ARG 85 -10.159 11.365 -2.108 626 HH12 ARG 85 2HH1 ARG 85 -11.089 12.783 -2.462 627 HH21 ARG 85 1HH2 ARG 85 -12.952 12.652 0.493 628 HH22 ARG 85 2HH2 ARG 85 -12.676 13.515 -0.983 629 H LEU 86 H LEU 86 -9.967 7.391 5.727 630 HA LEU 86 HA LEU 86 -12.184 7.564 7.063 631 HB2 LEU 86 2HB LEU 86 -10.395 7.175 8.431 632 HB3 LEU 86 1HB LEU 86 -9.479 8.529 7.804 633 HG LEU 86 HG LEU 86 -10.997 10.060 9.073 634 HD11 LEU 86 1HD1 LEU 86 -11.946 7.494 10.343 635 HD12 LEU 86 2HD1 LEU 86 -12.902 8.534 9.286 636 HD13 LEU 86 3HD1 LEU 86 -12.363 9.128 10.856 637 HD21 LEU 86 3HD2 LEU 86 -8.814 9.505 9.934 638 HD22 LEU 86 1HD2 LEU 86 -9.438 8.010 10.638 639 HD23 LEU 86 2HD2 LEU 86 -9.974 9.571 11.261 640 H VAL 87 H VAL 87 -10.332 10.591 6.693 641 HA VAL 87 HA VAL 87 -11.914 12.421 7.834 642 HB VAL 87 HB VAL 87 -11.368 13.826 5.589 643 HG11 VAL 87 1HG1 VAL 87 -9.425 13.076 7.770 644 HG12 VAL 87 2HG1 VAL 87 -10.618 14.374 7.833 645 HG13 VAL 87 3HG1 VAL 87 -9.272 14.466 6.696 646 HG21 VAL 87 3HG2 VAL 87 -9.417 11.531 5.674 647 HG22 VAL 87 1HG2 VAL 87 -9.183 13.016 4.748 648 HG23 VAL 87 2HG2 VAL 87 -10.523 11.938 4.358 649 H ASP 88 H ASP 88 -12.341 11.635 4.376 650 HA ASP 88 HA ASP 88 -15.053 12.691 4.545 651 HB2 ASP 88 2HB ASP 88 -13.248 12.040 2.223 652 HB3 ASP 88 1HB ASP 88 -14.953 12.432 2.008 653 H ASN 89 H ASN 89 -13.670 9.848 5.112 654 HA ASN 89 HA ASN 89 -14.285 7.663 5.087 655 HB2 ASN 89 2HB ASN 89 -16.129 8.734 6.380 656 HB3 ASN 89 1HB ASN 89 -17.083 8.775 4.904 657 HD21 ASN 89 1HD2 ASN 89 -15.718 6.782 7.393 658 HD22 ASN 89 2HD2 ASN 89 -16.618 5.352 7.031 659 H GLU 90 H GLU 90 -13.733 8.854 2.492 660 HA GLU 90 HA GLU 90 -15.627 7.740 0.626 661 HB2 GLU 90 2HB GLU 90 -12.836 8.757 0.082 662 HB3 GLU 90 1HB GLU 90 -14.119 8.518 -1.097 663 HG2 GLU 90 2HG GLU 90 -14.256 10.460 1.183 664 HG3 GLU 90 1HG GLU 90 -13.737 10.878 -0.448 665 H GLN 91 H GLN 91 -15.487 5.839 -0.474 666 HA GLN 91 HA GLN 91 -13.160 4.142 0.137 667 HB2 GLN 91 2HB GLN 91 -15.284 3.414 1.250 668 HB3 GLN 91 1HB GLN 91 -15.979 3.170 -0.349 669 HG2 GLN 91 2HG GLN 91 -13.410 1.826 0.317 670 HG3 GLN 91 1HG GLN 91 -14.910 1.184 0.989 671 HE21 GLN 91 1HE2 GLN 91 -16.457 0.317 -0.406 672 HE22 GLN 91 2HE2 GLN 91 -16.074 -0.137 -2.029 673 H LEU 92 H LEU 92 -12.019 4.577 -1.700 674 HA LEU 92 HA LEU 92 -13.249 4.375 -4.300 675 HB2 LEU 92 2HB LEU 92 -10.334 4.622 -3.539 676 HB3 LEU 92 1HB LEU 92 -10.973 4.754 -5.164 677 HG LEU 92 HG LEU 92 -10.553 6.960 -4.473 678 HD11 LEU 92 1HD1 LEU 92 -12.710 6.732 -5.562 679 HD12 LEU 92 2HD1 LEU 92 -12.750 8.016 -4.351 680 HD13 LEU 92 3HD1 LEU 92 -13.483 6.451 -4.000 681 HD21 LEU 92 3HD2 LEU 92 -11.099 7.916 -2.389 682 HD22 LEU 92 1HD2 LEU 92 -10.365 6.352 -2.039 683 HD23 LEU 92 2HD2 LEU 92 -12.115 6.547 -1.941 684 H ASN 93 H ASN 93 -13.016 2.669 -5.753 685 HA ASN 93 HA ASN 93 -11.714 0.273 -4.642 686 HB2 ASN 93 2HB ASN 93 -13.438 -1.046 -5.957 687 HB3 ASN 93 1HB ASN 93 -14.030 -0.198 -4.539 688 HD21 ASN 93 1HD2 ASN 93 -15.425 -1.129 -6.936 689 HD22 ASN 93 2HD2 ASN 93 -16.195 0.264 -7.608 690 H LEU 94 H LEU 94 -10.011 -0.250 -5.731 691 HA LEU 94 HA LEU 94 -9.836 0.284 -8.608 692 HB2 LEU 94 2HB LEU 94 -8.029 0.948 -6.847 693 HB3 LEU 94 1HB LEU 94 -7.611 -0.753 -6.861 694 HG LEU 94 HG LEU 94 -7.700 0.677 -9.470 695 HD11 LEU 94 1HD1 LEU 94 -5.413 1.464 -9.168 696 HD12 LEU 94 2HD1 LEU 94 -5.432 0.915 -7.493 697 HD13 LEU 94 3HD1 LEU 94 -6.496 2.227 -8.005 698 HD21 LEU 94 3HD2 LEU 94 -5.904 -1.437 -8.283 699 HD22 LEU 94 1HD2 LEU 94 -5.864 -0.856 -9.948 700 HD23 LEU 94 2HD2 LEU 94 -7.276 -1.726 -9.354 701 H GLU 95 H GLU 95 -11.407 -1.427 -8.933 702 HA GLU 95 HA GLU 95 -10.815 -4.116 -8.161 703 HB2 GLU 95 2HB GLU 95 -12.861 -3.174 -10.159 704 HB3 GLU 95 1HB GLU 95 -12.841 -4.703 -9.289 705 HG2 GLU 95 2HG GLU 95 -13.276 -3.610 -7.216 706 HG3 GLU 95 1HG GLU 95 -13.089 -2.019 -7.956 707 H ASP 96 H ASP 96 -11.600 -5.590 -10.293 708 HA ASP 96 HA ASP 96 -9.305 -6.313 -11.567 709 HB2 ASP 96 2HB ASP 96 -10.954 -7.163 -13.413 710 HB3 ASP 96 1HB ASP 96 -11.018 -7.848 -11.791 711 H GLU 97 H GLU 97 -11.808 -4.211 -12.969 712 HA GLU 97 HA GLU 97 -10.731 -3.698 -15.426 713 HB2 GLU 97 2HB GLU 97 -11.824 -1.440 -15.266 714 HB3 GLU 97 1HB GLU 97 -12.868 -2.798 -14.870 715 HG2 GLU 97 2HG GLU 97 -12.490 -2.358 -12.478 716 HG3 GLU 97 1HG GLU 97 -11.512 -0.957 -12.913 717 H ASP 98 H ASP 98 -9.364 -2.894 -12.427 718 HA ASP 98 HA ASP 98 -7.339 -1.231 -13.756 719 HB2 ASP 98 2HB ASP 98 -8.411 -0.890 -10.942 720 HB3 ASP 98 1HB ASP 98 -7.093 0.038 -11.652 721 H ILE 99 H ILE 99 -8.001 -4.010 -11.924 722 HA ILE 99 HA ILE 99 -5.339 -4.191 -10.748 723 HB ILE 99 HB ILE 99 -7.756 -5.988 -10.549 724 HG12 ILE 99 2HG1 ILE 99 -7.734 -3.803 -9.333 725 HG13 ILE 99 1HG1 ILE 99 -7.917 -5.217 -8.305 726 HG21 ILE 99 1HG2 ILE 99 -5.913 -7.474 -10.423 727 HG22 ILE 99 2HG2 ILE 99 -6.435 -7.170 -8.764 728 HG23 ILE 99 3HG2 ILE 99 -5.000 -6.364 -9.399 729 HD11 ILE 99 3HD1 ILE 99 -6.427 -3.629 -7.284 730 HD12 ILE 99 1HD1 ILE 99 -5.405 -3.616 -8.723 731 HD13 ILE 99 2HD1 ILE 99 -5.528 -5.077 -7.742 732 H GLU 100 H GLU 100 -7.303 -5.823 -13.199 733 HA GLU 100 HA GLU 100 -5.783 -7.993 -13.837 734 HB2 GLU 100 2HB GLU 100 -7.192 -6.120 -15.744 735 HB3 GLU 100 1HB GLU 100 -6.607 -7.722 -16.172 736 HG2 GLU 100 2HG GLU 100 -8.113 -8.726 -14.555 737 HG3 GLU 100 1HG GLU 100 -8.673 -7.127 -14.066 738 H SER 101 H SER 101 -5.237 -4.656 -14.885 739 HA SER 101 HA SER 101 -2.533 -5.455 -15.743 740 HB2 SER 101 2HB SER 101 -3.962 -4.889 -17.689 741 HB3 SER 101 1HB SER 101 -4.256 -3.297 -16.990 742 HG SER 101 HG SER 101 -2.111 -4.207 -18.393 743 H ILE 102 H ILE 102 -3.123 -4.675 -13.144 744 HA ILE 102 HA ILE 102 -2.779 -1.914 -12.668 745 HB ILE 102 HB ILE 102 -3.709 -3.414 -10.977 746 HG12 ILE 102 2HG1 ILE 102 -2.253 -2.619 -9.038 747 HG13 ILE 102 1HG1 ILE 102 -1.183 -1.928 -10.250 748 HG21 ILE 102 1HG2 ILE 102 -0.917 -4.559 -10.897 749 HG22 ILE 102 2HG2 ILE 102 -2.408 -5.397 -11.330 750 HG23 ILE 102 3HG2 ILE 102 -2.149 -4.857 -9.672 751 HD11 ILE 102 3HD1 ILE 102 -3.021 -0.539 -11.071 752 HD12 ILE 102 1HD1 ILE 102 -2.671 -0.245 -9.367 753 HD13 ILE 102 2HD1 ILE 102 -4.069 -1.214 -9.826 754 H ASP 103 H ASP 103 -1.012 -0.712 -12.169 755 HA ASP 103 HA ASP 103 1.628 -1.973 -12.269 756 HB2 ASP 103 2HB ASP 103 0.893 0.531 -13.802 757 HB3 ASP 103 1HB ASP 103 2.490 -0.206 -13.718 758 H ALA 104 H ALA 104 3.250 -0.821 -11.092 759 HA ALA 104 HA ALA 104 2.464 0.306 -8.715 760 HB1 ALA 104 1HB ALA 104 4.742 1.182 -8.499 761 HB2 ALA 104 2HB ALA 104 5.027 0.828 -10.204 762 HB3 ALA 104 3HB ALA 104 4.710 -0.486 -9.069 763 H THR 105 H THR 105 3.042 1.891 -11.790 764 HA THR 105 HA THR 105 2.890 4.560 -10.921 765 HB THR 105 HB THR 105 2.073 3.391 -13.589 766 HG1 THR 105 1HG THR 105 4.448 3.586 -12.499 767 HG21 THR 105 3HG2 THR 105 2.554 6.229 -12.711 768 HG22 THR 105 1HG2 THR 105 1.062 5.539 -13.356 769 HG23 THR 105 2HG2 THR 105 2.475 5.723 -14.400 770 H LYS 106 H LYS 106 0.406 2.356 -12.171 771 HA LYS 106 HA LYS 106 -1.762 4.111 -12.064 772 HB2 LYS 106 2HB LYS 106 -1.762 1.109 -11.680 773 HB3 LYS 106 1HB LYS 106 -3.168 2.091 -12.067 774 HG2 LYS 106 2HG LYS 106 -2.276 2.649 -14.210 775 HG3 LYS 106 1HG LYS 106 -0.735 1.880 -13.824 776 HD2 LYS 106 2HD LYS 106 -1.958 0.364 -15.203 777 HD3 LYS 106 1HD LYS 106 -1.994 -0.279 -13.562 778 HE2 LYS 106 2HE LYS 106 -4.187 -0.481 -14.530 779 HE3 LYS 106 1HE LYS 106 -4.227 0.737 -13.257 780 HZ1 LYS 106 3HZ LYS 106 -5.434 1.440 -15.240 781 HZ2 LYS 106 1HZ LYS 106 -4.020 1.311 -16.163 782 HZ3 LYS 106 2HZ LYS 106 -4.122 2.461 -14.926 783 H LEU 107 H LEU 107 -0.929 1.561 -9.679 784 HA LEU 107 HA LEU 107 -2.821 2.170 -7.772 785 HB2 LEU 107 2HB LEU 107 -0.640 0.483 -7.906 786 HB3 LEU 107 1HB LEU 107 -0.200 1.571 -6.607 787 HG LEU 107 HG LEU 107 -2.422 -0.425 -6.728 788 HD11 LEU 107 1HD1 LEU 107 -1.587 -0.808 -4.380 789 HD12 LEU 107 2HD1 LEU 107 -0.277 0.315 -4.754 790 HD13 LEU 107 3HD1 LEU 107 -0.447 -1.180 -5.671 791 HD21 LEU 107 3HD2 LEU 107 -3.612 1.591 -6.156 792 HD22 LEU 107 1HD2 LEU 107 -2.391 2.014 -4.953 793 HD23 LEU 107 2HD2 LEU 107 -3.420 0.603 -4.708 794 H SER 108 H SER 108 0.527 3.383 -7.871 795 HA SER 108 HA SER 108 0.322 5.195 -5.760 796 HB2 SER 108 2HB SER 108 2.062 5.338 -8.233 797 HB3 SER 108 1HB SER 108 2.301 6.294 -6.769 798 HG SER 108 HG SER 108 2.250 3.459 -6.788 799 H ARG 109 H ARG 109 -0.707 5.428 -9.076 800 HA ARG 109 HA ARG 109 -1.030 8.247 -9.136 801 HB2 ARG 109 2HB ARG 109 -0.811 6.800 -11.161 802 HB3 ARG 109 1HB ARG 109 -2.408 6.159 -10.830 803 HG2 ARG 109 2HG ARG 109 -1.985 9.098 -11.183 804 HG3 ARG 109 1HG ARG 109 -2.151 8.028 -12.576 805 HD2 ARG 109 2HD ARG 109 -4.288 7.195 -11.524 806 HD3 ARG 109 1HD ARG 109 -4.140 8.527 -10.373 807 HE ARG 109 HE ARG 109 -3.983 9.812 -12.714 808 HH11 ARG 109 1HH1 ARG 109 -6.210 7.388 -11.564 809 HH12 ARG 109 2HH1 ARG 109 -7.533 7.969 -12.518 810 HH21 ARG 109 1HH2 ARG 109 -5.719 10.580 -13.973 811 HH22 ARG 109 2HH2 ARG 109 -7.254 9.781 -13.889 812 H PHE 110 H PHE 110 -3.508 5.692 -9.214 813 HA PHE 110 HA PHE 110 -5.749 7.114 -8.665 814 HB2 PHE 110 2HB PHE 110 -4.905 4.369 -7.780 815 HB3 PHE 110 1HB PHE 110 -6.445 5.035 -7.240 816 HD1 PHE 110 1HD PHE 110 -4.484 4.426 -10.347 817 HD2 PHE 110 2HD PHE 110 -8.324 4.739 -8.542 818 HE1 PHE 110 1HE PHE 110 -5.526 3.698 -12.452 819 HE2 PHE 110 2HE PHE 110 -9.376 4.012 -10.647 820 HZ PHE 110 HZ PHE 110 -7.976 3.489 -12.604 821 H ILE 111 H ILE 111 -3.414 5.915 -6.282 822 HA ILE 111 HA ILE 111 -4.693 6.914 -3.989 823 HB ILE 111 HB ILE 111 -1.743 6.494 -4.510 824 HG12 ILE 111 2HG1 ILE 111 -3.634 4.750 -2.936 825 HG13 ILE 111 1HG1 ILE 111 -3.350 4.521 -4.654 826 HG21 ILE 111 1HG2 ILE 111 -2.071 8.039 -2.665 827 HG22 ILE 111 2HG2 ILE 111 -1.504 6.476 -2.071 828 HG23 ILE 111 3HG2 ILE 111 -3.205 6.916 -1.907 829 HD11 ILE 111 3HD1 ILE 111 -0.999 4.117 -4.238 830 HD12 ILE 111 1HD1 ILE 111 -2.000 3.016 -3.293 831 HD13 ILE 111 2HD1 ILE 111 -1.244 4.406 -2.515 832 H GLU 112 H GLU 112 -1.970 8.271 -5.838 833 HA GLU 112 HA GLU 112 -1.759 10.707 -4.552 834 HB2 GLU 112 2HB GLU 112 -0.203 9.786 -6.298 835 HB3 GLU 112 1HB GLU 112 -1.388 10.248 -7.517 836 HG2 GLU 112 2HG GLU 112 -1.172 12.598 -6.747 837 HG3 GLU 112 1HG GLU 112 0.124 12.082 -5.671 838 H ILE 113 H ILE 113 -4.241 9.524 -6.542 839 HA ILE 113 HA ILE 113 -5.232 12.133 -7.317 840 HB ILE 113 HB ILE 113 -5.713 9.357 -8.130 841 HG12 ILE 113 2HG1 ILE 113 -5.958 10.401 -10.325 842 HG13 ILE 113 1HG1 ILE 113 -5.995 11.997 -9.578 843 HG21 ILE 113 1HG2 ILE 113 -8.005 11.297 -8.033 844 HG22 ILE 113 2HG2 ILE 113 -7.916 9.680 -7.332 845 HG23 ILE 113 3HG2 ILE 113 -7.959 9.879 -9.082 846 HD11 ILE 113 3HD1 ILE 113 -3.826 11.470 -10.584 847 HD12 ILE 113 1HD1 ILE 113 -3.665 10.096 -9.489 848 HD13 ILE 113 2HD1 ILE 113 -3.708 11.737 -8.845 849 H ASN 114 H ASN 114 -6.108 9.518 -5.081 850 HA ASN 114 HA ASN 114 -8.159 11.331 -3.980 851 HB2 ASN 114 2HB ASN 114 -8.314 8.318 -4.168 852 HB3 ASN 114 1HB ASN 114 -9.482 9.345 -3.341 853 HD21 ASN 114 1HD2 ASN 114 -9.725 7.529 -5.673 854 HD22 ASN 114 2HD2 ASN 114 -10.419 8.494 -6.925 855 H SER 115 H SER 115 -5.335 10.962 -3.171 856 HA SER 115 HA SER 115 -5.464 9.588 -0.635 857 HB2 SER 115 2HB SER 115 -3.142 10.298 -0.357 858 HB3 SER 115 1HB SER 115 -3.377 9.636 -1.976 859 HG SER 115 HG SER 115 -3.328 11.670 -2.815 860 H LEU 116 H LEU 116 -7.451 11.375 -0.599 861 HA LEU 116 HA LEU 116 -6.512 13.754 0.816 862 HB2 LEU 116 2HB LEU 116 -9.289 13.029 -0.098 863 HB3 LEU 116 1HB LEU 116 -8.789 14.571 0.573 864 HG LEU 116 HG LEU 116 -7.889 13.404 -2.061 865 HD11 LEU 116 1HD1 LEU 116 -10.177 14.194 -2.131 866 HD12 LEU 116 2HD1 LEU 116 -9.128 15.300 -3.018 867 HD13 LEU 116 3HD1 LEU 116 -9.695 15.728 -1.405 868 HD21 LEU 116 3HD2 LEU 116 -6.094 14.685 -1.064 869 HD22 LEU 116 1HD2 LEU 116 -7.195 16.023 -0.736 870 HD23 LEU 116 2HD2 LEU 116 -6.805 15.593 -2.399 Start of MODEL 24 1 H GLU 1 H GLU 1 15.966 -15.454 -4.971 2 HA GLU 1 HA GLU 1 15.952 -17.827 -3.420 3 HB2 GLU 1 2HB GLU 1 16.434 -16.354 -1.518 4 HB3 GLU 1 1HB GLU 1 15.018 -15.384 -1.897 5 HG2 GLU 1 2HG GLU 1 13.573 -17.288 -1.431 6 HG3 GLU 1 1HG GLU 1 14.988 -18.280 -1.075 7 H VAL 2 H VAL 2 14.010 -14.918 -4.059 8 HA VAL 2 HA VAL 2 11.701 -16.623 -4.644 9 HB VAL 2 HB VAL 2 10.424 -14.472 -4.720 10 HG11 VAL 2 1HG1 VAL 2 10.456 -14.115 -2.286 11 HG12 VAL 2 2HG1 VAL 2 11.942 -15.060 -2.181 12 HG13 VAL 2 3HG1 VAL 2 10.443 -15.827 -2.709 13 HG21 VAL 2 3HG2 VAL 2 12.239 -12.961 -5.282 14 HG22 VAL 2 1HG2 VAL 2 13.032 -13.308 -3.744 15 HG23 VAL 2 2HG2 VAL 2 11.484 -12.466 -3.768 16 H GLU 3 H GLU 3 13.689 -14.069 -6.095 17 HA GLU 3 HA GLU 3 13.476 -15.143 -8.696 18 HB2 GLU 3 2HB GLU 3 11.187 -14.224 -8.525 19 HB3 GLU 3 1HB GLU 3 11.862 -12.633 -8.209 20 HG2 GLU 3 2HG GLU 3 11.155 -12.819 -10.514 21 HG3 GLU 3 1HG GLU 3 12.905 -12.631 -10.415 22 H LYS 4 H LYS 4 15.690 -14.859 -8.682 23 HA LYS 4 HA LYS 4 17.688 -13.815 -8.968 24 HB2 LYS 4 2HB LYS 4 16.537 -12.994 -10.984 25 HB3 LYS 4 1HB LYS 4 15.941 -11.611 -10.079 26 HG2 LYS 4 2HG LYS 4 18.246 -10.861 -9.721 27 HG3 LYS 4 1HG LYS 4 18.828 -12.237 -10.660 28 HD2 LYS 4 2HD LYS 4 17.597 -11.417 -12.613 29 HD3 LYS 4 1HD LYS 4 17.023 -10.040 -11.671 30 HE2 LYS 4 2HE LYS 4 19.341 -9.307 -11.351 31 HE3 LYS 4 1HE LYS 4 19.903 -10.679 -12.307 32 HZ1 LYS 4 3HZ LYS 4 18.168 -8.476 -13.285 33 HZ2 LYS 4 1HZ LYS 4 18.680 -9.800 -14.204 34 HZ3 LYS 4 2HZ LYS 4 19.809 -8.674 -13.638 35 H SER 5 H SER 5 18.247 -13.591 -6.798 36 HA SER 5 HA SER 5 18.519 -10.878 -5.899 37 HB2 SER 5 2HB SER 5 17.355 -11.180 -3.748 38 HB3 SER 5 1HB SER 5 16.242 -11.341 -5.107 39 HG SER 5 HG SER 5 17.138 -13.251 -3.296 40 H SER 6 H SER 6 20.576 -10.858 -5.304 41 HA SER 6 HA SER 6 21.564 -13.030 -3.587 42 HB2 SER 6 2HB SER 6 23.069 -11.747 -5.881 43 HB3 SER 6 1HB SER 6 23.743 -12.921 -4.749 44 HG SER 6 HG SER 6 22.983 -13.838 -6.751 45 H ASP 7 H ASP 7 20.578 -10.250 -3.105 46 HA ASP 7 HA ASP 7 23.022 -9.089 -1.949 47 HB2 ASP 7 2HB ASP 7 21.873 -7.626 -3.557 48 HB3 ASP 7 1HB ASP 7 20.394 -7.738 -2.606 49 H GLY 8 H GLY 8 19.643 -9.896 -1.297 50 HA2 GLY 8 2HA GLY 8 19.768 -10.922 1.154 51 HA3 GLY 8 1HA GLY 8 19.941 -9.212 1.520 52 HA PRO 9 HA PRO 9 15.372 -10.708 0.812 53 HB2 PRO 9 2HB PRO 9 15.232 -10.666 3.770 54 HB3 PRO 9 1HB PRO 9 14.554 -11.831 2.627 55 HG2 PRO 9 2HG PRO 9 16.673 -12.451 4.130 56 HG3 PRO 9 1HG PRO 9 16.533 -13.018 2.456 57 HD2 PRO 9 2HD PRO 9 18.173 -10.774 3.568 58 HD3 PRO 9 1HD PRO 9 18.592 -11.966 2.319 59 H GLY 10 H GLY 10 14.719 -8.740 0.096 60 HA2 GLY 10 2HA GLY 10 14.847 -6.441 1.901 61 HA3 GLY 10 1HA GLY 10 14.491 -6.388 0.183 62 H ALA 11 H ALA 11 12.978 -4.940 1.944 63 HA ALA 11 HA ALA 11 10.360 -5.923 1.380 64 HB1 ALA 11 1HB ALA 11 10.844 -7.292 3.351 65 HB2 ALA 11 2HB ALA 11 9.556 -6.132 3.673 66 HB3 ALA 11 3HB ALA 11 11.183 -5.834 4.283 67 H ALA 12 H ALA 12 11.917 -3.855 3.837 68 HA ALA 12 HA ALA 12 11.612 -1.674 4.407 69 HB1 ALA 12 1HB ALA 12 11.617 -0.086 2.605 70 HB2 ALA 12 2HB ALA 12 11.034 -1.308 1.473 71 HB3 ALA 12 3HB ALA 12 12.651 -1.448 2.163 72 H GLN 13 H GLN 13 9.752 -2.152 5.641 73 HA GLN 13 HA GLN 13 7.594 -2.075 6.304 74 HB2 GLN 13 2HB GLN 13 6.475 0.010 5.995 75 HB3 GLN 13 1HB GLN 13 8.192 0.330 6.161 76 HG2 GLN 13 2HG GLN 13 8.393 0.692 3.782 77 HG3 GLN 13 1HG GLN 13 6.701 0.251 3.545 78 HE21 GLN 13 1HE2 GLN 13 7.841 2.149 6.248 79 HE22 GLN 13 2HE2 GLN 13 7.098 3.633 5.770 80 H GLU 14 H GLU 14 6.049 -3.415 5.826 81 HA GLU 14 HA GLU 14 5.080 -3.536 3.049 82 HB2 GLU 14 2HB GLU 14 4.577 -5.869 3.388 83 HB3 GLU 14 1HB GLU 14 6.247 -5.581 3.855 84 HG2 GLU 14 2HG GLU 14 5.487 -5.458 6.223 85 HG3 GLU 14 1HG GLU 14 3.884 -5.948 5.673 86 HA PRO 15 HA PRO 15 1.018 -2.435 4.317 87 HB2 PRO 15 2HB PRO 15 -0.561 -4.191 2.932 88 HB3 PRO 15 1HB PRO 15 0.216 -2.778 2.214 89 HG2 PRO 15 2HG PRO 15 1.045 -5.642 2.138 90 HG3 PRO 15 1HG PRO 15 1.122 -4.414 0.863 91 HD2 PRO 15 2HD PRO 15 3.286 -5.175 2.306 92 HD3 PRO 15 1HD PRO 15 3.092 -3.538 1.651 93 H THR 16 H THR 16 -0.358 -2.819 5.947 94 HA THR 16 HA THR 16 0.090 -4.855 7.796 95 HB THR 16 HB THR 16 -2.494 -3.322 7.499 96 HG1 THR 16 1HG THR 16 -0.141 -2.271 7.745 97 HG21 THR 16 3HG2 THR 16 -2.630 -3.592 9.922 98 HG22 THR 16 1HG2 THR 16 -1.109 -4.486 9.919 99 HG23 THR 16 2HG2 THR 16 -2.533 -5.161 9.126 100 H TRP 17 H TRP 17 -1.218 -6.598 8.487 101 HA TRP 17 HA TRP 17 -2.550 -7.973 6.275 102 HB2 TRP 17 2HB TRP 17 -1.564 -8.987 8.946 103 HB3 TRP 17 1HB TRP 17 -2.341 -9.986 7.723 104 HD1 TRP 17 HD TRP 17 -0.938 -10.089 5.284 105 HE1 TRP 17 1HE TRP 17 1.607 -10.244 4.933 106 HE3 TRP 17 3HE TRP 17 0.613 -8.395 9.850 107 HZ2 TRP 17 2HZ TRP 17 3.960 -9.720 6.402 108 HZ3 TRP 17 3HZ TRP 17 3.026 -8.253 10.298 109 HH2 TRP 17 HH TRP 17 4.666 -8.903 8.608 110 H LEU 18 H LEU 18 -4.592 -7.079 6.259 111 HA LEU 18 HA LEU 18 -6.155 -7.025 8.719 112 HB2 LEU 18 2HB LEU 18 -6.975 -6.253 5.919 113 HB3 LEU 18 1HB LEU 18 -7.830 -5.875 7.403 114 HG LEU 18 HG LEU 18 -5.088 -4.839 6.686 115 HD11 LEU 18 1HD1 LEU 18 -6.653 -3.849 5.198 116 HD12 LEU 18 2HD1 LEU 18 -6.286 -2.664 6.452 117 HD13 LEU 18 3HD1 LEU 18 -7.803 -3.561 6.503 118 HD21 LEU 18 3HD2 LEU 18 -5.381 -4.993 9.074 119 HD22 LEU 18 1HD2 LEU 18 -6.947 -4.190 8.967 120 HD23 LEU 18 2HD2 LEU 18 -5.474 -3.304 8.579 121 H THR 19 H THR 19 -5.903 -9.433 8.799 122 HA THR 19 HA THR 19 -7.215 -11.100 6.920 123 HB THR 19 HB THR 19 -6.945 -12.885 8.561 124 HG1 THR 19 1HG THR 19 -7.143 -10.940 10.316 125 HG21 THR 19 3HG2 THR 19 -4.550 -11.048 8.444 126 HG22 THR 19 1HG2 THR 19 -4.996 -12.251 7.234 127 HG23 THR 19 2HG2 THR 19 -4.508 -12.764 8.848 128 H ASP 20 H ASP 20 -8.573 -8.928 9.018 129 HA ASP 20 HA ASP 20 -11.117 -10.363 8.913 130 HB2 ASP 20 2HB ASP 20 -9.850 -9.296 11.431 131 HB3 ASP 20 1HB ASP 20 -11.581 -9.591 11.300 132 H VAL 21 H VAL 21 -12.950 -9.076 8.902 133 HA VAL 21 HA VAL 21 -12.768 -6.616 7.636 134 HB VAL 21 HB VAL 21 -15.108 -7.502 9.323 135 HG11 VAL 21 1HG1 VAL 21 -15.226 -5.192 8.570 136 HG12 VAL 21 2HG1 VAL 21 -16.417 -6.181 7.726 137 HG13 VAL 21 3HG1 VAL 21 -14.928 -5.704 6.909 138 HG21 VAL 21 3HG2 VAL 21 -14.565 -9.328 7.875 139 HG22 VAL 21 1HG2 VAL 21 -14.359 -8.245 6.499 140 HG23 VAL 21 2HG2 VAL 21 -15.961 -8.495 7.193 141 HA PRO 22 HA PRO 22 -13.728 -4.542 11.991 142 HB2 PRO 22 2HB PRO 22 -12.508 -5.920 14.057 143 HB3 PRO 22 1HB PRO 22 -14.233 -5.980 13.685 144 HG2 PRO 22 2HG PRO 22 -12.062 -7.891 12.925 145 HG3 PRO 22 1HG PRO 22 -13.713 -8.232 13.478 146 HD2 PRO 22 2HD PRO 22 -13.072 -8.409 10.897 147 HD3 PRO 22 1HD PRO 22 -14.642 -7.745 11.399 148 H ALA 23 H ALA 23 -10.780 -6.546 11.817 149 HA ALA 23 HA ALA 23 -9.041 -4.588 12.843 150 HB1 ALA 23 1HB ALA 23 -8.436 -6.957 12.756 151 HB2 ALA 23 2HB ALA 23 -7.232 -5.963 11.935 152 HB3 ALA 23 3HB ALA 23 -8.403 -6.887 10.992 153 H ALA 24 H ALA 24 -10.221 -5.303 9.656 154 HA ALA 24 HA ALA 24 -8.451 -3.682 8.171 155 HB1 ALA 24 1HB ALA 24 -10.189 -3.762 6.408 156 HB2 ALA 24 2HB ALA 24 -11.291 -4.513 7.563 157 HB3 ALA 24 3HB ALA 24 -9.822 -5.357 7.073 158 H MET 25 H MET 25 -11.818 -3.067 9.151 159 HA MET 25 HA MET 25 -11.891 -0.367 8.429 160 HB2 MET 25 2HB MET 25 -13.493 -1.681 10.626 161 HB3 MET 25 1HB MET 25 -13.919 -0.228 9.733 162 HG2 MET 25 2HG MET 25 -14.010 -1.610 7.665 163 HG3 MET 25 1HG MET 25 -13.773 -3.036 8.672 164 HE1 MET 25 3HE MET 25 -15.844 0.240 9.343 165 HE2 MET 25 1HE MET 25 -17.468 -0.280 8.890 166 HE3 MET 25 2HE MET 25 -16.213 -0.133 7.660 167 H GLU 26 H GLU 26 -10.567 -1.943 11.231 168 HA GLU 26 HA GLU 26 -10.554 0.365 12.910 169 HB2 GLU 26 2HB GLU 26 -9.257 -2.325 13.014 170 HB3 GLU 26 1HB GLU 26 -8.659 -1.050 14.069 171 HG2 GLU 26 2HG GLU 26 -11.064 -0.747 14.815 172 HG3 GLU 26 1HG GLU 26 -11.393 -2.273 13.995 173 H PHE 27 H PHE 27 -8.033 -1.255 10.977 174 HA PHE 27 HA PHE 27 -6.034 0.643 11.500 175 HB2 PHE 27 2HB PHE 27 -6.437 -1.490 9.468 176 HB3 PHE 27 1HB PHE 27 -5.242 -0.249 9.102 177 HD1 PHE 27 2HD PHE 27 -6.120 -3.017 11.332 178 HD2 PHE 27 1HD PHE 27 -3.211 -0.060 10.385 179 HE1 PHE 27 2HE PHE 27 -4.486 -4.175 12.760 180 HE2 PHE 27 1HE PHE 27 -1.569 -1.213 11.811 181 HZ PHE 27 HZ PHE 27 -2.207 -3.273 13.002 182 H ILE 28 H ILE 28 -8.704 0.579 9.270 183 HA ILE 28 HA ILE 28 -7.819 2.814 7.697 184 HB ILE 28 HB ILE 28 -10.452 1.383 7.967 185 HG12 ILE 28 2HG1 ILE 28 -8.705 1.809 5.539 186 HG13 ILE 28 1HG1 ILE 28 -8.506 0.442 6.633 187 HG21 ILE 28 1HG2 ILE 28 -11.054 3.694 7.658 188 HG22 ILE 28 2HG2 ILE 28 -11.315 2.828 6.146 189 HG23 ILE 28 3HG2 ILE 28 -9.898 3.859 6.340 190 HD11 ILE 28 3HD1 ILE 28 -9.834 0.000 4.556 191 HD12 ILE 28 1HD1 ILE 28 -11.084 1.054 5.217 192 HD13 ILE 28 2HD1 ILE 28 -10.635 -0.427 6.068 193 H ALA 29 H ALA 29 -9.877 2.326 10.499 194 HA ALA 29 HA ALA 29 -10.822 5.021 10.615 195 HB1 ALA 29 1HB ALA 29 -10.862 2.811 12.671 196 HB2 ALA 29 2HB ALA 29 -12.159 3.250 11.558 197 HB3 ALA 29 3HB ALA 29 -11.684 4.364 12.840 198 H ALA 30 H ALA 30 -7.966 3.415 11.598 199 HA ALA 30 HA ALA 30 -7.284 5.444 13.586 200 HB1 ALA 30 1HB ALA 30 -5.358 4.065 14.081 201 HB2 ALA 30 2HB ALA 30 -5.711 3.033 12.696 202 HB3 ALA 30 3HB ALA 30 -6.817 3.075 14.068 203 H THR 31 H THR 31 -7.535 6.137 10.757 204 HA THR 31 HA THR 31 -5.191 7.718 10.492 205 HB THR 31 HB THR 31 -4.188 5.622 9.747 206 HG1 THR 31 1HG THR 31 -3.337 6.461 7.885 207 HG21 THR 31 3HG2 THR 31 -5.986 5.529 7.373 208 HG22 THR 31 1HG2 THR 31 -6.539 4.826 8.893 209 HG23 THR 31 2HG2 THR 31 -5.063 4.238 8.141 210 H GLU 32 H GLU 32 -5.297 9.184 8.733 211 HA GLU 32 HA GLU 32 -7.948 9.944 8.005 212 HB2 GLU 32 2HB GLU 32 -5.895 11.439 8.366 213 HB3 GLU 32 1HB GLU 32 -5.418 10.979 6.739 214 HG2 GLU 32 2HG GLU 32 -7.512 11.880 5.870 215 HG3 GLU 32 1HG GLU 32 -7.984 12.344 7.506 216 H VAL 33 H VAL 33 -5.204 8.599 6.189 217 HA VAL 33 HA VAL 33 -7.101 7.812 4.076 218 HB VAL 33 HB VAL 33 -4.207 8.517 3.606 219 HG11 VAL 33 1HG1 VAL 33 -4.919 8.589 1.235 220 HG12 VAL 33 2HG1 VAL 33 -6.509 7.997 1.727 221 HG13 VAL 33 3HG1 VAL 33 -5.078 6.989 1.963 222 HG21 VAL 33 3HG2 VAL 33 -5.085 10.582 2.549 223 HG22 VAL 33 1HG2 VAL 33 -5.346 10.523 4.293 224 HG23 VAL 33 2HG2 VAL 33 -6.682 10.185 3.191 225 H ALA 34 H ALA 34 -7.035 5.715 3.437 226 HA ALA 34 HA ALA 34 -4.799 4.048 4.326 227 HB1 ALA 34 1HB ALA 34 -6.420 3.798 6.079 228 HB2 ALA 34 2HB ALA 34 -6.388 2.316 5.121 229 HB3 ALA 34 3HB ALA 34 -7.699 3.478 4.907 230 H VAL 35 H VAL 35 -4.109 2.742 2.795 231 HA VAL 35 HA VAL 35 -5.949 2.065 0.600 232 HB VAL 35 HB VAL 35 -2.972 2.536 0.531 233 HG11 VAL 35 1HG1 VAL 35 -3.076 1.868 -1.847 234 HG12 VAL 35 2HG1 VAL 35 -4.736 1.324 -1.603 235 HG13 VAL 35 3HG1 VAL 35 -3.414 0.522 -0.758 236 HG21 VAL 35 3HG2 VAL 35 -5.331 3.747 -0.898 237 HG22 VAL 35 1HG2 VAL 35 -3.641 4.157 -1.214 238 HG23 VAL 35 2HG2 VAL 35 -4.356 4.505 0.363 239 H ILE 36 H ILE 36 -6.342 -0.000 0.250 240 HA ILE 36 HA ILE 36 -4.595 -1.990 1.517 241 HB ILE 36 HB ILE 36 -7.600 -1.908 1.741 242 HG12 ILE 36 2HG1 ILE 36 -5.699 -1.931 4.048 243 HG13 ILE 36 1HG1 ILE 36 -5.961 -0.421 3.186 244 HG21 ILE 36 1HG2 ILE 36 -6.884 -4.194 1.515 245 HG22 ILE 36 2HG2 ILE 36 -7.292 -3.892 3.206 246 HG23 ILE 36 3HG2 ILE 36 -5.602 -3.955 2.703 247 HD11 ILE 36 3HD1 ILE 36 -7.400 -0.509 5.078 248 HD12 ILE 36 1HD1 ILE 36 -8.019 -2.089 4.593 249 HD13 ILE 36 2HD1 ILE 36 -8.379 -0.663 3.618 250 H GLY 37 H GLY 37 -4.287 -3.839 0.444 251 HA2 GLY 37 2HA GLY 37 -5.518 -4.043 -2.206 252 HA3 GLY 37 1HA GLY 37 -4.019 -4.809 -1.717 253 H PHE 38 H PHE 38 -7.459 -5.082 -1.863 254 HA PHE 38 HA PHE 38 -7.573 -7.498 -0.268 255 HB2 PHE 38 2HB PHE 38 -9.670 -6.181 -2.015 256 HB3 PHE 38 1HB PHE 38 -9.952 -7.541 -0.935 257 HD1 PHE 38 1HD PHE 38 -8.814 -6.978 1.528 258 HD2 PHE 38 2HD PHE 38 -10.538 -4.216 -1.206 259 HE1 PHE 38 1HE PHE 38 -9.282 -5.437 3.386 260 HE2 PHE 38 2HE PHE 38 -11.013 -2.673 0.651 261 HZ PHE 38 HZ PHE 38 -10.380 -3.280 2.949 262 H PHE 39 H PHE 39 -6.243 -8.969 -1.276 263 HA PHE 39 HA PHE 39 -6.937 -9.703 -4.043 264 HB2 PHE 39 2HB PHE 39 -4.374 -10.350 -2.595 265 HB3 PHE 39 1HB PHE 39 -4.705 -10.514 -4.316 266 HD1 PHE 39 2HD PHE 39 -5.938 -7.967 -4.991 267 HD2 PHE 39 1HD PHE 39 -2.674 -8.809 -2.397 268 HE1 PHE 39 2HE PHE 39 -5.058 -5.706 -5.376 269 HE2 PHE 39 1HE PHE 39 -1.785 -6.545 -2.775 270 HZ PHE 39 HZ PHE 39 -2.978 -4.990 -4.267 271 H GLN 40 H GLN 40 -7.280 -11.808 -4.606 272 HA GLN 40 HA GLN 40 -7.878 -13.646 -2.419 273 HB2 GLN 40 2HB GLN 40 -8.422 -13.884 -5.391 274 HB3 GLN 40 1HB GLN 40 -8.981 -15.005 -4.157 275 HG2 GLN 40 2HG GLN 40 -10.284 -13.178 -3.134 276 HG3 GLN 40 1HG GLN 40 -9.775 -12.117 -4.446 277 HE21 GLN 40 1HE2 GLN 40 -10.610 -12.432 -6.509 278 HE22 GLN 40 2HE2 GLN 40 -12.013 -13.399 -6.797 279 H ASP 41 H ASP 41 -5.329 -12.792 -4.196 280 HA ASP 41 HA ASP 41 -3.875 -15.227 -3.676 281 HB2 ASP 41 2HB ASP 41 -4.902 -15.612 -5.935 282 HB3 ASP 41 1HB ASP 41 -4.051 -14.180 -6.518 283 H LEU 42 H LEU 42 -1.931 -14.600 -2.916 284 HA LEU 42 HA LEU 42 -1.100 -11.851 -3.422 285 HB2 LEU 42 2HB LEU 42 -0.062 -13.878 -1.446 286 HB3 LEU 42 1HB LEU 42 0.526 -12.231 -1.596 287 HG LEU 42 HG LEU 42 -2.253 -13.064 -0.768 288 HD11 LEU 42 1HD1 LEU 42 -0.022 -11.747 0.776 289 HD12 LEU 42 2HD1 LEU 42 -0.560 -13.417 0.954 290 HD13 LEU 42 3HD1 LEU 42 -1.641 -12.092 1.384 291 HD21 LEU 42 3HD2 LEU 42 -2.561 -10.631 -0.321 292 HD22 LEU 42 1HD2 LEU 42 -2.420 -11.034 -2.033 293 HD23 LEU 42 2HD2 LEU 42 -1.048 -10.330 -1.177 294 H GLU 43 H GLU 43 -0.832 -13.315 -5.645 295 HA GLU 43 HA GLU 43 2.080 -13.411 -5.961 296 HB2 GLU 43 2HB GLU 43 0.172 -15.479 -7.070 297 HB3 GLU 43 1HB GLU 43 1.890 -15.388 -7.421 298 HG2 GLU 43 2HG GLU 43 2.342 -15.734 -5.016 299 HG3 GLU 43 1HG GLU 43 0.613 -15.963 -4.767 300 H ILE 44 H ILE 44 -0.584 -11.884 -6.697 301 HA ILE 44 HA ILE 44 -0.284 -11.688 -9.584 302 HB ILE 44 HB ILE 44 -2.111 -9.887 -9.243 303 HG12 ILE 44 2HG1 ILE 44 -2.739 -11.363 -6.738 304 HG13 ILE 44 1HG1 ILE 44 -1.557 -10.065 -6.662 305 HG21 ILE 44 1HG2 ILE 44 -3.826 -11.538 -9.364 306 HG22 ILE 44 2HG2 ILE 44 -2.819 -12.728 -8.537 307 HG23 ILE 44 3HG2 ILE 44 -2.397 -12.195 -10.167 308 HD11 ILE 44 3HD1 ILE 44 -3.546 -9.031 -6.122 309 HD12 ILE 44 1HD1 ILE 44 -4.456 -9.939 -7.330 310 HD13 ILE 44 2HD1 ILE 44 -3.351 -8.661 -7.837 311 HA PRO 45 HA PRO 45 2.315 -8.137 -9.915 312 HB2 PRO 45 2HB PRO 45 0.071 -6.854 -11.413 313 HB3 PRO 45 1HB PRO 45 1.772 -7.012 -11.862 314 HG2 PRO 45 2HG PRO 45 -0.042 -8.577 -12.988 315 HG3 PRO 45 1HG PRO 45 1.526 -9.244 -12.495 316 HD2 PRO 45 2HD PRO 45 -1.146 -9.507 -11.177 317 HD3 PRO 45 1HD PRO 45 0.159 -10.701 -11.333 318 H ALA 46 H ALA 46 -0.970 -7.734 -8.819 319 HA ALA 46 HA ALA 46 -0.806 -5.019 -8.041 320 HB1 ALA 46 1HB ALA 46 -2.604 -7.090 -6.820 321 HB2 ALA 46 2HB ALA 46 -2.894 -6.374 -8.405 322 HB3 ALA 46 3HB ALA 46 -2.883 -5.354 -6.965 323 H VAL 47 H VAL 47 -0.045 -8.024 -6.347 324 HA VAL 47 HA VAL 47 0.099 -6.941 -3.761 325 HB VAL 47 HB VAL 47 1.865 -9.212 -4.615 326 HG11 VAL 47 1HG1 VAL 47 0.327 -8.597 -2.094 327 HG12 VAL 47 2HG1 VAL 47 2.072 -8.466 -2.322 328 HG13 VAL 47 3HG1 VAL 47 1.294 -10.047 -2.370 329 HG21 VAL 47 3HG2 VAL 47 -0.343 -9.550 -5.650 330 HG22 VAL 47 1HG2 VAL 47 -1.092 -9.393 -4.062 331 HG23 VAL 47 2HG2 VAL 47 -0.001 -10.737 -4.393 332 HA PRO 48 HA PRO 48 4.901 -6.386 -4.504 333 HB2 PRO 48 2HB PRO 48 4.970 -6.134 -7.456 334 HB3 PRO 48 1HB PRO 48 6.099 -6.957 -6.373 335 HG2 PRO 48 2HG PRO 48 4.430 -8.346 -7.916 336 HG3 PRO 48 1HG PRO 48 4.796 -8.873 -6.261 337 HD2 PRO 48 2HD PRO 48 2.377 -7.455 -7.307 338 HD3 PRO 48 1HD PRO 48 2.484 -8.783 -6.138 339 H ILE 49 H ILE 49 2.715 -5.039 -6.928 340 HA ILE 49 HA ILE 49 3.864 -2.484 -7.082 341 HB ILE 49 HB ILE 49 1.243 -3.658 -7.844 342 HG12 ILE 49 2HG1 ILE 49 3.007 -1.968 -9.559 343 HG13 ILE 49 1HG1 ILE 49 3.525 -3.597 -9.136 344 HG21 ILE 49 1HG2 ILE 49 1.763 -0.750 -7.500 345 HG22 ILE 49 2HG2 ILE 49 0.303 -1.679 -7.167 346 HG23 ILE 49 3HG2 ILE 49 0.747 -1.304 -8.831 347 HD11 ILE 49 3HD1 ILE 49 2.261 -3.241 -11.329 348 HD12 ILE 49 1HD1 ILE 49 0.825 -3.096 -10.316 349 HD13 ILE 49 2HD1 ILE 49 1.775 -4.584 -10.291 350 H LEU 50 H LEU 50 1.431 -3.842 -4.925 351 HA LEU 50 HA LEU 50 0.752 -1.334 -3.728 352 HB2 LEU 50 2HB LEU 50 -0.848 -3.125 -3.620 353 HB3 LEU 50 1HB LEU 50 0.307 -4.177 -2.836 354 HG LEU 50 HG LEU 50 0.294 -2.603 -0.879 355 HD11 LEU 50 1HD1 LEU 50 -1.544 -1.030 -0.671 356 HD12 LEU 50 2HD1 LEU 50 -2.086 -1.426 -2.303 357 HD13 LEU 50 3HD1 LEU 50 -0.532 -0.628 -2.058 358 HD21 LEU 50 3HD2 LEU 50 -1.090 -4.732 -1.116 359 HD22 LEU 50 1HD2 LEU 50 -2.460 -3.669 -1.454 360 HD23 LEU 50 2HD2 LEU 50 -1.614 -3.559 0.094 361 H HIS 51 H HIS 51 2.753 -4.100 -2.721 362 HA HIS 51 HA HIS 51 3.715 -3.061 -0.330 363 HB2 HIS 51 2HB HIS 51 5.001 -4.897 -2.353 364 HB3 HIS 51 1HB HIS 51 5.795 -4.466 -0.843 365 HD1 HIS 51 1HD HIS 51 2.191 -5.519 -1.477 366 HD2 HIS 51 2HD HIS 51 5.539 -6.662 0.699 367 HE1 HIS 51 1HE HIS 51 1.453 -7.478 -0.086 368 HE2 HIS 51 2HE HIS 51 3.528 -8.230 1.126 369 H SER 52 H SER 52 4.419 -2.241 -3.604 370 HA SER 52 HA SER 52 6.864 -0.819 -3.029 371 HB2 SER 52 2HB SER 52 6.555 -1.870 -5.221 372 HB3 SER 52 1HB SER 52 5.139 -0.862 -5.520 373 HG SER 52 HG SER 52 7.816 -0.248 -5.698 374 H MET 53 H MET 53 3.516 0.052 -3.872 375 HA MET 53 HA MET 53 3.856 2.828 -3.822 376 HB2 MET 53 2HB MET 53 1.553 2.998 -3.936 377 HB3 MET 53 1HB MET 53 1.813 1.380 -4.564 378 HG2 MET 53 2HG MET 53 0.033 1.112 -3.127 379 HG3 MET 53 1HG MET 53 1.407 0.606 -2.151 380 HE1 MET 53 3HE MET 53 -0.806 2.251 0.580 381 HE2 MET 53 1HE MET 53 0.259 0.896 0.207 382 HE3 MET 53 2HE MET 53 -1.222 1.137 -0.721 383 H VAL 54 H VAL 54 3.583 0.472 -1.316 384 HA VAL 54 HA VAL 54 2.776 1.932 0.874 385 HB VAL 54 HB VAL 54 4.837 -0.254 0.696 386 HG11 VAL 54 1HG1 VAL 54 4.542 -0.545 3.116 387 HG12 VAL 54 2HG1 VAL 54 3.555 0.916 3.155 388 HG13 VAL 54 3HG1 VAL 54 5.260 1.017 2.713 389 HG21 VAL 54 3HG2 VAL 54 2.813 -1.199 0.107 390 HG22 VAL 54 1HG2 VAL 54 1.896 -0.166 1.202 391 HG23 VAL 54 2HG2 VAL 54 2.872 -1.485 1.845 392 H GLN 55 H GLN 55 6.096 1.544 -0.342 393 HA GLN 55 HA GLN 55 7.188 3.371 1.558 394 HB2 GLN 55 2HB GLN 55 8.500 2.552 -1.010 395 HB3 GLN 55 1HB GLN 55 9.247 2.988 0.521 396 HG2 GLN 55 2HG GLN 55 8.411 0.928 1.521 397 HG3 GLN 55 1HG GLN 55 7.651 0.494 -0.010 398 HE21 GLN 55 1HE2 GLN 55 8.834 -1.394 -0.203 399 HE22 GLN 55 2HE2 GLN 55 10.517 -1.396 -0.591 400 H LYS 56 H LYS 56 5.451 3.742 -1.297 401 HA LYS 56 HA LYS 56 6.672 6.288 -2.033 402 HB2 LYS 56 2HB LYS 56 4.329 4.821 -3.257 403 HB3 LYS 56 1HB LYS 56 5.106 6.251 -3.918 404 HG2 LYS 56 2HG LYS 56 7.161 5.007 -4.254 405 HG3 LYS 56 1HG LYS 56 6.425 3.571 -3.541 406 HD2 LYS 56 2HD LYS 56 6.268 3.265 -5.872 407 HD3 LYS 56 1HD LYS 56 4.656 3.769 -5.358 408 HE2 LYS 56 2HE LYS 56 5.158 5.004 -7.319 409 HE3 LYS 56 1HE LYS 56 5.320 6.118 -5.960 410 HZ1 LYS 56 3HZ LYS 56 7.144 6.356 -7.524 411 HZ2 LYS 56 1HZ LYS 56 7.561 4.730 -7.326 412 HZ3 LYS 56 2HZ LYS 56 7.711 5.805 -6.029 413 H PHE 57 H PHE 57 4.147 5.042 -0.138 414 HA PHE 57 HA PHE 57 3.128 7.751 0.314 415 HB2 PHE 57 2HB PHE 57 1.531 5.312 -0.394 416 HB3 PHE 57 1HB PHE 57 0.812 6.637 0.518 417 HD1 PHE 57 1HD PHE 57 0.526 8.842 -0.509 418 HD2 PHE 57 2HD PHE 57 2.033 5.530 -2.716 419 HE1 PHE 57 1HE PHE 57 0.081 10.045 -2.609 420 HE2 PHE 57 2HE PHE 57 1.590 6.726 -4.820 421 HZ PHE 57 HZ PHE 57 0.615 8.985 -4.768 422 HA PRO 58 HA PRO 58 4.301 5.325 4.229 423 HB2 PRO 58 2HB PRO 58 5.342 7.663 5.345 424 HB3 PRO 58 1HB PRO 58 6.288 6.376 4.590 425 HG2 PRO 58 2HG PRO 58 5.334 8.960 3.429 426 HG3 PRO 58 1HG PRO 58 6.888 8.133 3.202 427 HD2 PRO 58 2HD PRO 58 5.026 8.033 1.308 428 HD3 PRO 58 1HD PRO 58 5.982 6.589 1.702 429 H GLY 59 H GLY 59 3.051 8.616 3.727 430 HA2 GLY 59 2HA GLY 59 1.712 8.901 6.170 431 HA3 GLY 59 1HA GLY 59 1.283 9.729 4.678 432 H VAL 60 H VAL 60 0.649 7.539 3.094 433 HA VAL 60 HA VAL 60 -2.027 7.024 3.850 434 HB VAL 60 HB VAL 60 -0.222 5.942 1.700 435 HG11 VAL 60 1HG1 VAL 60 -2.107 4.678 0.777 436 HG12 VAL 60 2HG1 VAL 60 -3.074 5.077 2.196 437 HG13 VAL 60 3HG1 VAL 60 -1.640 4.063 2.362 438 HG21 VAL 60 3HG2 VAL 60 -1.905 7.046 0.248 439 HG22 VAL 60 1HG2 VAL 60 -1.086 8.155 1.349 440 HG23 VAL 60 2HG2 VAL 60 -2.729 7.617 1.701 441 H SER 61 H SER 61 -2.995 5.136 4.641 442 HA SER 61 HA SER 61 -1.251 3.507 6.270 443 HB2 SER 61 2HB SER 61 -3.371 4.275 7.205 444 HB3 SER 61 1HB SER 61 -4.253 3.432 5.935 445 HG SER 61 HG SER 61 -3.364 2.475 8.261 446 H PHE 62 H PHE 62 -0.093 2.152 5.027 447 HA PHE 62 HA PHE 62 -1.064 0.727 2.801 448 HB2 PHE 62 2HB PHE 62 0.992 -0.778 3.355 449 HB3 PHE 62 1HB PHE 62 1.253 0.889 2.851 450 HD1 PHE 62 2HD PHE 62 1.343 -1.437 5.693 451 HD2 PHE 62 1HD PHE 62 2.118 2.534 4.367 452 HE1 PHE 62 2HE PHE 62 2.633 -1.007 7.742 453 HE2 PHE 62 1HE PHE 62 3.408 2.969 6.416 454 HZ PHE 62 HZ PHE 62 3.668 1.198 8.106 455 H GLY 63 H GLY 63 -2.275 -1.032 2.664 456 HA2 GLY 63 2HA GLY 63 -2.318 -2.943 4.879 457 HA3 GLY 63 1HA GLY 63 -3.842 -2.194 4.421 458 H ILE 64 H ILE 64 -3.429 -4.941 4.341 459 HA ILE 64 HA ILE 64 -4.147 -5.471 1.619 460 HB ILE 64 HB ILE 64 -1.515 -5.543 1.882 461 HG12 ILE 64 2HG1 ILE 64 -3.083 -7.660 0.406 462 HG13 ILE 64 1HG1 ILE 64 -2.768 -6.029 -0.168 463 HG21 ILE 64 1HG2 ILE 64 -1.480 -7.112 3.742 464 HG22 ILE 64 2HG2 ILE 64 -0.679 -7.792 2.328 465 HG23 ILE 64 3HG2 ILE 64 -2.304 -8.315 2.755 466 HD11 ILE 64 3HD1 ILE 64 -1.285 -7.613 -1.232 467 HD12 ILE 64 1HD1 ILE 64 -0.705 -8.160 0.340 468 HD13 ILE 64 2HD1 ILE 64 -0.371 -6.514 -0.199 469 H SER 65 H SER 65 -5.319 -7.370 1.429 470 HA SER 65 HA SER 65 -5.425 -9.164 3.723 471 HB2 SER 65 2HB SER 65 -7.088 -7.513 4.339 472 HB3 SER 65 1HB SER 65 -7.832 -7.616 2.744 473 HG SER 65 HG SER 65 -7.598 -9.908 4.362 474 H THR 66 H THR 66 -6.458 -11.148 3.329 475 HA THR 66 HA THR 66 -7.143 -11.737 0.538 476 HB THR 66 HB THR 66 -5.928 -13.894 0.692 477 HG1 THR 66 1HG THR 66 -5.531 -13.002 3.256 478 HG21 THR 66 3HG2 THR 66 -3.733 -13.012 0.288 479 HG22 THR 66 1HG2 THR 66 -4.115 -11.535 1.174 480 HG23 THR 66 2HG2 THR 66 -4.918 -11.876 -0.359 481 H ASP 67 H ASP 67 -8.213 -11.594 3.546 482 HA ASP 67 HA ASP 67 -9.407 -14.162 3.924 483 HB2 ASP 67 2HB ASP 67 -8.885 -12.580 5.786 484 HB3 ASP 67 1HB ASP 67 -10.169 -11.526 5.199 485 H SER 68 H SER 68 -11.454 -14.839 3.483 486 HA SER 68 HA SER 68 -12.774 -13.734 1.262 487 HB2 SER 68 2HB SER 68 -13.831 -15.697 3.313 488 HB3 SER 68 1HB SER 68 -14.531 -15.394 1.723 489 HG SER 68 HG SER 68 -12.531 -17.038 2.381 490 H GLU 69 H GLU 69 -13.737 -13.787 4.699 491 HA GLU 69 HA GLU 69 -16.124 -12.453 4.567 492 HB2 GLU 69 2HB GLU 69 -14.032 -12.035 6.701 493 HB3 GLU 69 1HB GLU 69 -15.760 -11.750 6.856 494 HG2 GLU 69 2HG GLU 69 -16.183 -14.136 6.539 495 HG3 GLU 69 1HG GLU 69 -14.449 -14.420 6.395 496 H VAL 70 H VAL 70 -12.896 -10.983 4.698 497 HA VAL 70 HA VAL 70 -13.876 -8.319 4.725 498 HB VAL 70 HB VAL 70 -11.155 -9.406 3.991 499 HG11 VAL 70 1HG1 VAL 70 -12.058 -6.556 4.356 500 HG12 VAL 70 2HG1 VAL 70 -11.407 -7.291 2.888 501 HG13 VAL 70 3HG1 VAL 70 -10.369 -7.069 4.301 502 HG21 VAL 70 3HG2 VAL 70 -11.520 -9.810 6.274 503 HG22 VAL 70 1HG2 VAL 70 -12.331 -8.261 6.501 504 HG23 VAL 70 2HG2 VAL 70 -10.592 -8.309 6.224 505 H LEU 71 H LEU 71 -12.330 -10.238 2.146 506 HA LEU 71 HA LEU 71 -12.681 -8.391 0.087 507 HB2 LEU 71 2HB LEU 71 -12.314 -11.352 0.188 508 HB3 LEU 71 1HB LEU 71 -12.741 -10.604 -1.339 509 HG LEU 71 HG LEU 71 -10.739 -9.329 -1.392 510 HD11 LEU 71 1HD1 LEU 71 -10.599 -8.607 0.889 511 HD12 LEU 71 2HD1 LEU 71 -9.086 -9.403 0.451 512 HD13 LEU 71 3HD1 LEU 71 -10.277 -10.253 1.436 513 HD21 LEU 71 3HD2 LEU 71 -9.000 -11.068 -1.261 514 HD22 LEU 71 1HD2 LEU 71 -10.457 -11.625 -2.085 515 HD23 LEU 71 2HD2 LEU 71 -10.143 -12.119 -0.421 516 H THR 72 H THR 72 -14.964 -10.216 1.785 517 HA THR 72 HA THR 72 -16.972 -10.162 -0.322 518 HB THR 72 HB THR 72 -17.148 -11.091 2.555 519 HG1 THR 72 1HG THR 72 -17.294 -12.733 0.252 520 HG21 THR 72 3HG2 THR 72 -19.335 -10.418 1.874 521 HG22 THR 72 1HG2 THR 72 -19.277 -12.176 1.747 522 HG23 THR 72 2HG2 THR 72 -19.148 -11.180 0.295 523 H HIS 73 H HIS 73 -16.287 -8.671 2.804 524 HA HIS 73 HA HIS 73 -18.637 -7.174 3.069 525 HB2 HIS 73 2HB HIS 73 -17.026 -7.504 4.906 526 HB3 HIS 73 1HB HIS 73 -15.852 -6.505 4.054 527 HD1 HIS 73 1HD HIS 73 -19.009 -6.297 6.047 528 HD2 HIS 73 2HD HIS 73 -16.303 -3.745 4.197 529 HE1 HIS 73 1HE HIS 73 -19.573 -3.995 6.888 530 HE2 HIS 73 2HE HIS 73 -17.951 -2.461 5.722 531 H TYR 74 H TYR 74 -15.589 -6.486 1.426 532 HA TYR 74 HA TYR 74 -16.601 -3.891 0.554 533 HB2 TYR 74 2HB TYR 74 -13.918 -5.243 0.286 534 HB3 TYR 74 1HB TYR 74 -14.302 -3.731 -0.531 535 HD1 TYR 74 1HD TYR 74 -13.767 -5.327 2.744 536 HD2 TYR 74 2HD TYR 74 -14.428 -1.663 0.684 537 HE1 TYR 74 1HE TYR 74 -13.148 -4.081 4.771 538 HE2 TYR 74 2HE TYR 74 -13.809 -0.406 2.704 539 HH TYR 74 HH TYR 74 -12.311 -1.860 5.386 540 H ASN 75 H ASN 75 -17.388 -6.757 -0.379 541 HA ASN 75 HA ASN 75 -18.100 -7.758 -2.292 542 HB2 ASN 75 2HB ASN 75 -18.170 -4.871 -3.170 543 HB3 ASN 75 1HB ASN 75 -18.843 -6.198 -4.114 544 HD21 ASN 75 1HD2 ASN 75 -20.708 -7.215 -3.418 545 HD22 ASN 75 2HD2 ASN 75 -21.717 -6.554 -2.182 546 H ILE 76 H ILE 76 -15.172 -7.235 -1.912 547 HA ILE 76 HA ILE 76 -13.908 -6.663 -4.348 548 HB ILE 76 HB ILE 76 -12.918 -8.576 -2.229 549 HG12 ILE 76 2HG1 ILE 76 -13.558 -6.464 -1.196 550 HG13 ILE 76 1HG1 ILE 76 -11.811 -6.614 -1.230 551 HG21 ILE 76 1HG2 ILE 76 -11.535 -8.785 -4.106 552 HG22 ILE 76 2HG2 ILE 76 -10.684 -7.663 -3.043 553 HG23 ILE 76 3HG2 ILE 76 -11.576 -7.056 -4.436 554 HD11 ILE 76 3HD1 ILE 76 -12.634 -4.351 -1.783 555 HD12 ILE 76 1HD1 ILE 76 -13.410 -5.022 -3.217 556 HD13 ILE 76 2HD1 ILE 76 -11.653 -5.074 -3.056 557 H THR 77 H THR 77 -13.966 -7.723 -6.217 558 HA THR 77 HA THR 77 -14.036 -10.648 -6.219 559 HB THR 77 HB THR 77 -15.716 -10.607 -8.092 560 HG1 THR 77 1HG THR 77 -16.238 -8.689 -8.804 561 HG21 THR 77 3HG2 THR 77 -16.660 -9.569 -5.420 562 HG22 THR 77 1HG2 THR 77 -16.348 -11.258 -5.824 563 HG23 THR 77 2HG2 THR 77 -17.658 -10.387 -6.621 564 H GLY 78 H GLY 78 -11.748 -9.481 -6.680 565 HA2 GLY 78 2HA GLY 78 -10.793 -10.345 -9.065 566 HA3 GLY 78 1HA GLY 78 -11.381 -8.734 -9.446 567 H ASN 79 H ASN 79 -9.809 -9.894 -6.483 568 HA ASN 79 HA ASN 79 -8.012 -9.094 -5.333 569 HB2 ASN 79 2HB ASN 79 -6.850 -8.725 -8.096 570 HB3 ASN 79 1HB ASN 79 -5.956 -8.946 -6.598 571 HD21 ASN 79 1HD2 ASN 79 -5.846 -10.506 -9.031 572 HD22 ASN 79 2HD2 ASN 79 -6.265 -12.125 -8.595 573 H THR 80 H THR 80 -9.965 -7.236 -5.671 574 HA THR 80 HA THR 80 -9.131 -4.774 -6.796 575 HB THR 80 HB THR 80 -11.236 -5.380 -4.707 576 HG1 THR 80 1HG THR 80 -11.125 -5.896 -7.308 577 HG21 THR 80 3HG2 THR 80 -10.628 -3.015 -4.642 578 HG22 THR 80 1HG2 THR 80 -12.240 -3.231 -5.326 579 HG23 THR 80 2HG2 THR 80 -10.868 -2.896 -6.384 580 H ILE 81 H ILE 81 -8.516 -2.861 -5.797 581 HA ILE 81 HA ILE 81 -7.347 -3.084 -3.096 582 HB ILE 81 HB ILE 81 -6.412 -1.435 -5.455 583 HG12 ILE 81 2HG1 ILE 81 -5.075 -3.640 -3.876 584 HG13 ILE 81 1HG1 ILE 81 -5.722 -3.787 -5.505 585 HG21 ILE 81 1HG2 ILE 81 -6.278 -0.148 -3.365 586 HG22 ILE 81 2HG2 ILE 81 -4.683 -0.539 -4.008 587 HG23 ILE 81 3HG2 ILE 81 -5.329 -1.445 -2.640 588 HD11 ILE 81 3HD1 ILE 81 -3.341 -3.569 -5.598 589 HD12 ILE 81 1HD1 ILE 81 -3.399 -2.095 -4.633 590 HD13 ILE 81 2HD1 ILE 81 -4.080 -2.110 -6.260 591 H CYS 82 H CYS 82 -8.507 -1.928 -1.658 592 HA CYS 82 HA CYS 82 -10.089 0.308 -2.698 593 HB2 CYS 82 2HB CYS 82 -10.412 -1.307 -0.183 594 HB3 CYS 82 1HB CYS 82 -11.409 0.081 -0.600 595 HG CYS 82 HG CYS 82 -13.173 -1.591 -1.498 596 H LEU 83 H LEU 83 -9.797 2.323 -2.115 597 HA LEU 83 HA LEU 83 -7.846 2.912 0.001 598 HB2 LEU 83 2HB LEU 83 -6.991 3.885 -1.909 599 HB3 LEU 83 1HB LEU 83 -8.572 4.239 -2.569 600 HG LEU 83 HG LEU 83 -8.834 6.146 -1.131 601 HD11 LEU 83 1HD1 LEU 83 -7.612 5.077 0.827 602 HD12 LEU 83 2HD1 LEU 83 -7.368 6.805 0.575 603 HD13 LEU 83 3HD1 LEU 83 -6.127 5.656 0.070 604 HD21 LEU 83 3HD2 LEU 83 -6.111 6.054 -2.411 605 HD22 LEU 83 1HD2 LEU 83 -6.907 7.526 -1.856 606 HD23 LEU 83 2HD2 LEU 83 -7.623 6.573 -3.155 607 H PHE 84 H PHE 84 -9.000 3.191 1.849 608 HA PHE 84 HA PHE 84 -11.483 4.732 1.732 609 HB2 PHE 84 2HB PHE 84 -11.225 2.459 2.958 610 HB3 PHE 84 1HB PHE 84 -10.420 3.402 4.206 611 HD1 PHE 84 1HD PHE 84 -11.755 5.544 4.992 612 HD2 PHE 84 2HD PHE 84 -13.490 2.141 3.113 613 HE1 PHE 84 1HE PHE 84 -13.941 6.131 5.955 614 HE2 PHE 84 2HE PHE 84 -15.678 2.724 4.072 615 HZ PHE 84 HZ PHE 84 -15.906 4.722 5.494 616 H ARG 85 H ARG 85 -11.496 6.804 2.233 617 HA ARG 85 HA ARG 85 -9.231 7.912 3.752 618 HB2 ARG 85 2HB ARG 85 -11.092 9.788 2.446 619 HB3 ARG 85 1HB ARG 85 -9.335 9.773 2.471 620 HG2 ARG 85 2HG ARG 85 -9.305 8.051 0.752 621 HG3 ARG 85 1HG ARG 85 -11.076 8.045 0.727 622 HD2 ARG 85 2HD ARG 85 -9.202 10.236 -0.130 623 HD3 ARG 85 1HD ARG 85 -10.410 9.386 -1.096 624 HE ARG 85 HE ARG 85 -11.585 10.794 1.091 625 HH11 ARG 85 1HH1 ARG 85 -10.304 11.172 -2.129 626 HH12 ARG 85 2HH1 ARG 85 -11.235 12.591 -2.472 627 HH21 ARG 85 1HH2 ARG 85 -12.810 12.666 0.648 628 HH22 ARG 85 2HH2 ARG 85 -12.658 13.443 -0.892 629 H LEU 86 H LEU 86 -9.805 7.710 5.824 630 HA LEU 86 HA LEU 86 -12.180 7.696 7.099 631 HB2 LEU 86 2HB LEU 86 -10.399 7.288 8.473 632 HB3 LEU 86 1HB LEU 86 -9.470 8.639 7.856 633 HG LEU 86 HG LEU 86 -11.015 10.170 9.116 634 HD11 LEU 86 1HD1 LEU 86 -12.324 9.192 10.942 635 HD12 LEU 86 2HD1 LEU 86 -11.927 7.577 10.358 636 HD13 LEU 86 3HD1 LEU 86 -12.904 8.659 9.365 637 HD21 LEU 86 3HD2 LEU 86 -8.824 9.673 9.969 638 HD22 LEU 86 1HD2 LEU 86 -9.397 8.153 10.662 639 HD23 LEU 86 2HD2 LEU 86 -9.976 9.690 11.306 640 H VAL 87 H VAL 87 -10.324 10.685 6.505 641 HA VAL 87 HA VAL 87 -11.818 12.581 7.693 642 HB VAL 87 HB VAL 87 -11.430 13.832 5.296 643 HG11 VAL 87 1HG1 VAL 87 -9.294 14.606 6.282 644 HG12 VAL 87 2HG1 VAL 87 -9.455 13.364 7.522 645 HG13 VAL 87 3HG1 VAL 87 -10.647 14.658 7.414 646 HG21 VAL 87 3HG2 VAL 87 -9.412 11.606 5.532 647 HG22 VAL 87 1HG2 VAL 87 -9.225 13.018 4.488 648 HG23 VAL 87 2HG2 VAL 87 -10.550 11.888 4.207 649 H ASP 88 H ASP 88 -12.400 11.943 4.248 650 HA ASP 88 HA ASP 88 -15.114 12.903 4.548 651 HB2 ASP 88 2HB ASP 88 -13.393 12.194 2.188 652 HB3 ASP 88 1HB ASP 88 -15.120 12.501 2.005 653 H ASN 89 H ASN 89 -13.771 10.097 5.217 654 HA ASN 89 HA ASN 89 -14.408 7.919 5.315 655 HB2 ASN 89 2HB ASN 89 -17.173 9.112 5.084 656 HB3 ASN 89 1HB ASN 89 -16.779 7.512 5.707 657 HD21 ASN 89 1HD2 ASN 89 -16.706 10.925 6.314 658 HD22 ASN 89 2HD2 ASN 89 -16.345 10.825 8.000 659 H GLU 90 H GLU 90 -13.746 8.863 2.703 660 HA GLU 90 HA GLU 90 -15.665 7.759 0.853 661 HB2 GLU 90 2HB GLU 90 -12.823 8.646 0.339 662 HB3 GLU 90 1HB GLU 90 -14.063 8.353 -0.873 663 HG2 GLU 90 2HG GLU 90 -14.212 10.465 1.254 664 HG3 GLU 90 1HG GLU 90 -13.675 10.739 -0.402 665 H GLN 91 H GLN 91 -15.052 6.084 -0.717 666 HA GLN 91 HA GLN 91 -13.008 4.211 0.169 667 HB2 GLN 91 2HB GLN 91 -15.042 3.523 1.371 668 HB3 GLN 91 1HB GLN 91 -15.906 3.408 -0.158 669 HG2 GLN 91 2HG GLN 91 -13.415 1.828 0.132 670 HG3 GLN 91 1HG GLN 91 -14.835 1.301 1.036 671 HE21 GLN 91 1HE2 GLN 91 -13.436 0.030 -1.195 672 HE22 GLN 91 2HE2 GLN 91 -14.623 -0.198 -2.431 673 H LEU 92 H LEU 92 -11.893 4.588 -1.713 674 HA LEU 92 HA LEU 92 -13.157 4.348 -4.288 675 HB2 LEU 92 2HB LEU 92 -10.226 4.477 -3.549 676 HB3 LEU 92 1HB LEU 92 -10.861 4.575 -5.178 677 HG LEU 92 HG LEU 92 -10.302 6.781 -4.526 678 HD11 LEU 92 1HD1 LEU 92 -13.275 6.410 -4.242 679 HD12 LEU 92 2HD1 LEU 92 -12.378 6.668 -5.740 680 HD13 LEU 92 3HD1 LEU 92 -12.463 7.949 -4.528 681 HD21 LEU 92 3HD2 LEU 92 -10.890 7.835 -2.510 682 HD22 LEU 92 1HD2 LEU 92 -10.304 6.234 -2.058 683 HD23 LEU 92 2HD2 LEU 92 -12.037 6.565 -2.086 684 H ASN 93 H ASN 93 -12.934 2.607 -5.744 685 HA ASN 93 HA ASN 93 -11.790 0.169 -4.552 686 HB2 ASN 93 2HB ASN 93 -13.635 -1.007 -5.971 687 HB3 ASN 93 1HB ASN 93 -14.045 -0.313 -4.408 688 HD21 ASN 93 1HD2 ASN 93 -16.202 -0.079 -4.973 689 HD22 ASN 93 2HD2 ASN 93 -16.741 1.128 -6.085 690 H LEU 94 H LEU 94 -9.897 0.172 -5.662 691 HA LEU 94 HA LEU 94 -9.820 0.382 -8.539 692 HB2 LEU 94 2HB LEU 94 -7.990 1.034 -6.792 693 HB3 LEU 94 1HB LEU 94 -7.596 -0.673 -6.808 694 HG LEU 94 HG LEU 94 -7.706 0.716 -9.429 695 HD11 LEU 94 1HD1 LEU 94 -5.368 1.468 -9.136 696 HD12 LEU 94 2HD1 LEU 94 -5.486 1.078 -7.419 697 HD13 LEU 94 3HD1 LEU 94 -6.505 2.343 -8.110 698 HD21 LEU 94 3HD2 LEU 94 -5.878 -1.349 -8.206 699 HD22 LEU 94 1HD2 LEU 94 -5.858 -0.809 -9.886 700 HD23 LEU 94 2HD2 LEU 94 -7.257 -1.678 -9.256 701 H GLU 95 H GLU 95 -11.372 -1.312 -8.925 702 HA GLU 95 HA GLU 95 -10.823 -4.003 -8.095 703 HB2 GLU 95 2HB GLU 95 -12.853 -3.044 -10.101 704 HB3 GLU 95 1HB GLU 95 -12.843 -4.586 -9.257 705 HG2 GLU 95 2HG GLU 95 -13.309 -3.548 -7.178 706 HG3 GLU 95 1HG GLU 95 -13.059 -1.938 -7.856 707 H ASP 96 H ASP 96 -11.604 -5.493 -10.240 708 HA ASP 96 HA ASP 96 -9.248 -6.125 -11.512 709 HB2 ASP 96 2HB ASP 96 -11.089 -7.676 -11.454 710 HB3 ASP 96 1HB ASP 96 -12.091 -6.595 -12.418 711 H GLU 97 H GLU 97 -11.742 -3.860 -12.565 712 HA GLU 97 HA GLU 97 -10.915 -3.458 -15.195 713 HB2 GLU 97 2HB GLU 97 -12.059 -1.422 -13.270 714 HB3 GLU 97 1HB GLU 97 -11.990 -1.242 -15.019 715 HG2 GLU 97 2HG GLU 97 -13.527 -3.361 -13.534 716 HG3 GLU 97 1HG GLU 97 -14.209 -1.903 -14.253 717 H ASP 98 H ASP 98 -9.320 -2.778 -12.315 718 HA ASP 98 HA ASP 98 -7.316 -1.167 -13.726 719 HB2 ASP 98 2HB ASP 98 -8.328 -0.748 -10.902 720 HB3 ASP 98 1HB ASP 98 -6.950 0.096 -11.613 721 H ILE 99 H ILE 99 -7.995 -3.897 -11.819 722 HA ILE 99 HA ILE 99 -5.310 -4.149 -10.725 723 HB ILE 99 HB ILE 99 -7.737 -5.936 -10.517 724 HG12 ILE 99 2HG1 ILE 99 -7.729 -3.750 -9.291 725 HG13 ILE 99 1HG1 ILE 99 -7.905 -5.167 -8.268 726 HG21 ILE 99 1HG2 ILE 99 -6.377 -7.091 -8.718 727 HG22 ILE 99 2HG2 ILE 99 -4.963 -6.297 -9.412 728 HG23 ILE 99 3HG2 ILE 99 -5.909 -7.424 -10.386 729 HD11 ILE 99 3HD1 ILE 99 -6.429 -3.588 -7.233 730 HD12 ILE 99 1HD1 ILE 99 -5.411 -3.535 -8.673 731 HD13 ILE 99 2HD1 ILE 99 -5.509 -5.014 -7.714 732 H GLU 100 H GLU 100 -7.283 -5.481 -13.292 733 HA GLU 100 HA GLU 100 -5.916 -7.767 -13.975 734 HB2 GLU 100 2HB GLU 100 -8.019 -6.878 -15.032 735 HB3 GLU 100 1HB GLU 100 -7.017 -5.773 -15.959 736 HG2 GLU 100 2HG GLU 100 -6.616 -8.743 -16.056 737 HG3 GLU 100 1HG GLU 100 -7.777 -7.916 -17.093 738 H SER 101 H SER 101 -5.220 -4.445 -15.021 739 HA SER 101 HA SER 101 -2.515 -5.341 -15.768 740 HB2 SER 101 2HB SER 101 -3.844 -4.721 -17.756 741 HB3 SER 101 1HB SER 101 -4.132 -3.127 -17.058 742 HG SER 101 HG SER 101 -2.308 -3.424 -18.623 743 H ILE 102 H ILE 102 -3.244 -4.498 -13.184 744 HA ILE 102 HA ILE 102 -2.814 -1.786 -12.659 745 HB ILE 102 HB ILE 102 -3.742 -3.315 -10.990 746 HG12 ILE 102 2HG1 ILE 102 -2.263 -2.555 -9.046 747 HG13 ILE 102 1HG1 ILE 102 -1.218 -1.828 -10.261 748 HG21 ILE 102 1HG2 ILE 102 -2.153 -4.767 -9.705 749 HG22 ILE 102 2HG2 ILE 102 -0.957 -4.473 -10.969 750 HG23 ILE 102 3HG2 ILE 102 -2.467 -5.299 -11.356 751 HD11 ILE 102 3HD1 ILE 102 -2.651 -0.142 -9.398 752 HD12 ILE 102 1HD1 ILE 102 -4.077 -1.139 -9.677 753 HD13 ILE 102 2HD1 ILE 102 -3.169 -0.505 -11.046 754 H ASP 103 H ASP 103 -1.039 -0.599 -12.146 755 HA ASP 103 HA ASP 103 1.593 -1.872 -12.267 756 HB2 ASP 103 2HB ASP 103 0.908 0.681 -13.736 757 HB3 ASP 103 1HB ASP 103 2.471 -0.126 -13.706 758 H ALA 104 H ALA 104 3.203 -0.788 -11.030 759 HA ALA 104 HA ALA 104 2.422 0.327 -8.656 760 HB1 ALA 104 1HB ALA 104 4.667 -0.490 -9.032 761 HB2 ALA 104 2HB ALA 104 4.708 1.157 -8.402 762 HB3 ALA 104 3HB ALA 104 5.001 0.861 -10.116 763 H THR 105 H THR 105 2.988 1.928 -11.712 764 HA THR 105 HA THR 105 2.892 4.597 -10.816 765 HB THR 105 HB THR 105 2.084 3.454 -13.496 766 HG1 THR 105 1HG THR 105 4.251 3.083 -13.176 767 HG21 THR 105 3HG2 THR 105 1.106 5.623 -13.246 768 HG22 THR 105 1HG2 THR 105 2.511 5.772 -14.301 769 HG23 THR 105 2HG2 THR 105 2.616 6.283 -12.616 770 H LYS 106 H LYS 106 0.377 2.450 -12.110 771 HA LYS 106 HA LYS 106 -1.759 4.247 -11.989 772 HB2 LYS 106 2HB LYS 106 -1.834 1.239 -11.651 773 HB3 LYS 106 1HB LYS 106 -3.204 2.264 -12.059 774 HG2 LYS 106 2HG LYS 106 -2.232 2.830 -14.171 775 HG3 LYS 106 1HG LYS 106 -0.735 1.994 -13.756 776 HD2 LYS 106 2HD LYS 106 -1.950 0.531 -15.178 777 HD3 LYS 106 1HD LYS 106 -2.112 -0.111 -13.543 778 HE2 LYS 106 2HE LYS 106 -4.252 -0.193 -14.654 779 HE3 LYS 106 1HE LYS 106 -4.304 0.999 -13.356 780 HZ1 LYS 106 3HZ LYS 106 -3.975 2.744 -15.003 781 HZ2 LYS 106 1HZ LYS 106 -5.362 1.838 -15.350 782 HZ3 LYS 106 2HZ LYS 106 -3.946 1.595 -16.245 783 H LEU 107 H LEU 107 -0.967 1.648 -9.645 784 HA LEU 107 HA LEU 107 -2.855 2.249 -7.734 785 HB2 LEU 107 2HB LEU 107 -0.674 0.551 -7.890 786 HB3 LEU 107 1HB LEU 107 -0.262 1.601 -6.551 787 HG LEU 107 HG LEU 107 -2.503 -0.369 -6.782 788 HD11 LEU 107 1HD1 LEU 107 -0.522 -1.179 -5.744 789 HD12 LEU 107 2HD1 LEU 107 -1.705 -0.896 -4.467 790 HD13 LEU 107 3HD1 LEU 107 -0.394 0.258 -4.728 791 HD21 LEU 107 3HD2 LEU 107 -3.644 1.668 -6.144 792 HD22 LEU 107 1HD2 LEU 107 -2.445 1.979 -4.889 793 HD23 LEU 107 2HD2 LEU 107 -3.525 0.592 -4.754 794 H SER 108 H SER 108 0.503 3.438 -7.828 795 HA SER 108 HA SER 108 0.320 5.213 -5.681 796 HB2 SER 108 2HB SER 108 2.058 5.364 -8.153 797 HB3 SER 108 1HB SER 108 2.301 6.322 -6.691 798 HG SER 108 HG SER 108 2.999 4.591 -5.648 799 H ARG 109 H ARG 109 -0.710 5.517 -8.987 800 HA ARG 109 HA ARG 109 -1.015 8.342 -8.983 801 HB2 ARG 109 2HB ARG 109 -0.775 6.930 -11.041 802 HB3 ARG 109 1HB ARG 109 -2.389 6.310 -10.748 803 HG2 ARG 109 2HG ARG 109 -1.917 9.249 -11.021 804 HG3 ARG 109 1HG ARG 109 -2.072 8.218 -12.444 805 HD2 ARG 109 2HD ARG 109 -4.238 7.389 -11.461 806 HD3 ARG 109 1HD ARG 109 -4.093 8.673 -10.255 807 HE ARG 109 HE ARG 109 -3.893 10.070 -12.511 808 HH11 ARG 109 1HH1 ARG 109 -6.116 7.539 -11.614 809 HH12 ARG 109 2HH1 ARG 109 -7.409 8.156 -12.585 810 HH21 ARG 109 1HH2 ARG 109 -5.593 10.887 -13.790 811 HH22 ARG 109 2HH2 ARG 109 -7.114 10.058 -13.822 812 H PHE 110 H PHE 110 -3.503 5.800 -9.157 813 HA PHE 110 HA PHE 110 -5.737 7.235 -8.605 814 HB2 PHE 110 2HB PHE 110 -4.941 4.444 -7.841 815 HB3 PHE 110 1HB PHE 110 -6.477 5.102 -7.276 816 HD1 PHE 110 1HD PHE 110 -4.500 4.483 -10.361 817 HD2 PHE 110 2HD PHE 110 -8.351 5.060 -8.646 818 HE1 PHE 110 1HE PHE 110 -5.538 3.901 -12.512 819 HE2 PHE 110 2HE PHE 110 -9.399 4.478 -10.796 820 HZ PHE 110 HZ PHE 110 -7.992 3.899 -12.733 821 H ILE 111 H ILE 111 -3.405 5.997 -6.247 822 HA ILE 111 HA ILE 111 -4.744 6.920 -3.941 823 HB ILE 111 HB ILE 111 -1.795 6.440 -4.416 824 HG12 ILE 111 2HG1 ILE 111 -3.783 4.752 -2.895 825 HG13 ILE 111 1HG1 ILE 111 -3.432 4.511 -4.599 826 HG21 ILE 111 1HG2 ILE 111 -1.595 6.395 -1.967 827 HG22 ILE 111 2HG2 ILE 111 -3.277 6.906 -1.832 828 HG23 ILE 111 3HG2 ILE 111 -2.083 7.981 -2.565 829 HD11 ILE 111 3HD1 ILE 111 -1.426 4.342 -2.369 830 HD12 ILE 111 1HD1 ILE 111 -1.113 4.042 -4.078 831 HD13 ILE 111 2HD1 ILE 111 -2.188 2.971 -3.177 832 H GLU 112 H GLU 112 -1.968 8.302 -5.699 833 HA GLU 112 HA GLU 112 -1.743 10.692 -4.343 834 HB2 GLU 112 2HB GLU 112 -0.203 9.813 -6.125 835 HB3 GLU 112 1HB GLU 112 -1.383 10.333 -7.324 836 HG2 GLU 112 2HG GLU 112 -0.317 12.295 -5.348 837 HG3 GLU 112 1HG GLU 112 0.658 11.836 -6.741 838 H ILE 113 H ILE 113 -4.171 9.612 -6.477 839 HA ILE 113 HA ILE 113 -5.202 12.226 -7.129 840 HB ILE 113 HB ILE 113 -5.667 9.468 -8.007 841 HG12 ILE 113 2HG1 ILE 113 -5.961 10.558 -10.171 842 HG13 ILE 113 1HG1 ILE 113 -6.015 12.134 -9.389 843 HG21 ILE 113 1HG2 ILE 113 -7.931 9.941 -8.896 844 HG22 ILE 113 2HG2 ILE 113 -7.987 11.373 -7.868 845 HG23 ILE 113 3HG2 ILE 113 -7.861 9.769 -7.144 846 HD11 ILE 113 3HD1 ILE 113 -3.648 10.274 -9.393 847 HD12 ILE 113 1HD1 ILE 113 -3.709 11.890 -8.689 848 HD13 ILE 113 2HD1 ILE 113 -3.852 11.682 -10.434 849 H ASN 114 H ASN 114 -6.062 9.537 -4.980 850 HA ASN 114 HA ASN 114 -8.121 11.290 -3.806 851 HB2 ASN 114 2HB ASN 114 -8.215 8.291 -4.142 852 HB3 ASN 114 1HB ASN 114 -9.376 9.225 -3.201 853 HD21 ASN 114 1HD2 ASN 114 -9.596 7.571 -5.687 854 HD22 ASN 114 2HD2 ASN 114 -10.385 8.601 -6.828 855 H SER 115 H SER 115 -5.306 10.979 -3.013 856 HA SER 115 HA SER 115 -5.380 9.513 -0.524 857 HB2 SER 115 2HB SER 115 -3.072 10.324 -0.235 858 HB3 SER 115 1HB SER 115 -3.300 9.626 -1.840 859 HG SER 115 HG SER 115 -3.148 12.358 -1.118 860 H LEU 116 H LEU 116 -7.373 11.447 -0.680 861 HA LEU 116 HA LEU 116 -6.514 13.733 0.891 862 HB2 LEU 116 2HB LEU 116 -9.284 13.008 -0.046 863 HB3 LEU 116 1HB LEU 116 -8.750 14.565 0.564 864 HG LEU 116 HG LEU 116 -7.845 13.291 -2.019 865 HD11 LEU 116 1HD1 LEU 116 -9.141 15.043 -3.099 866 HD12 LEU 116 2HD1 LEU 116 -9.675 15.636 -1.527 867 HD13 LEU 116 3HD1 LEU 116 -10.173 14.038 -2.082 868 HD21 LEU 116 3HD2 LEU 116 -6.104 14.680 -1.026 869 HD22 LEU 116 1HD2 LEU 116 -7.250 16.009 -0.849 870 HD23 LEU 116 2HD2 LEU 116 -6.783 15.456 -2.457 Start of MODEL 25 1 H GLU 1 H GLU 1 24.385 -23.602 12.873 2 HA GLU 1 HA GLU 1 24.164 -24.971 10.402 3 HB2 GLU 1 2HB GLU 1 21.653 -23.464 11.158 4 HB3 GLU 1 1HB GLU 1 22.000 -24.143 9.575 5 HG2 GLU 1 2HG GLU 1 21.980 -26.380 10.493 6 HG3 GLU 1 1HG GLU 1 21.733 -25.735 12.116 7 H VAL 2 H VAL 2 23.359 -21.901 11.982 8 HA VAL 2 HA VAL 2 23.629 -19.730 11.263 9 HB VAL 2 HB VAL 2 26.067 -19.154 11.040 10 HG11 VAL 2 1HG1 VAL 2 24.935 -19.150 13.189 11 HG12 VAL 2 2HG1 VAL 2 26.592 -19.728 13.366 12 HG13 VAL 2 3HG1 VAL 2 25.252 -20.874 13.380 13 HG21 VAL 2 3HG2 VAL 2 27.713 -20.899 11.497 14 HG22 VAL 2 1HG2 VAL 2 26.831 -21.240 10.009 15 HG23 VAL 2 2HG2 VAL 2 26.437 -22.117 11.488 16 H GLU 3 H GLU 3 22.415 -20.522 9.205 17 HA GLU 3 HA GLU 3 23.865 -20.720 6.773 18 HB2 GLU 3 2HB GLU 3 20.977 -19.945 7.222 19 HB3 GLU 3 1HB GLU 3 21.682 -20.441 5.689 20 HG2 GLU 3 2HG GLU 3 21.545 -22.170 8.148 21 HG3 GLU 3 1HG GLU 3 20.392 -22.220 6.815 22 H LYS 4 H LYS 4 22.686 -18.053 8.661 23 HA LYS 4 HA LYS 4 22.653 -16.067 6.665 24 HB2 LYS 4 2HB LYS 4 23.204 -15.756 9.621 25 HB3 LYS 4 1HB LYS 4 22.744 -14.467 8.518 26 HG2 LYS 4 2HG LYS 4 20.599 -15.616 8.115 27 HG3 LYS 4 1HG LYS 4 21.062 -16.838 9.301 28 HD2 LYS 4 2HD LYS 4 19.638 -15.252 10.389 29 HD3 LYS 4 1HD LYS 4 21.279 -15.013 10.990 30 HE2 LYS 4 2HE LYS 4 21.570 -13.122 9.487 31 HE3 LYS 4 1HE LYS 4 19.959 -13.380 8.824 32 HZ1 LYS 4 3HZ LYS 4 19.950 -11.611 10.455 33 HZ2 LYS 4 1HZ LYS 4 20.586 -12.647 11.633 34 HZ3 LYS 4 2HZ LYS 4 19.034 -12.918 11.016 35 H SER 5 H SER 5 24.172 -14.576 6.004 36 HA SER 5 HA SER 5 26.903 -14.831 7.018 37 HB2 SER 5 2HB SER 5 26.181 -15.033 4.083 38 HB3 SER 5 1HB SER 5 27.819 -14.957 4.733 39 HG SER 5 HG SER 5 27.644 -16.967 5.470 40 H SER 6 H SER 6 24.425 -13.036 5.389 41 HA SER 6 HA SER 6 25.754 -10.552 6.053 42 HB2 SER 6 2HB SER 6 25.064 -11.220 3.180 43 HB3 SER 6 1HB SER 6 25.578 -9.635 3.759 44 HG SER 6 HG SER 6 27.483 -10.419 3.271 45 H ASP 7 H ASP 7 24.155 -9.667 7.207 46 HA ASP 7 HA ASP 7 21.431 -9.722 6.091 47 HB2 ASP 7 2HB ASP 7 21.607 -10.801 8.278 48 HB3 ASP 7 1HB ASP 7 22.324 -9.343 8.957 49 H GLY 8 H GLY 8 21.045 -7.911 4.998 50 HA2 GLY 8 2HA GLY 8 21.738 -5.354 6.300 51 HA3 GLY 8 1HA GLY 8 22.003 -5.602 4.581 52 HA PRO 9 HA PRO 9 17.801 -3.567 5.414 53 HB2 PRO 9 2HB PRO 9 18.777 -2.012 3.075 54 HB3 PRO 9 1HB PRO 9 17.952 -1.454 4.535 55 HG2 PRO 9 2HG PRO 9 20.559 -1.034 4.204 56 HG3 PRO 9 1HG PRO 9 19.900 -1.456 5.795 57 HD2 PRO 9 2HD PRO 9 21.381 -3.166 3.840 58 HD3 PRO 9 1HD PRO 9 21.477 -3.137 5.612 59 H GLY 10 H GLY 10 16.075 -4.459 4.484 60 HA2 GLY 10 2HA GLY 10 15.689 -4.745 1.710 61 HA3 GLY 10 1HA GLY 10 16.234 -6.283 2.363 62 H ALA 11 H ALA 11 13.930 -3.723 3.301 63 HA ALA 11 HA ALA 11 11.659 -5.406 3.086 64 HB1 ALA 11 1HB ALA 11 12.662 -4.909 5.890 65 HB2 ALA 11 2HB ALA 11 12.590 -6.469 5.070 66 HB3 ALA 11 3HB ALA 11 11.102 -5.612 5.468 67 H ALA 12 H ALA 12 12.980 -2.727 5.010 68 HA ALA 12 HA ALA 12 12.297 -0.594 5.353 69 HB1 ALA 12 1HB ALA 12 10.611 -0.861 2.880 70 HB2 ALA 12 2HB ALA 12 12.362 -0.668 2.827 71 HB3 ALA 12 3HB ALA 12 11.356 0.593 3.546 72 H GLN 13 H GLN 13 9.288 -1.586 3.780 73 HA GLN 13 HA GLN 13 7.896 -1.994 6.252 74 HB2 GLN 13 2HB GLN 13 6.322 -0.102 5.970 75 HB3 GLN 13 1HB GLN 13 7.964 0.423 6.316 76 HG2 GLN 13 2HG GLN 13 8.304 0.888 3.934 77 HG3 GLN 13 1HG GLN 13 6.643 0.393 3.611 78 HE21 GLN 13 1HE2 GLN 13 8.692 2.819 5.029 79 HE22 GLN 13 2HE2 GLN 13 7.481 4.042 5.186 80 H GLU 14 H GLU 14 6.007 -3.087 5.963 81 HA GLU 14 HA GLU 14 5.129 -3.504 3.180 82 HB2 GLU 14 2HB GLU 14 4.676 -5.802 3.658 83 HB3 GLU 14 1HB GLU 14 6.310 -5.468 4.213 84 HG2 GLU 14 2HG GLU 14 5.471 -5.254 6.508 85 HG3 GLU 14 1HG GLU 14 3.847 -5.634 5.935 86 HA PRO 15 HA PRO 15 1.056 -2.325 4.365 87 HB2 PRO 15 2HB PRO 15 -0.507 -4.118 3.014 88 HB3 PRO 15 1HB PRO 15 0.304 -2.746 2.251 89 HG2 PRO 15 2HG PRO 15 1.106 -5.619 2.332 90 HG3 PRO 15 1HG PRO 15 1.208 -4.458 0.996 91 HD2 PRO 15 2HD PRO 15 3.349 -5.153 2.506 92 HD3 PRO 15 1HD PRO 15 3.171 -3.548 1.769 93 H THR 16 H THR 16 -0.367 -2.662 5.972 94 HA THR 16 HA THR 16 0.045 -4.628 7.899 95 HB THR 16 HB THR 16 -2.545 -3.135 7.452 96 HG1 THR 16 1HG THR 16 -0.670 -2.189 9.274 97 HG21 THR 16 3HG2 THR 16 -2.665 -4.950 9.098 98 HG22 THR 16 1HG2 THR 16 -2.797 -3.371 9.874 99 HG23 THR 16 2HG2 THR 16 -1.280 -4.267 9.951 100 H TRP 17 H TRP 17 -1.149 -6.428 8.551 101 HA TRP 17 HA TRP 17 -2.426 -7.860 6.346 102 HB2 TRP 17 2HB TRP 17 -1.444 -8.825 9.040 103 HB3 TRP 17 1HB TRP 17 -2.146 -9.855 7.797 104 HD1 TRP 17 HD TRP 17 1.059 -8.042 8.727 105 HE1 TRP 17 1HE TRP 17 2.936 -8.780 7.129 106 HE3 TRP 17 3HE TRP 17 -1.735 -10.685 5.357 107 HZ2 TRP 17 2HZ TRP 17 3.198 -10.282 4.754 108 HZ3 TRP 17 3HZ TRP 17 -0.594 -11.742 3.451 109 HH2 TRP 17 HH TRP 17 1.822 -11.543 3.156 110 H LEU 18 H LEU 18 -4.489 -7.016 6.301 111 HA LEU 18 HA LEU 18 -6.097 -7.008 8.733 112 HB2 LEU 18 2HB LEU 18 -6.884 -6.249 5.921 113 HB3 LEU 18 1HB LEU 18 -7.773 -5.894 7.390 114 HG LEU 18 HG LEU 18 -5.051 -4.788 6.710 115 HD11 LEU 18 1HD1 LEU 18 -6.247 -2.656 6.424 116 HD12 LEU 18 2HD1 LEU 18 -7.775 -3.519 6.589 117 HD13 LEU 18 3HD1 LEU 18 -6.708 -3.868 5.231 118 HD21 LEU 18 3HD2 LEU 18 -6.930 -4.256 9.001 119 HD22 LEU 18 1HD2 LEU 18 -5.520 -3.267 8.619 120 HD23 LEU 18 2HD2 LEU 18 -5.314 -4.957 9.085 121 H THR 19 H THR 19 -5.865 -9.394 8.864 122 HA THR 19 HA THR 19 -7.162 -11.053 6.929 123 HB THR 19 HB THR 19 -6.806 -12.877 8.506 124 HG1 THR 19 1HG THR 19 -5.479 -11.354 10.384 125 HG21 THR 19 3HG2 THR 19 -4.449 -10.995 8.352 126 HG22 THR 19 1HG2 THR 19 -4.912 -12.187 7.137 127 HG23 THR 19 2HG2 THR 19 -4.360 -12.717 8.726 128 H ASP 20 H ASP 20 -8.509 -8.912 8.997 129 HA ASP 20 HA ASP 20 -11.011 -10.414 9.039 130 HB2 ASP 20 2HB ASP 20 -9.732 -9.209 11.496 131 HB3 ASP 20 1HB ASP 20 -11.419 -9.713 11.418 132 H VAL 21 H VAL 21 -12.871 -9.164 9.076 133 HA VAL 21 HA VAL 21 -12.772 -6.706 7.775 134 HB VAL 21 HB VAL 21 -15.042 -7.693 9.508 135 HG11 VAL 21 1HG1 VAL 21 -15.283 -5.366 8.873 136 HG12 VAL 21 2HG1 VAL 21 -16.438 -6.359 7.984 137 HG13 VAL 21 3HG1 VAL 21 -14.980 -5.772 7.183 138 HG21 VAL 21 3HG2 VAL 21 -14.433 -9.422 7.942 139 HG22 VAL 21 1HG2 VAL 21 -14.408 -8.260 6.616 140 HG23 VAL 21 2HG2 VAL 21 -15.931 -8.658 7.410 141 HA PRO 22 HA PRO 22 -13.684 -4.623 12.126 142 HB2 PRO 22 2HB PRO 22 -12.435 -5.972 14.191 143 HB3 PRO 22 1HB PRO 22 -14.162 -6.051 13.838 144 HG2 PRO 22 2HG PRO 22 -11.983 -7.954 13.089 145 HG3 PRO 22 1HG PRO 22 -13.633 -8.300 13.643 146 HD2 PRO 22 2HD PRO 22 -12.973 -8.491 11.061 147 HD3 PRO 22 1HD PRO 22 -14.558 -7.862 11.555 148 H ALA 23 H ALA 23 -10.726 -6.597 11.869 149 HA ALA 23 HA ALA 23 -8.989 -4.635 12.901 150 HB1 ALA 23 1HB ALA 23 -8.322 -6.880 10.998 151 HB2 ALA 23 2HB ALA 23 -8.400 -7.025 12.754 152 HB3 ALA 23 3HB ALA 23 -7.183 -5.990 12.008 153 H ALA 24 H ALA 24 -10.160 -5.358 9.708 154 HA ALA 24 HA ALA 24 -8.430 -3.693 8.231 155 HB1 ALA 24 1HB ALA 24 -11.237 -4.648 7.658 156 HB2 ALA 24 2HB ALA 24 -9.726 -5.349 7.080 157 HB3 ALA 24 3HB ALA 24 -10.242 -3.765 6.498 158 H MET 25 H MET 25 -11.803 -3.147 9.220 159 HA MET 25 HA MET 25 -11.924 -0.443 8.509 160 HB2 MET 25 2HB MET 25 -13.514 -1.811 10.682 161 HB3 MET 25 1HB MET 25 -13.964 -0.358 9.799 162 HG2 MET 25 2HG MET 25 -14.037 -1.696 7.722 163 HG3 MET 25 1HG MET 25 -13.715 -3.137 8.680 164 HE1 MET 25 3HE MET 25 -15.943 -0.003 9.517 165 HE2 MET 25 1HE MET 25 -17.541 -0.582 9.043 166 HE3 MET 25 2HE MET 25 -16.301 -0.314 7.818 167 H GLU 26 H GLU 26 -10.585 -2.014 11.309 168 HA GLU 26 HA GLU 26 -10.617 0.283 13.007 169 HB2 GLU 26 2HB GLU 26 -9.276 -2.387 13.092 170 HB3 GLU 26 1HB GLU 26 -8.700 -1.111 14.158 171 HG2 GLU 26 2HG GLU 26 -11.098 -0.857 14.920 172 HG3 GLU 26 1HG GLU 26 -11.418 -2.368 14.069 173 H PHE 27 H PHE 27 -8.051 -1.299 11.107 174 HA PHE 27 HA PHE 27 -6.072 0.599 11.656 175 HB2 PHE 27 2HB PHE 27 -6.454 -1.501 9.586 176 HB3 PHE 27 1HB PHE 27 -5.258 -0.251 9.251 177 HD1 PHE 27 2HD PHE 27 -6.159 -3.035 11.462 178 HD2 PHE 27 1HD PHE 27 -3.226 -0.103 10.517 179 HE1 PHE 27 2HE PHE 27 -4.532 -4.212 12.882 180 HE2 PHE 27 1HE PHE 27 -1.593 -1.273 11.937 181 HZ PHE 27 HZ PHE 27 -2.246 -3.330 13.124 182 H ILE 28 H ILE 28 -8.686 0.544 9.338 183 HA ILE 28 HA ILE 28 -7.779 2.830 7.856 184 HB ILE 28 HB ILE 28 -10.420 1.390 8.011 185 HG12 ILE 28 2HG1 ILE 28 -8.630 1.854 5.623 186 HG13 ILE 28 1HG1 ILE 28 -8.426 0.479 6.709 187 HG21 ILE 28 1HG2 ILE 28 -9.797 3.903 6.475 188 HG22 ILE 28 2HG2 ILE 28 -11.023 3.687 7.723 189 HG23 ILE 28 3HG2 ILE 28 -11.194 2.874 6.170 190 HD11 ILE 28 3HD1 ILE 28 -11.052 1.036 5.390 191 HD12 ILE 28 1HD1 ILE 28 -10.451 -0.476 6.070 192 HD13 ILE 28 2HD1 ILE 28 -9.776 0.147 4.563 193 H ALA 29 H ALA 29 -9.963 2.251 10.549 194 HA ALA 29 HA ALA 29 -10.942 4.924 10.726 195 HB1 ALA 29 1HB ALA 29 -11.871 4.200 12.887 196 HB2 ALA 29 2HB ALA 29 -10.972 2.688 12.755 197 HB3 ALA 29 3HB ALA 29 -12.240 3.066 11.589 198 H ALA 30 H ALA 30 -8.065 3.374 11.729 199 HA ALA 30 HA ALA 30 -7.496 5.380 13.778 200 HB1 ALA 30 1HB ALA 30 -5.911 2.963 12.920 201 HB2 ALA 30 2HB ALA 30 -6.985 3.062 14.315 202 HB3 ALA 30 3HB ALA 30 -5.512 4.030 14.265 203 H THR 31 H THR 31 -7.635 5.994 10.873 204 HA THR 31 HA THR 31 -5.362 7.693 10.733 205 HB THR 31 HB THR 31 -4.205 5.635 10.121 206 HG1 THR 31 1HG THR 31 -3.206 6.537 8.405 207 HG21 THR 31 3HG2 THR 31 -6.401 4.652 9.143 208 HG22 THR 31 1HG2 THR 31 -4.856 4.207 8.422 209 HG23 THR 31 2HG2 THR 31 -5.872 5.423 7.648 210 H GLU 32 H GLU 32 -5.409 9.112 8.926 211 HA GLU 32 HA GLU 32 -8.004 9.789 8.037 212 HB2 GLU 32 2HB GLU 32 -5.843 11.235 8.292 213 HB3 GLU 32 1HB GLU 32 -5.515 10.723 6.642 214 HG2 GLU 32 2HG GLU 32 -7.583 11.695 5.885 215 HG3 GLU 32 1HG GLU 32 -8.025 12.113 7.542 216 H VAL 33 H VAL 33 -5.253 9.085 5.881 217 HA VAL 33 HA VAL 33 -7.138 7.890 3.983 218 HB VAL 33 HB VAL 33 -4.244 8.584 3.495 219 HG11 VAL 33 1HG1 VAL 33 -5.125 7.008 1.896 220 HG12 VAL 33 2HG1 VAL 33 -4.954 8.587 1.124 221 HG13 VAL 33 3HG1 VAL 33 -6.550 8.019 1.632 222 HG21 VAL 33 3HG2 VAL 33 -6.726 10.232 3.053 223 HG22 VAL 33 1HG2 VAL 33 -5.142 10.613 2.375 224 HG23 VAL 33 2HG2 VAL 33 -5.373 10.606 4.124 225 H ALA 34 H ALA 34 -7.025 5.788 3.330 226 HA ALA 34 HA ALA 34 -4.810 4.133 4.285 227 HB1 ALA 34 1HB ALA 34 -7.712 3.621 4.906 228 HB2 ALA 34 2HB ALA 34 -6.399 3.893 6.050 229 HB3 ALA 34 3HB ALA 34 -6.440 2.413 5.089 230 H VAL 35 H VAL 35 -4.108 2.840 2.739 231 HA VAL 35 HA VAL 35 -5.965 2.114 0.574 232 HB VAL 35 HB VAL 35 -2.986 2.574 0.484 233 HG11 VAL 35 1HG1 VAL 35 -4.773 1.388 -1.647 234 HG12 VAL 35 2HG1 VAL 35 -3.468 0.558 -0.800 235 HG13 VAL 35 3HG1 VAL 35 -3.101 1.898 -1.886 236 HG21 VAL 35 3HG2 VAL 35 -4.339 4.558 0.320 237 HG22 VAL 35 1HG2 VAL 35 -5.359 3.802 -0.905 238 HG23 VAL 35 2HG2 VAL 35 -3.674 4.187 -1.273 239 H ILE 36 H ILE 36 -6.336 0.039 0.203 240 HA ILE 36 HA ILE 36 -4.601 -1.943 1.498 241 HB ILE 36 HB ILE 36 -7.606 -1.851 1.722 242 HG12 ILE 36 2HG1 ILE 36 -5.683 -1.856 4.015 243 HG13 ILE 36 1HG1 ILE 36 -5.985 -0.356 3.152 244 HG21 ILE 36 1HG2 ILE 36 -5.608 -3.919 2.633 245 HG22 ILE 36 2HG2 ILE 36 -6.965 -4.140 1.524 246 HG23 ILE 36 3HG2 ILE 36 -7.264 -3.824 3.234 247 HD11 ILE 36 3HD1 ILE 36 -7.960 -2.046 4.641 248 HD12 ILE 36 1HD1 ILE 36 -8.408 -0.689 3.608 249 HD13 ILE 36 2HD1 ILE 36 -7.405 -0.417 5.034 250 H GLY 37 H GLY 37 -4.277 -3.790 0.425 251 HA2 GLY 37 2HA GLY 37 -5.522 -4.020 -2.219 252 HA3 GLY 37 1HA GLY 37 -4.008 -4.762 -1.738 253 H PHE 38 H PHE 38 -7.428 -5.098 -1.895 254 HA PHE 38 HA PHE 38 -7.524 -7.508 -0.282 255 HB2 PHE 38 2HB PHE 38 -9.664 -6.336 -2.071 256 HB3 PHE 38 1HB PHE 38 -9.885 -7.541 -0.806 257 HD1 PHE 38 2HD PHE 38 -8.727 -4.047 -1.321 258 HD2 PHE 38 1HD PHE 38 -10.487 -6.877 1.323 259 HE1 PHE 38 2HE PHE 38 -9.149 -2.258 0.307 260 HE2 PHE 38 1HE PHE 38 -10.914 -5.085 2.956 261 HZ PHE 38 HZ PHE 38 -10.245 -2.774 2.448 262 H PHE 39 H PHE 39 -6.184 -8.962 -1.299 263 HA PHE 39 HA PHE 39 -6.877 -9.690 -4.063 264 HB2 PHE 39 2HB PHE 39 -4.325 -10.352 -2.600 265 HB3 PHE 39 1HB PHE 39 -4.642 -10.503 -4.326 266 HD1 PHE 39 1HD PHE 39 -5.839 -7.963 -5.032 267 HD2 PHE 39 2HD PHE 39 -2.649 -8.793 -2.344 268 HE1 PHE 39 1HE PHE 39 -4.946 -5.703 -5.400 269 HE2 PHE 39 2HE PHE 39 -1.751 -6.532 -2.706 270 HZ PHE 39 HZ PHE 39 -2.900 -4.983 -4.235 271 H GLN 40 H GLN 40 -7.280 -11.781 -4.625 272 HA GLN 40 HA GLN 40 -7.878 -13.622 -2.445 273 HB2 GLN 40 2HB GLN 40 -8.429 -13.772 -5.420 274 HB3 GLN 40 1HB GLN 40 -8.906 -15.005 -4.262 275 HG2 GLN 40 2HG GLN 40 -10.318 -13.380 -3.110 276 HG3 GLN 40 1HG GLN 40 -9.840 -12.143 -4.272 277 HE21 GLN 40 1HE2 GLN 40 -10.622 -12.241 -6.374 278 HE22 GLN 40 2HE2 GLN 40 -11.974 -13.225 -6.809 279 H ASP 41 H ASP 41 -5.331 -12.793 -4.280 280 HA ASP 41 HA ASP 41 -3.880 -15.226 -3.714 281 HB2 ASP 41 2HB ASP 41 -4.874 -15.668 -5.953 282 HB3 ASP 41 1HB ASP 41 -4.105 -14.202 -6.562 283 H LEU 42 H LEU 42 -2.037 -14.513 -2.824 284 HA LEU 42 HA LEU 42 -1.158 -11.805 -3.385 285 HB2 LEU 42 2HB LEU 42 -0.121 -13.844 -1.420 286 HB3 LEU 42 1HB LEU 42 0.456 -12.192 -1.553 287 HG LEU 42 HG LEU 42 -2.342 -13.017 -0.784 288 HD11 LEU 42 1HD1 LEU 42 -1.746 -12.177 1.426 289 HD12 LEU 42 2HD1 LEU 42 -0.105 -11.854 0.870 290 HD13 LEU 42 3HD1 LEU 42 -0.698 -13.514 0.951 291 HD21 LEU 42 3HD2 LEU 42 -2.399 -10.914 -1.952 292 HD22 LEU 42 1HD2 LEU 42 -1.044 -10.302 -1.000 293 HD23 LEU 42 2HD2 LEU 42 -2.600 -10.612 -0.226 294 H GLU 43 H GLU 43 -0.895 -13.359 -5.599 295 HA GLU 43 HA GLU 43 2.023 -13.437 -5.902 296 HB2 GLU 43 2HB GLU 43 0.158 -15.493 -7.100 297 HB3 GLU 43 1HB GLU 43 1.907 -15.453 -7.247 298 HG2 GLU 43 2HG GLU 43 2.158 -15.900 -4.904 299 HG3 GLU 43 1HG GLU 43 0.413 -15.815 -4.669 300 H ILE 44 H ILE 44 -0.564 -11.838 -6.668 301 HA ILE 44 HA ILE 44 -0.247 -11.718 -9.566 302 HB ILE 44 HB ILE 44 -2.075 -9.923 -9.309 303 HG12 ILE 44 2HG1 ILE 44 -2.661 -11.281 -6.715 304 HG13 ILE 44 1HG1 ILE 44 -1.555 -9.917 -6.743 305 HG21 ILE 44 1HG2 ILE 44 -2.395 -12.235 -10.153 306 HG22 ILE 44 2HG2 ILE 44 -3.806 -11.590 -9.315 307 HG23 ILE 44 3HG2 ILE 44 -2.754 -12.750 -8.501 308 HD11 ILE 44 3HD1 ILE 44 -3.635 -9.018 -6.225 309 HD12 ILE 44 1HD1 ILE 44 -4.454 -9.985 -7.453 310 HD13 ILE 44 2HD1 ILE 44 -3.400 -8.658 -7.936 311 HA PRO 45 HA PRO 45 2.325 -8.150 -9.939 312 HB2 PRO 45 2HB PRO 45 0.068 -6.900 -11.446 313 HB3 PRO 45 1HB PRO 45 1.766 -7.049 -11.898 314 HG2 PRO 45 2HG PRO 45 -0.044 -8.636 -13.001 315 HG3 PRO 45 1HG PRO 45 1.537 -9.282 -12.524 316 HD2 PRO 45 2HD PRO 45 -1.121 -9.583 -11.189 317 HD3 PRO 45 1HD PRO 45 0.210 -10.748 -11.333 318 H ALA 46 H ALA 46 -1.004 -7.701 -8.951 319 HA ALA 46 HA ALA 46 -0.863 -5.007 -8.166 320 HB1 ALA 46 1HB ALA 46 -2.624 -7.091 -6.911 321 HB2 ALA 46 2HB ALA 46 -2.932 -6.399 -8.503 322 HB3 ALA 46 3HB ALA 46 -2.933 -5.361 -7.074 323 H VAL 47 H VAL 47 -0.168 -7.989 -6.374 324 HA VAL 47 HA VAL 47 -0.004 -6.850 -3.834 325 HB VAL 47 HB VAL 47 1.812 -9.111 -4.585 326 HG11 VAL 47 1HG1 VAL 47 1.199 -9.910 -2.356 327 HG12 VAL 47 2HG1 VAL 47 0.123 -8.527 -2.153 328 HG13 VAL 47 3HG1 VAL 47 1.864 -8.277 -2.292 329 HG21 VAL 47 3HG2 VAL 47 -0.089 -10.652 -4.324 330 HG22 VAL 47 1HG2 VAL 47 -0.266 -9.599 -5.727 331 HG23 VAL 47 2HG2 VAL 47 -1.181 -9.269 -4.256 332 HA PRO 48 HA PRO 48 4.811 -6.312 -4.501 333 HB2 PRO 48 2HB PRO 48 4.910 -6.065 -7.456 334 HB3 PRO 48 1HB PRO 48 6.042 -6.862 -6.354 335 HG2 PRO 48 2HG PRO 48 4.408 -8.287 -7.907 336 HG3 PRO 48 1HG PRO 48 4.779 -8.803 -6.250 337 HD2 PRO 48 2HD PRO 48 2.329 -7.462 -7.317 338 HD3 PRO 48 1HD PRO 48 2.469 -8.757 -6.118 339 H ILE 49 H ILE 49 2.648 -4.977 -6.952 340 HA ILE 49 HA ILE 49 3.776 -2.418 -7.103 341 HB ILE 49 HB ILE 49 1.141 -3.590 -7.839 342 HG12 ILE 49 2HG1 ILE 49 2.882 -1.918 -9.585 343 HG13 ILE 49 1HG1 ILE 49 3.426 -3.530 -9.145 344 HG21 ILE 49 1HG2 ILE 49 1.690 -0.680 -7.522 345 HG22 ILE 49 2HG2 ILE 49 0.232 -1.598 -7.148 346 HG23 ILE 49 3HG2 ILE 49 0.642 -1.243 -8.825 347 HD11 ILE 49 3HD1 ILE 49 0.716 -3.059 -10.320 348 HD12 ILE 49 1HD1 ILE 49 1.651 -4.554 -10.245 349 HD13 ILE 49 2HD1 ILE 49 2.152 -3.253 -11.329 350 H LEU 50 H LEU 50 1.382 -3.794 -4.917 351 HA LEU 50 HA LEU 50 0.728 -1.282 -3.702 352 HB2 LEU 50 2HB LEU 50 -0.906 -3.036 -3.613 353 HB3 LEU 50 1HB LEU 50 0.233 -4.128 -2.853 354 HG LEU 50 HG LEU 50 0.264 -2.556 -0.875 355 HD11 LEU 50 1HD1 LEU 50 -1.599 -1.011 -0.633 356 HD12 LEU 50 2HD1 LEU 50 -2.147 -1.398 -2.265 357 HD13 LEU 50 3HD1 LEU 50 -0.603 -0.581 -2.023 358 HD21 LEU 50 3HD2 LEU 50 -1.094 -4.700 -1.108 359 HD22 LEU 50 1HD2 LEU 50 -2.483 -3.652 -1.418 360 HD23 LEU 50 2HD2 LEU 50 -1.614 -3.542 0.117 361 H HIS 51 H HIS 51 2.593 -4.123 -2.608 362 HA HIS 51 HA HIS 51 3.571 -3.083 -0.238 363 HB2 HIS 51 2HB HIS 51 4.846 -4.995 -2.202 364 HB3 HIS 51 1HB HIS 51 5.556 -4.615 -0.637 365 HD1 HIS 51 1HD HIS 51 5.179 -6.590 0.796 366 HD2 HIS 51 2HD HIS 51 1.815 -5.657 -1.458 367 HE1 HIS 51 1HE HIS 51 3.404 -8.211 1.535 368 HE2 HIS 51 2HE HIS 51 1.408 -7.689 0.089 369 H SER 52 H SER 52 4.355 -2.290 -3.493 370 HA SER 52 HA SER 52 6.839 -0.959 -2.838 371 HB2 SER 52 2HB SER 52 6.602 -2.048 -5.024 372 HB3 SER 52 1HB SER 52 5.238 -0.998 -5.411 373 HG SER 52 HG SER 52 7.160 0.617 -4.733 374 H MET 53 H MET 53 3.547 -0.014 -3.826 375 HA MET 53 HA MET 53 3.960 2.753 -3.828 376 HB2 MET 53 2HB MET 53 1.662 2.987 -3.991 377 HB3 MET 53 1HB MET 53 1.899 1.358 -4.599 378 HG2 MET 53 2HG MET 53 0.081 1.134 -3.204 379 HG3 MET 53 1HG MET 53 1.419 0.620 -2.185 380 HE1 MET 53 3HE MET 53 -0.743 2.322 0.522 381 HE2 MET 53 1HE MET 53 0.244 0.924 0.097 382 HE3 MET 53 2HE MET 53 -1.248 1.252 -0.785 383 H VAL 54 H VAL 54 3.622 0.471 -1.289 384 HA VAL 54 HA VAL 54 2.769 1.952 0.865 385 HB VAL 54 HB VAL 54 4.854 -0.213 0.739 386 HG11 VAL 54 1HG1 VAL 54 3.532 0.972 3.167 387 HG12 VAL 54 2HG1 VAL 54 5.240 1.082 2.745 388 HG13 VAL 54 3HG1 VAL 54 4.531 -0.481 3.156 389 HG21 VAL 54 3HG2 VAL 54 2.927 -1.500 1.814 390 HG22 VAL 54 1HG2 VAL 54 2.796 -1.113 0.099 391 HG23 VAL 54 2HG2 VAL 54 1.909 -0.162 1.285 392 H GLN 55 H GLN 55 6.110 1.587 -0.303 393 HA GLN 55 HA GLN 55 7.147 3.454 1.600 394 HB2 GLN 55 2HB GLN 55 8.534 2.558 -0.904 395 HB3 GLN 55 1HB GLN 55 9.240 3.066 0.624 396 HG2 GLN 55 2HG GLN 55 8.293 1.031 1.678 397 HG3 GLN 55 1HG GLN 55 7.744 0.513 0.083 398 HE21 GLN 55 1HE2 GLN 55 10.746 2.214 0.577 399 HE22 GLN 55 2HE2 GLN 55 11.788 0.884 0.221 400 H LYS 56 H LYS 56 5.435 3.789 -1.243 401 HA LYS 56 HA LYS 56 6.704 6.298 -2.027 402 HB2 LYS 56 2HB LYS 56 4.333 4.876 -3.253 403 HB3 LYS 56 1HB LYS 56 5.200 6.241 -3.943 404 HG2 LYS 56 2HG LYS 56 7.203 4.867 -4.156 405 HG3 LYS 56 1HG LYS 56 6.338 3.496 -3.460 406 HD2 LYS 56 2HD LYS 56 6.237 3.142 -5.774 407 HD3 LYS 56 1HD LYS 56 4.663 3.831 -5.367 408 HE2 LYS 56 2HE LYS 56 5.421 4.928 -7.336 409 HE3 LYS 56 1HE LYS 56 5.581 6.072 -6.004 410 HZ1 LYS 56 3HZ LYS 56 7.936 5.531 -5.876 411 HZ2 LYS 56 1HZ LYS 56 7.532 6.101 -7.417 412 HZ3 LYS 56 2HZ LYS 56 7.780 4.447 -7.164 413 H PHE 57 H PHE 57 4.097 5.089 -0.192 414 HA PHE 57 HA PHE 57 3.119 7.822 0.240 415 HB2 PHE 57 2HB PHE 57 1.505 5.388 -0.447 416 HB3 PHE 57 1HB PHE 57 0.793 6.733 0.442 417 HD1 PHE 57 2HD PHE 57 2.200 5.651 -2.758 418 HD2 PHE 57 1HD PHE 57 0.365 8.844 -0.627 419 HE1 PHE 57 2HE PHE 57 1.792 6.827 -4.880 420 HE2 PHE 57 1HE PHE 57 -0.046 10.026 -2.745 421 HZ PHE 57 HZ PHE 57 0.667 9.019 -4.874 422 HA PRO 58 HA PRO 58 4.257 5.444 4.196 423 HB2 PRO 58 2HB PRO 58 5.273 7.802 5.295 424 HB3 PRO 58 1HB PRO 58 6.233 6.511 4.564 425 HG2 PRO 58 2HG PRO 58 5.274 9.076 3.364 426 HG3 PRO 58 1HG PRO 58 6.837 8.257 3.163 427 HD2 PRO 58 2HD PRO 58 4.999 8.118 1.249 428 HD3 PRO 58 1HD PRO 58 5.954 6.684 1.675 429 H GLY 59 H GLY 59 3.026 8.752 3.702 430 HA2 GLY 59 2HA GLY 59 1.643 9.028 6.112 431 HA3 GLY 59 1HA GLY 59 1.222 9.843 4.612 432 H VAL 60 H VAL 60 0.609 7.655 3.030 433 HA VAL 60 HA VAL 60 -2.065 7.122 3.767 434 HB VAL 60 HB VAL 60 -0.237 6.033 1.639 435 HG11 VAL 60 1HG1 VAL 60 -2.099 4.750 0.710 436 HG12 VAL 60 2HG1 VAL 60 -3.094 5.172 2.104 437 HG13 VAL 60 3HG1 VAL 60 -1.665 4.160 2.316 438 HG21 VAL 60 3HG2 VAL 60 -1.915 7.119 0.163 439 HG22 VAL 60 1HG2 VAL 60 -1.101 8.241 1.257 440 HG23 VAL 60 2HG2 VAL 60 -2.746 7.705 1.606 441 H SER 61 H SER 61 -3.025 5.252 4.592 442 HA SER 61 HA SER 61 -1.279 3.632 6.226 443 HB2 SER 61 2HB SER 61 -3.414 4.427 7.138 444 HB3 SER 61 1HB SER 61 -4.281 3.522 5.900 445 HG SER 61 HG SER 61 -2.522 1.956 7.246 446 H PHE 62 H PHE 62 -0.130 2.246 5.016 447 HA PHE 62 HA PHE 62 -1.109 0.805 2.800 448 HB2 PHE 62 2HB PHE 62 0.944 -0.702 3.376 449 HB3 PHE 62 1HB PHE 62 1.203 0.954 2.830 450 HD1 PHE 62 1HD PHE 62 1.298 -1.295 5.732 451 HD2 PHE 62 2HD PHE 62 2.083 2.633 4.297 452 HE1 PHE 62 1HE PHE 62 2.592 -0.815 7.767 453 HE2 PHE 62 2HE PHE 62 3.378 3.120 6.330 454 HZ PHE 62 HZ PHE 62 3.634 1.394 8.068 455 H GLY 63 H GLY 63 -2.281 -0.981 2.665 456 HA2 GLY 63 2HA GLY 63 -2.317 -2.873 4.891 457 HA3 GLY 63 1HA GLY 63 -3.848 -2.135 4.441 458 H ILE 64 H ILE 64 -3.427 -4.881 4.362 459 HA ILE 64 HA ILE 64 -4.127 -5.412 1.632 460 HB ILE 64 HB ILE 64 -1.504 -5.477 1.917 461 HG12 ILE 64 2HG1 ILE 64 -3.030 -7.636 0.454 462 HG13 ILE 64 1HG1 ILE 64 -2.747 -6.003 -0.137 463 HG21 ILE 64 1HG2 ILE 64 -2.270 -8.254 2.794 464 HG22 ILE 64 2HG2 ILE 64 -1.505 -7.032 3.803 465 HG23 ILE 64 3HG2 ILE 64 -0.645 -7.694 2.415 466 HD11 ILE 64 3HD1 ILE 64 -0.656 -8.101 0.393 467 HD12 ILE 64 1HD1 ILE 64 -0.330 -6.444 -0.118 468 HD13 ILE 64 2HD1 ILE 64 -1.215 -7.538 -1.181 469 H SER 65 H SER 65 -5.272 -7.339 1.417 470 HA SER 65 HA SER 65 -5.430 -9.114 3.718 471 HB2 SER 65 2HB SER 65 -7.085 -7.436 4.289 472 HB3 SER 65 1HB SER 65 -7.821 -7.572 2.691 473 HG SER 65 HG SER 65 -8.986 -8.789 4.199 474 H THR 66 H THR 66 -6.643 -11.054 3.325 475 HA THR 66 HA THR 66 -7.238 -11.664 0.527 476 HB THR 66 HB THR 66 -6.023 -13.806 0.658 477 HG1 THR 66 1HG THR 66 -4.779 -14.297 2.401 478 HG21 THR 66 3HG2 THR 66 -4.972 -11.762 -0.312 479 HG22 THR 66 1HG2 THR 66 -3.816 -12.938 0.316 480 HG23 THR 66 2HG2 THR 66 -4.191 -11.487 1.246 481 H ASP 67 H ASP 67 -8.210 -11.608 3.623 482 HA ASP 67 HA ASP 67 -9.440 -14.150 3.963 483 HB2 ASP 67 2HB ASP 67 -8.915 -12.614 5.841 484 HB3 ASP 67 1HB ASP 67 -10.154 -11.508 5.257 485 H SER 68 H SER 68 -11.568 -14.777 3.655 486 HA SER 68 HA SER 68 -12.877 -13.679 1.403 487 HB2 SER 68 2HB SER 68 -13.903 -15.646 3.465 488 HB3 SER 68 1HB SER 68 -14.668 -15.307 1.912 489 HG SER 68 HG SER 68 -12.999 -16.252 0.869 490 H GLU 69 H GLU 69 -13.824 -13.727 4.847 491 HA GLU 69 HA GLU 69 -16.178 -12.330 4.707 492 HB2 GLU 69 2HB GLU 69 -14.074 -12.125 6.856 493 HB3 GLU 69 1HB GLU 69 -15.736 -11.577 7.010 494 HG2 GLU 69 2HG GLU 69 -15.681 -13.658 8.070 495 HG3 GLU 69 1HG GLU 69 -16.422 -13.959 6.501 496 H VAL 70 H VAL 70 -12.903 -10.975 4.833 497 HA VAL 70 HA VAL 70 -13.792 -8.276 4.897 498 HB VAL 70 HB VAL 70 -11.119 -9.452 4.130 499 HG11 VAL 70 1HG1 VAL 70 -10.250 -7.137 4.424 500 HG12 VAL 70 2HG1 VAL 70 -11.919 -6.570 4.479 501 HG13 VAL 70 3HG1 VAL 70 -11.298 -7.339 3.019 502 HG21 VAL 70 3HG2 VAL 70 -10.410 -8.588 6.321 503 HG22 VAL 70 1HG2 VAL 70 -11.697 -9.788 6.463 504 HG23 VAL 70 2HG2 VAL 70 -12.065 -8.071 6.634 505 H LEU 71 H LEU 71 -12.317 -10.220 2.303 506 HA LEU 71 HA LEU 71 -12.626 -8.377 0.243 507 HB2 LEU 71 2HB LEU 71 -12.327 -11.336 0.379 508 HB3 LEU 71 1HB LEU 71 -12.810 -10.629 -1.151 509 HG LEU 71 HG LEU 71 -10.794 -9.371 -1.312 510 HD11 LEU 71 1HD1 LEU 71 -10.564 -8.651 0.980 511 HD12 LEU 71 2HD1 LEU 71 -9.070 -9.417 0.441 512 HD13 LEU 71 3HD1 LEU 71 -10.182 -10.297 1.489 513 HD21 LEU 71 3HD2 LEU 71 -10.255 -12.180 -0.365 514 HD22 LEU 71 1HD2 LEU 71 -9.070 -11.160 -1.185 515 HD23 LEU 71 2HD2 LEU 71 -10.547 -11.646 -2.022 516 H THR 72 H THR 72 -14.966 -10.118 1.958 517 HA THR 72 HA THR 72 -16.979 -9.984 -0.142 518 HB THR 72 HB THR 72 -17.166 -10.939 2.725 519 HG1 THR 72 1HG THR 72 -16.805 -12.898 1.909 520 HG21 THR 72 3HG2 THR 72 -19.335 -11.969 1.837 521 HG22 THR 72 1HG2 THR 72 -19.185 -10.834 0.492 522 HG23 THR 72 2HG2 THR 72 -19.341 -10.231 2.144 523 H HIS 73 H HIS 73 -16.226 -8.546 2.990 524 HA HIS 73 HA HIS 73 -18.524 -6.960 3.259 525 HB2 HIS 73 2HB HIS 73 -16.956 -7.389 5.109 526 HB3 HIS 73 1HB HIS 73 -15.723 -6.439 4.288 527 HD1 HIS 73 1HD HIS 73 -18.854 -6.114 6.293 528 HD2 HIS 73 2HD HIS 73 -16.067 -3.654 4.436 529 HE1 HIS 73 1HE HIS 73 -19.314 -3.800 7.163 530 HE2 HIS 73 2HE HIS 73 -17.620 -2.325 6.022 531 H TYR 74 H TYR 74 -15.552 -6.523 1.470 532 HA TYR 74 HA TYR 74 -16.380 -3.820 0.684 533 HB2 TYR 74 2HB TYR 74 -13.775 -5.312 0.482 534 HB3 TYR 74 1HB TYR 74 -14.061 -3.836 -0.435 535 HD1 TYR 74 2HD TYR 74 -13.862 -5.223 2.996 536 HD2 TYR 74 1HD TYR 74 -13.893 -1.715 0.590 537 HE1 TYR 74 2HE TYR 74 -13.199 -3.884 4.950 538 HE2 TYR 74 1HE TYR 74 -13.228 -0.366 2.535 539 HH TYR 74 HH TYR 74 -12.070 -1.720 5.402 540 H ASN 75 H ASN 75 -17.295 -6.648 -0.283 541 HA ASN 75 HA ASN 75 -18.051 -7.587 -2.211 542 HB2 ASN 75 2HB ASN 75 -17.965 -4.692 -3.051 543 HB3 ASN 75 1HB ASN 75 -18.678 -5.968 -4.033 544 HD21 ASN 75 1HD2 ASN 75 -20.592 -6.926 -3.383 545 HD22 ASN 75 2HD2 ASN 75 -21.602 -6.237 -2.163 546 H ILE 76 H ILE 76 -15.086 -7.147 -1.806 547 HA ILE 76 HA ILE 76 -13.791 -6.661 -4.234 548 HB ILE 76 HB ILE 76 -12.884 -8.609 -2.119 549 HG12 ILE 76 2HG1 ILE 76 -13.500 -6.462 -1.097 550 HG13 ILE 76 1HG1 ILE 76 -11.765 -6.721 -1.042 551 HG21 ILE 76 1HG2 ILE 76 -11.333 -6.965 -4.104 552 HG22 ILE 76 2HG2 ILE 76 -11.602 -8.703 -4.178 553 HG23 ILE 76 3HG2 ILE 76 -10.639 -8.016 -2.872 554 HD11 ILE 76 3HD1 ILE 76 -11.457 -5.202 -2.908 555 HD12 ILE 76 1HD1 ILE 76 -12.339 -4.414 -1.601 556 HD13 ILE 76 2HD1 ILE 76 -13.202 -4.978 -3.030 557 H THR 77 H THR 77 -13.919 -7.715 -6.104 558 HA THR 77 HA THR 77 -14.060 -10.637 -6.101 559 HB THR 77 HB THR 77 -15.787 -10.639 -7.870 560 HG1 THR 77 1HG THR 77 -15.907 -8.699 -8.787 561 HG21 THR 77 3HG2 THR 77 -17.702 -10.122 -6.426 562 HG22 THR 77 1HG2 THR 77 -16.628 -9.276 -5.313 563 HG23 THR 77 2HG2 THR 77 -16.454 -11.013 -5.559 564 H GLY 78 H GLY 78 -11.750 -9.530 -6.596 565 HA2 GLY 78 2HA GLY 78 -10.825 -10.418 -8.972 566 HA3 GLY 78 1HA GLY 78 -11.410 -8.812 -9.379 567 H ASN 79 H ASN 79 -9.821 -9.918 -6.406 568 HA ASN 79 HA ASN 79 -8.001 -9.115 -5.293 569 HB2 ASN 79 2HB ASN 79 -6.935 -8.832 -8.109 570 HB3 ASN 79 1HB ASN 79 -5.965 -8.863 -6.642 571 HD21 ASN 79 1HD2 ASN 79 -5.623 -10.794 -5.586 572 HD22 ASN 79 2HD2 ASN 79 -6.009 -12.325 -6.289 573 H THR 80 H THR 80 -9.989 -7.275 -5.655 574 HA THR 80 HA THR 80 -9.177 -4.817 -6.792 575 HB THR 80 HB THR 80 -11.262 -5.402 -4.675 576 HG1 THR 80 1HG THR 80 -12.635 -5.118 -6.629 577 HG21 THR 80 3HG2 THR 80 -10.671 -3.037 -4.653 578 HG22 THR 80 1HG2 THR 80 -12.278 -3.263 -5.346 579 HG23 THR 80 2HG2 THR 80 -10.897 -2.949 -6.398 580 H ILE 81 H ILE 81 -8.590 -2.880 -5.800 581 HA ILE 81 HA ILE 81 -7.394 -3.081 -3.108 582 HB ILE 81 HB ILE 81 -6.471 -1.449 -5.485 583 HG12 ILE 81 2HG1 ILE 81 -5.107 -3.634 -3.899 584 HG13 ILE 81 1HG1 ILE 81 -5.768 -3.803 -5.521 585 HG21 ILE 81 1HG2 ILE 81 -5.377 -1.437 -2.673 586 HG22 ILE 81 2HG2 ILE 81 -6.332 -0.146 -3.406 587 HG23 ILE 81 3HG2 ILE 81 -4.737 -0.539 -4.051 588 HD11 ILE 81 3HD1 ILE 81 -4.150 -2.110 -6.303 589 HD12 ILE 81 1HD1 ILE 81 -3.393 -3.563 -5.649 590 HD13 ILE 81 2HD1 ILE 81 -3.445 -2.089 -4.684 591 H CYS 82 H CYS 82 -8.537 -1.904 -1.675 592 HA CYS 82 HA CYS 82 -10.113 0.328 -2.739 593 HB2 CYS 82 2HB CYS 82 -10.480 -1.247 -0.201 594 HB3 CYS 82 1HB CYS 82 -11.481 0.111 -0.689 595 HG CYS 82 HG CYS 82 -13.195 -1.635 -1.554 596 H LEU 83 H LEU 83 -9.813 2.342 -2.139 597 HA LEU 83 HA LEU 83 -7.867 2.914 -0.016 598 HB2 LEU 83 2HB LEU 83 -7.012 3.903 -1.916 599 HB3 LEU 83 1HB LEU 83 -8.591 4.253 -2.581 600 HG LEU 83 HG LEU 83 -8.868 6.146 -1.118 601 HD11 LEU 83 1HD1 LEU 83 -6.142 5.686 0.044 602 HD12 LEU 83 2HD1 LEU 83 -7.601 5.062 0.811 603 HD13 LEU 83 3HD1 LEU 83 -7.403 6.800 0.581 604 HD21 LEU 83 3HD2 LEU 83 -7.694 6.611 -3.148 605 HD22 LEU 83 1HD2 LEU 83 -6.167 6.074 -2.446 606 HD23 LEU 83 2HD2 LEU 83 -6.944 7.539 -1.851 607 H PHE 84 H PHE 84 -9.014 3.191 1.834 608 HA PHE 84 HA PHE 84 -11.507 4.710 1.735 609 HB2 PHE 84 2HB PHE 84 -11.080 2.443 3.023 610 HB3 PHE 84 1HB PHE 84 -10.453 3.523 4.265 611 HD1 PHE 84 1HD PHE 84 -11.938 5.188 5.321 612 HD2 PHE 84 2HD PHE 84 -13.405 2.283 2.578 613 HE1 PHE 84 1HE PHE 84 -14.233 5.610 6.104 614 HE2 PHE 84 2HE PHE 84 -15.701 2.701 3.355 615 HZ PHE 84 HZ PHE 84 -16.118 4.366 5.122 616 H ARG 85 H ARG 85 -11.567 6.791 2.257 617 HA ARG 85 HA ARG 85 -9.255 7.929 3.686 618 HB2 ARG 85 2HB ARG 85 -11.155 9.775 2.384 619 HB3 ARG 85 1HB ARG 85 -9.397 9.788 2.407 620 HG2 ARG 85 2HG ARG 85 -9.352 8.031 0.715 621 HG3 ARG 85 1HG ARG 85 -11.122 8.028 0.682 622 HD2 ARG 85 2HD ARG 85 -9.261 10.246 -0.147 623 HD3 ARG 85 1HD ARG 85 -10.385 9.341 -1.161 624 HE ARG 85 HE ARG 85 -11.769 10.684 0.917 625 HH11 ARG 85 1HH1 ARG 85 -10.170 11.224 -2.132 626 HH12 ARG 85 2HH1 ARG 85 -11.092 12.640 -2.512 627 HH21 ARG 85 1HH2 ARG 85 -12.985 12.553 0.425 628 HH22 ARG 85 2HH2 ARG 85 -12.690 13.396 -1.059 629 H LEU 86 H LEU 86 -10.102 7.269 5.709 630 HA LEU 86 HA LEU 86 -12.321 7.410 7.044 631 HB2 LEU 86 2HB LEU 86 -10.559 7.032 8.432 632 HB3 LEU 86 1HB LEU 86 -9.615 8.355 7.780 633 HG LEU 86 HG LEU 86 -11.111 9.937 9.033 634 HD11 LEU 86 1HD1 LEU 86 -12.447 9.041 10.865 635 HD12 LEU 86 2HD1 LEU 86 -12.072 7.396 10.346 636 HD13 LEU 86 3HD1 LEU 86 -13.030 8.452 9.309 637 HD21 LEU 86 3HD2 LEU 86 -10.063 9.488 11.212 638 HD22 LEU 86 1HD2 LEU 86 -8.919 9.372 9.873 639 HD23 LEU 86 2HD2 LEU 86 -9.554 7.906 10.622 640 H VAL 87 H VAL 87 -10.509 10.466 6.690 641 HA VAL 87 HA VAL 87 -12.141 12.246 7.858 642 HB VAL 87 HB VAL 87 -11.578 13.721 5.674 643 HG11 VAL 87 1HG1 VAL 87 -10.852 14.199 7.938 644 HG12 VAL 87 2HG1 VAL 87 -9.490 14.333 6.826 645 HG13 VAL 87 3HG1 VAL 87 -9.654 12.909 7.852 646 HG21 VAL 87 3HG2 VAL 87 -10.704 11.872 4.392 647 HG22 VAL 87 1HG2 VAL 87 -9.590 11.453 5.697 648 HG23 VAL 87 2HG2 VAL 87 -9.388 12.968 4.813 649 H ASP 88 H ASP 88 -12.512 11.468 4.391 650 HA ASP 88 HA ASP 88 -15.232 12.521 4.530 651 HB2 ASP 88 2HB ASP 88 -13.390 11.911 2.225 652 HB3 ASP 88 1HB ASP 88 -15.096 12.293 1.992 653 H ASN 89 H ASN 89 -13.862 9.689 5.107 654 HA ASN 89 HA ASN 89 -14.476 7.506 5.069 655 HB2 ASN 89 2HB ASN 89 -17.237 8.696 4.785 656 HB3 ASN 89 1HB ASN 89 -16.870 7.053 5.299 657 HD21 ASN 89 1HD2 ASN 89 -16.004 6.697 7.338 658 HD22 ASN 89 2HD2 ASN 89 -16.046 7.900 8.576 659 H GLU 90 H GLU 90 -13.871 8.786 2.474 660 HA GLU 90 HA GLU 90 -15.637 7.655 0.525 661 HB2 GLU 90 2HB GLU 90 -12.800 8.635 0.173 662 HB3 GLU 90 1HB GLU 90 -13.960 8.333 -1.113 663 HG2 GLU 90 2HG GLU 90 -14.283 10.384 1.055 664 HG3 GLU 90 1HG GLU 90 -13.700 10.714 -0.573 665 H GLN 91 H GLN 91 -14.996 6.024 -1.055 666 HA GLN 91 HA GLN 91 -12.930 4.161 -0.182 667 HB2 GLN 91 2HB GLN 91 -15.131 3.501 0.872 668 HB3 GLN 91 1HB GLN 91 -15.737 3.206 -0.752 669 HG2 GLN 91 2HG GLN 91 -13.224 1.878 0.141 670 HG3 GLN 91 1HG GLN 91 -14.782 1.252 0.679 671 HE21 GLN 91 1HE2 GLN 91 -12.626 1.678 -1.989 672 HE22 GLN 91 2HE2 GLN 91 -13.485 0.689 -3.115 673 H LEU 92 H LEU 92 -11.730 4.483 -1.986 674 HA LEU 92 HA LEU 92 -12.918 4.363 -4.623 675 HB2 LEU 92 2HB LEU 92 -10.021 4.560 -3.800 676 HB3 LEU 92 1HB LEU 92 -10.631 4.735 -5.431 677 HG LEU 92 HG LEU 92 -10.153 6.917 -4.628 678 HD11 LEU 92 1HD1 LEU 92 -12.192 6.799 -5.910 679 HD12 LEU 92 2HD1 LEU 92 -12.357 8.008 -4.636 680 HD13 LEU 92 3HD1 LEU 92 -13.118 6.428 -4.458 681 HD21 LEU 92 3HD2 LEU 92 -10.215 6.221 -2.197 682 HD22 LEU 92 1HD2 LEU 92 -11.954 6.497 -2.263 683 HD23 LEU 92 2HD2 LEU 92 -10.838 7.827 -2.571 684 H ASN 93 H ASN 93 -13.407 2.414 -5.447 685 HA ASN 93 HA ASN 93 -11.857 0.110 -4.576 686 HB2 ASN 93 2HB ASN 93 -13.670 -1.127 -5.962 687 HB3 ASN 93 1HB ASN 93 -14.121 -0.401 -4.426 688 HD21 ASN 93 1HD2 ASN 93 -14.394 -0.226 -7.873 689 HD22 ASN 93 2HD2 ASN 93 -15.675 0.933 -7.922 690 H LEU 94 H LEU 94 -10.016 -0.032 -5.670 691 HA LEU 94 HA LEU 94 -9.920 0.289 -8.554 692 HB2 LEU 94 2HB LEU 94 -8.106 0.960 -6.792 693 HB3 LEU 94 1HB LEU 94 -7.679 -0.741 -6.828 694 HG LEU 94 HG LEU 94 -7.819 0.654 -9.440 695 HD11 LEU 94 1HD1 LEU 94 -5.523 1.511 -9.142 696 HD12 LEU 94 2HD1 LEU 94 -5.617 1.103 -7.428 697 HD13 LEU 94 3HD1 LEU 94 -6.693 2.328 -8.104 698 HD21 LEU 94 3HD2 LEU 94 -7.269 -1.741 -9.187 699 HD22 LEU 94 1HD2 LEU 94 -5.855 -1.291 -8.235 700 HD23 LEU 94 2HD2 LEU 94 -5.970 -0.812 -9.929 701 H GLU 95 H GLU 95 -11.472 -1.429 -8.894 702 HA GLU 95 HA GLU 95 -10.874 -4.114 -8.103 703 HB2 GLU 95 2HB GLU 95 -12.918 -3.181 -10.106 704 HB3 GLU 95 1HB GLU 95 -12.896 -4.713 -9.244 705 HG2 GLU 95 2HG GLU 95 -13.324 -3.620 -7.161 706 HG3 GLU 95 1HG GLU 95 -13.164 -2.032 -7.911 707 H ASP 96 H ASP 96 -11.650 -5.605 -10.224 708 HA ASP 96 HA ASP 96 -9.351 -6.321 -11.495 709 HB2 ASP 96 2HB ASP 96 -11.039 -7.160 -13.344 710 HB3 ASP 96 1HB ASP 96 -11.004 -7.891 -11.743 711 H GLU 97 H GLU 97 -11.864 -4.220 -12.887 712 HA GLU 97 HA GLU 97 -10.804 -3.723 -15.359 713 HB2 GLU 97 2HB GLU 97 -11.925 -1.514 -15.264 714 HB3 GLU 97 1HB GLU 97 -12.951 -2.825 -14.698 715 HG2 GLU 97 2HG GLU 97 -12.565 -2.204 -12.407 716 HG3 GLU 97 1HG GLU 97 -11.401 -0.975 -12.902 717 H ASP 98 H ASP 98 -9.424 -2.905 -12.370 718 HA ASP 98 HA ASP 98 -7.415 -1.228 -13.706 719 HB2 ASP 98 2HB ASP 98 -8.451 -0.917 -10.875 720 HB3 ASP 98 1HB ASP 98 -7.173 0.046 -11.614 721 H ILE 99 H ILE 99 -8.043 -4.017 -11.879 722 HA ILE 99 HA ILE 99 -5.379 -4.175 -10.709 723 HB ILE 99 HB ILE 99 -7.784 -5.985 -10.517 724 HG12 ILE 99 2HG1 ILE 99 -7.749 -3.795 -9.297 725 HG13 ILE 99 1HG1 ILE 99 -7.953 -5.212 -8.276 726 HG21 ILE 99 1HG2 ILE 99 -6.442 -7.159 -8.729 727 HG22 ILE 99 2HG2 ILE 99 -5.016 -6.364 -9.401 728 HG23 ILE 99 3HG2 ILE 99 -5.955 -7.478 -10.395 729 HD11 ILE 99 3HD1 ILE 99 -6.456 -3.633 -7.246 730 HD12 ILE 99 1HD1 ILE 99 -5.420 -3.637 -8.675 731 HD13 ILE 99 2HD1 ILE 99 -5.574 -5.095 -7.690 732 H GLU 100 H GLU 100 -7.227 -5.595 -13.325 733 HA GLU 100 HA GLU 100 -5.803 -7.861 -13.925 734 HB2 GLU 100 2HB GLU 100 -7.830 -7.126 -15.128 735 HB3 GLU 100 1HB GLU 100 -6.893 -5.865 -15.918 736 HG2 GLU 100 2HG GLU 100 -5.532 -7.535 -17.028 737 HG3 GLU 100 1HG GLU 100 -6.398 -8.823 -16.191 738 H SER 101 H SER 101 -5.166 -4.648 -15.338 739 HA SER 101 HA SER 101 -2.393 -5.512 -15.820 740 HB2 SER 101 2HB SER 101 -2.319 -3.769 -17.568 741 HB3 SER 101 1HB SER 101 -3.605 -4.939 -17.873 742 HG SER 101 HG SER 101 -4.909 -3.270 -16.606 743 H ILE 102 H ILE 102 -3.275 -4.590 -13.281 744 HA ILE 102 HA ILE 102 -2.869 -1.893 -12.763 745 HB ILE 102 HB ILE 102 -3.772 -3.475 -11.107 746 HG12 ILE 102 2HG1 ILE 102 -2.433 -2.591 -9.140 747 HG13 ILE 102 1HG1 ILE 102 -1.335 -1.873 -10.312 748 HG21 ILE 102 1HG2 ILE 102 -2.420 -5.027 -9.941 749 HG22 ILE 102 2HG2 ILE 102 -0.936 -4.361 -10.617 750 HG23 ILE 102 3HG2 ILE 102 -2.046 -5.261 -11.650 751 HD11 ILE 102 3HD1 ILE 102 -3.076 -0.344 -9.367 752 HD12 ILE 102 1HD1 ILE 102 -4.273 -1.284 -10.257 753 HD13 ILE 102 2HD1 ILE 102 -3.005 -0.421 -11.128 754 H ASP 103 H ASP 103 -1.113 -0.669 -12.194 755 HA ASP 103 HA ASP 103 1.539 -1.898 -12.320 756 HB2 ASP 103 2HB ASP 103 0.821 0.628 -13.818 757 HB3 ASP 103 1HB ASP 103 2.397 -0.155 -13.771 758 H ALA 104 H ALA 104 3.141 -0.771 -11.122 759 HA ALA 104 HA ALA 104 2.358 0.351 -8.747 760 HB1 ALA 104 1HB ALA 104 4.595 -0.456 -9.083 761 HB2 ALA 104 2HB ALA 104 4.647 1.220 -8.531 762 HB3 ALA 104 3HB ALA 104 4.928 0.842 -10.232 763 H THR 105 H THR 105 2.956 1.946 -11.813 764 HA THR 105 HA THR 105 2.836 4.614 -10.943 765 HB THR 105 HB THR 105 1.987 3.444 -13.601 766 HG1 THR 105 1HG THR 105 4.273 4.843 -13.658 767 HG21 THR 105 3HG2 THR 105 0.994 5.604 -13.357 768 HG22 THR 105 1HG2 THR 105 2.386 5.763 -14.429 769 HG23 THR 105 2HG2 THR 105 2.503 6.285 -12.745 770 H LYS 106 H LYS 106 0.317 2.448 -12.190 771 HA LYS 106 HA LYS 106 -1.837 4.214 -12.047 772 HB2 LYS 106 2HB LYS 106 -1.865 1.211 -11.654 773 HB3 LYS 106 1HB LYS 106 -3.256 2.210 -12.055 774 HG2 LYS 106 2HG LYS 106 -2.336 2.744 -14.198 775 HG3 LYS 106 1HG LYS 106 -0.816 1.944 -13.796 776 HD2 LYS 106 2HD LYS 106 -2.091 0.464 -15.193 777 HD3 LYS 106 1HD LYS 106 -2.089 -0.193 -13.558 778 HE2 LYS 106 2HE LYS 106 -4.313 0.758 -13.176 779 HE3 LYS 106 1HE LYS 106 -4.313 1.413 -14.813 780 HZ1 LYS 106 3HZ LYS 106 -5.550 -0.672 -14.646 781 HZ2 LYS 106 1HZ LYS 106 -4.152 -1.474 -14.129 782 HZ3 LYS 106 2HZ LYS 106 -4.227 -0.823 -15.688 783 H LEU 107 H LEU 107 -1.057 1.620 -9.692 784 HA LEU 107 HA LEU 107 -2.902 2.245 -7.763 785 HB2 LEU 107 2HB LEU 107 -0.711 0.561 -7.914 786 HB3 LEU 107 1HB LEU 107 -0.297 1.632 -6.592 787 HG LEU 107 HG LEU 107 -2.518 -0.362 -6.779 788 HD11 LEU 107 1HD1 LEU 107 -0.362 0.315 -4.798 789 HD12 LEU 107 2HD1 LEU 107 -0.580 -1.174 -5.718 790 HD13 LEU 107 3HD1 LEU 107 -1.699 -0.772 -4.416 791 HD21 LEU 107 3HD2 LEU 107 -3.702 1.648 -6.171 792 HD22 LEU 107 1HD2 LEU 107 -2.488 2.038 -4.952 793 HD23 LEU 107 2HD2 LEU 107 -3.527 0.628 -4.743 794 H SER 108 H SER 108 0.455 3.450 -7.866 795 HA SER 108 HA SER 108 0.254 5.238 -5.731 796 HB2 SER 108 2HB SER 108 2.003 5.410 -8.194 797 HB3 SER 108 1HB SER 108 2.245 6.333 -6.709 798 HG SER 108 HG SER 108 2.853 4.537 -5.669 799 H ARG 109 H ARG 109 -0.732 5.533 -9.054 800 HA ARG 109 HA ARG 109 -1.055 8.352 -9.082 801 HB2 ARG 109 2HB ARG 109 -0.805 6.899 -11.113 802 HB3 ARG 109 1HB ARG 109 -2.416 6.278 -10.813 803 HG2 ARG 109 2HG ARG 109 -1.927 9.208 -11.187 804 HG3 ARG 109 1HG ARG 109 -2.133 8.119 -12.561 805 HD2 ARG 109 2HD ARG 109 -4.249 7.351 -11.200 806 HD3 ARG 109 1HD ARG 109 -4.093 8.955 -10.477 807 HE ARG 109 HE ARG 109 -5.190 8.383 -12.986 808 HH11 ARG 109 1HH1 ARG 109 -2.907 10.621 -11.579 809 HH12 ARG 109 2HH1 ARG 109 -3.240 11.872 -12.730 810 HH21 ARG 109 1HH2 ARG 109 -5.618 10.026 -14.497 811 HH22 ARG 109 2HH2 ARG 109 -4.776 11.536 -14.383 812 H PHE 110 H PHE 110 -3.527 5.789 -9.191 813 HA PHE 110 HA PHE 110 -5.769 7.237 -8.666 814 HB2 PHE 110 2HB PHE 110 -4.982 4.458 -7.818 815 HB3 PHE 110 1HB PHE 110 -6.540 5.131 -7.347 816 HD1 PHE 110 2HD PHE 110 -4.498 3.937 -10.138 817 HD2 PHE 110 1HD PHE 110 -8.279 5.507 -8.975 818 HE1 PHE 110 2HE PHE 110 -5.437 3.272 -12.312 819 HE2 PHE 110 1HE PHE 110 -9.224 4.844 -11.149 820 HZ PHE 110 HZ PHE 110 -7.803 3.726 -12.820 821 H ILE 111 H ILE 111 -3.436 6.008 -6.301 822 HA ILE 111 HA ILE 111 -4.768 6.940 -3.996 823 HB ILE 111 HB ILE 111 -1.817 6.472 -4.470 824 HG12 ILE 111 2HG1 ILE 111 -3.816 4.768 -2.978 825 HG13 ILE 111 1HG1 ILE 111 -3.411 4.524 -4.670 826 HG21 ILE 111 1HG2 ILE 111 -1.602 6.442 -2.034 827 HG22 ILE 111 2HG2 ILE 111 -3.299 6.891 -1.879 828 HG23 ILE 111 3HG2 ILE 111 -2.154 8.015 -2.615 829 HD11 ILE 111 3HD1 ILE 111 -1.488 4.364 -2.365 830 HD12 ILE 111 1HD1 ILE 111 -1.094 4.099 -4.063 831 HD13 ILE 111 2HD1 ILE 111 -2.190 2.997 -3.229 832 H GLU 112 H GLU 112 -2.005 8.318 -5.773 833 HA GLU 112 HA GLU 112 -1.782 10.714 -4.418 834 HB2 GLU 112 2HB GLU 112 -0.214 9.860 -6.173 835 HB3 GLU 112 1HB GLU 112 -1.395 10.329 -7.391 836 HG2 GLU 112 2HG GLU 112 -1.200 12.662 -6.661 837 HG3 GLU 112 1HG GLU 112 0.012 12.179 -5.476 838 H ILE 113 H ILE 113 -4.238 9.607 -6.483 839 HA ILE 113 HA ILE 113 -5.235 12.235 -7.168 840 HB ILE 113 HB ILE 113 -5.691 9.487 -8.074 841 HG12 ILE 113 2HG1 ILE 113 -5.932 10.580 -10.224 842 HG13 ILE 113 1HG1 ILE 113 -6.068 12.153 -9.445 843 HG21 ILE 113 1HG2 ILE 113 -8.018 11.384 -7.923 844 HG22 ILE 113 2HG2 ILE 113 -7.892 9.766 -7.227 845 HG23 ILE 113 3HG2 ILE 113 -7.951 9.971 -8.977 846 HD11 ILE 113 3HD1 ILE 113 -3.639 10.379 -9.450 847 HD12 ILE 113 1HD1 ILE 113 -3.767 11.939 -8.637 848 HD13 ILE 113 2HD1 ILE 113 -3.866 11.849 -10.394 849 H ASN 114 H ASN 114 -6.119 9.539 -5.040 850 HA ASN 114 HA ASN 114 -8.202 11.285 -3.900 851 HB2 ASN 114 2HB ASN 114 -8.256 8.282 -4.209 852 HB3 ASN 114 1HB ASN 114 -9.435 9.208 -3.280 853 HD21 ASN 114 1HD2 ASN 114 -9.481 11.451 -5.079 854 HD22 ASN 114 2HD2 ASN 114 -10.331 10.941 -6.494 855 H SER 115 H SER 115 -5.380 10.992 -3.089 856 HA SER 115 HA SER 115 -5.457 9.574 -0.579 857 HB2 SER 115 2HB SER 115 -3.169 10.362 -0.287 858 HB3 SER 115 1HB SER 115 -3.377 9.757 -1.932 859 HG SER 115 HG SER 115 -2.668 11.639 -2.515 860 H LEU 116 H LEU 116 -7.509 11.380 -0.671 861 HA LEU 116 HA LEU 116 -6.690 13.713 0.881 862 HB2 LEU 116 2HB LEU 116 -9.427 13.012 -0.161 863 HB3 LEU 116 1HB LEU 116 -8.899 14.565 0.463 864 HG LEU 116 HG LEU 116 -7.927 13.268 -2.085 865 HD11 LEU 116 1HD1 LEU 116 -9.128 15.092 -3.194 866 HD12 LEU 116 2HD1 LEU 116 -9.745 15.629 -1.630 867 HD13 LEU 116 3HD1 LEU 116 -10.216 14.055 -2.271 868 HD21 LEU 116 3HD2 LEU 116 -6.795 15.398 -2.488 869 HD22 LEU 116 1HD2 LEU 116 -6.190 14.616 -1.027 870 HD23 LEU 116 2HD2 LEU 116 -7.308 15.974 -0.904 Start of MODEL 26 1 H GLU 1 H GLU 1 20.881 -5.165 -7.872 2 HA GLU 1 HA GLU 1 23.288 -5.783 -9.234 3 HB2 GLU 1 2HB GLU 1 23.703 -4.845 -6.389 4 HB3 GLU 1 1HB GLU 1 24.903 -5.702 -7.346 5 HG2 GLU 1 2HG GLU 1 23.716 -3.024 -8.036 6 HG3 GLU 1 1HG GLU 1 25.291 -3.283 -7.286 7 H VAL 2 H VAL 2 22.445 -7.789 -9.497 8 HA VAL 2 HA VAL 2 21.535 -9.311 -7.191 9 HB VAL 2 HB VAL 2 20.914 -11.042 -8.819 10 HG11 VAL 2 1HG1 VAL 2 19.174 -9.768 -9.997 11 HG12 VAL 2 2HG1 VAL 2 19.999 -8.268 -9.574 12 HG13 VAL 2 3HG1 VAL 2 19.315 -9.287 -8.307 13 HG21 VAL 2 3HG2 VAL 2 22.717 -10.701 -10.430 14 HG22 VAL 2 1HG2 VAL 2 22.035 -9.137 -10.875 15 HG23 VAL 2 2HG2 VAL 2 21.143 -10.620 -11.223 16 H GLU 3 H GLU 3 24.477 -8.641 -8.361 17 HA GLU 3 HA GLU 3 25.722 -11.144 -8.677 18 HB2 GLU 3 2HB GLU 3 26.824 -8.467 -7.821 19 HB3 GLU 3 1HB GLU 3 27.832 -9.876 -8.118 20 HG2 GLU 3 2HG GLU 3 27.879 -8.518 -10.065 21 HG3 GLU 3 1HG GLU 3 26.928 -9.954 -10.435 22 H LYS 4 H LYS 4 26.586 -12.572 -7.285 23 HA LYS 4 HA LYS 4 26.958 -13.703 -5.354 24 HB2 LYS 4 2HB LYS 4 27.433 -10.913 -4.298 25 HB3 LYS 4 1HB LYS 4 27.827 -12.389 -3.426 26 HG2 LYS 4 2HG LYS 4 29.413 -13.017 -5.142 27 HG3 LYS 4 1HG LYS 4 28.977 -11.597 -6.093 28 HD2 LYS 4 2HD LYS 4 29.785 -10.145 -4.299 29 HD3 LYS 4 1HD LYS 4 30.212 -11.564 -3.340 30 HE2 LYS 4 2HE LYS 4 32.153 -10.577 -4.499 31 HE3 LYS 4 1HE LYS 4 31.838 -12.240 -4.991 32 HZ1 LYS 4 3HZ LYS 4 30.961 -9.845 -6.510 33 HZ2 LYS 4 1HZ LYS 4 30.814 -11.460 -6.997 34 HZ3 LYS 4 2HZ LYS 4 32.344 -10.751 -6.865 35 H SER 5 H SER 5 26.383 -13.295 -2.721 36 HA SER 5 HA SER 5 23.618 -13.842 -2.622 37 HB2 SER 5 2HB SER 5 25.522 -13.151 -0.374 38 HB3 SER 5 1HB SER 5 23.913 -13.841 -0.167 39 HG SER 5 HG SER 5 24.594 -15.722 -1.029 40 H SER 6 H SER 6 25.433 -10.909 -2.341 41 HA SER 6 HA SER 6 24.822 -8.729 -2.203 42 HB2 SER 6 2HB SER 6 23.089 -9.228 -3.845 43 HB3 SER 6 1HB SER 6 22.016 -9.807 -2.572 44 HG SER 6 HG SER 6 22.757 -7.197 -3.233 45 H ASP 7 H ASP 7 21.976 -10.173 -0.632 46 HA ASP 7 HA ASP 7 21.150 -10.030 1.476 47 HB2 ASP 7 2HB ASP 7 23.195 -11.091 2.210 48 HB3 ASP 7 1HB ASP 7 24.057 -9.556 2.164 49 H GLY 8 H GLY 8 19.817 -8.354 1.652 50 HA2 GLY 8 2HA GLY 8 20.729 -5.927 2.871 51 HA3 GLY 8 1HA GLY 8 20.287 -5.694 1.187 52 HA PRO 9 HA PRO 9 16.553 -5.230 4.111 53 HB2 PRO 9 2HB PRO 9 16.269 -2.792 2.435 54 HB3 PRO 9 1HB PRO 9 16.052 -2.992 4.177 55 HG2 PRO 9 2HG PRO 9 18.205 -1.764 3.202 56 HG3 PRO 9 1HG PRO 9 18.324 -2.834 4.612 57 HD2 PRO 9 2HD PRO 9 19.090 -3.350 1.768 58 HD3 PRO 9 1HD PRO 9 19.904 -3.853 3.264 59 H GLY 10 H GLY 10 15.503 -6.940 3.108 60 HA2 GLY 10 2HA GLY 10 14.392 -6.442 0.429 61 HA3 GLY 10 1HA GLY 10 14.566 -8.021 1.181 62 H ALA 11 H ALA 11 12.995 -4.921 2.009 63 HA ALA 11 HA ALA 11 10.381 -6.036 1.949 64 HB1 ALA 11 1HB ALA 11 11.160 -7.099 4.014 65 HB2 ALA 11 2HB ALA 11 9.864 -5.945 4.328 66 HB3 ALA 11 3HB ALA 11 11.535 -5.513 4.687 67 H ALA 12 H ALA 12 11.956 -3.646 4.067 68 HA ALA 12 HA ALA 12 11.602 -1.420 4.376 69 HB1 ALA 12 1HB ALA 12 11.545 -0.051 2.413 70 HB2 ALA 12 2HB ALA 12 10.949 -1.394 1.437 71 HB3 ALA 12 3HB ALA 12 12.587 -1.437 2.087 72 H GLN 13 H GLN 13 9.762 -1.882 5.684 73 HA GLN 13 HA GLN 13 7.600 -1.837 6.350 74 HB2 GLN 13 2HB GLN 13 6.420 0.212 5.885 75 HB3 GLN 13 1HB GLN 13 8.120 0.548 6.159 76 HG2 GLN 13 2HG GLN 13 8.480 0.824 3.780 77 HG3 GLN 13 1HG GLN 13 6.799 0.396 3.456 78 HE21 GLN 13 1HE2 GLN 13 5.788 1.845 5.762 79 HE22 GLN 13 2HE2 GLN 13 5.878 3.522 5.360 80 H GLU 14 H GLU 14 6.103 -3.248 5.932 81 HA GLU 14 HA GLU 14 5.116 -3.514 3.170 82 HB2 GLU 14 2HB GLU 14 4.639 -5.816 3.625 83 HB3 GLU 14 1HB GLU 14 6.283 -5.501 4.160 84 HG2 GLU 14 2HG GLU 14 5.441 -5.273 6.474 85 HG3 GLU 14 1HG GLU 14 3.835 -5.717 5.893 86 HA PRO 15 HA PRO 15 1.059 -2.321 4.407 87 HB2 PRO 15 2HB PRO 15 -0.526 -4.050 3.003 88 HB3 PRO 15 1HB PRO 15 0.298 -2.663 2.282 89 HG2 PRO 15 2HG PRO 15 1.058 -5.549 2.257 90 HG3 PRO 15 1HG PRO 15 1.188 -4.338 0.968 91 HD2 PRO 15 2HD PRO 15 3.303 -5.136 2.473 92 HD3 PRO 15 1HD PRO 15 3.172 -3.513 1.768 93 H THR 16 H THR 16 -0.391 -2.713 5.990 94 HA THR 16 HA THR 16 0.035 -4.728 7.860 95 HB THR 16 HB THR 16 -2.582 -3.273 7.454 96 HG1 THR 16 1HG THR 16 -1.626 -1.527 8.199 97 HG21 THR 16 3HG2 THR 16 -2.648 -5.104 9.080 98 HG22 THR 16 1HG2 THR 16 -2.797 -3.539 9.878 99 HG23 THR 16 2HG2 THR 16 -1.264 -4.409 9.924 100 H TRP 17 H TRP 17 -1.204 -6.552 8.470 101 HA TRP 17 HA TRP 17 -2.470 -7.894 6.194 102 HB2 TRP 17 2HB TRP 17 -1.331 -8.959 8.781 103 HB3 TRP 17 1HB TRP 17 -2.186 -9.958 7.610 104 HD1 TRP 17 HD TRP 17 1.068 -7.933 7.985 105 HE1 TRP 17 1HE TRP 17 2.772 -8.823 6.274 106 HE3 TRP 17 3HE TRP 17 -1.949 -11.192 5.453 107 HZ2 TRP 17 2HZ TRP 17 2.830 -10.664 4.133 108 HZ3 TRP 17 3HZ TRP 17 -0.993 -12.480 3.588 109 HH2 TRP 17 HH TRP 17 1.348 -12.220 2.943 110 H LEU 18 H LEU 18 -4.484 -6.842 6.336 111 HA LEU 18 HA LEU 18 -6.071 -7.026 8.749 112 HB2 LEU 18 2HB LEU 18 -6.907 -6.186 5.972 113 HB3 LEU 18 1HB LEU 18 -7.774 -5.882 7.467 114 HG LEU 18 HG LEU 18 -5.058 -4.751 6.808 115 HD11 LEU 18 1HD1 LEU 18 -6.262 -2.616 6.551 116 HD12 LEU 18 2HD1 LEU 18 -7.786 -3.493 6.673 117 HD13 LEU 18 3HD1 LEU 18 -6.695 -3.806 5.325 118 HD21 LEU 18 3HD2 LEU 18 -5.562 -3.258 8.736 119 HD22 LEU 18 1HD2 LEU 18 -5.343 -4.953 9.176 120 HD23 LEU 18 2HD2 LEU 18 -6.966 -4.266 9.088 121 H THR 19 H THR 19 -5.870 -9.403 8.839 122 HA THR 19 HA THR 19 -7.134 -11.027 6.859 123 HB THR 19 HB THR 19 -6.809 -12.878 8.403 124 HG1 THR 19 1HG THR 19 -5.979 -12.458 10.497 125 HG21 THR 19 3HG2 THR 19 -4.379 -12.735 8.680 126 HG22 THR 19 1HG2 THR 19 -4.447 -10.998 8.394 127 HG23 THR 19 2HG2 THR 19 -4.878 -12.121 7.104 128 H ASP 20 H ASP 20 -8.477 -8.951 9.049 129 HA ASP 20 HA ASP 20 -10.996 -10.438 8.976 130 HB2 ASP 20 2HB ASP 20 -9.758 -9.253 11.462 131 HB3 ASP 20 1HB ASP 20 -11.449 -9.731 11.349 132 H VAL 21 H VAL 21 -12.854 -9.205 8.969 133 HA VAL 21 HA VAL 21 -12.753 -6.738 7.695 134 HB VAL 21 HB VAL 21 -15.047 -7.740 9.385 135 HG11 VAL 21 1HG1 VAL 21 -15.257 -5.409 8.701 136 HG12 VAL 21 2HG1 VAL 21 -16.428 -6.423 7.859 137 HG13 VAL 21 3HG1 VAL 21 -14.979 -5.868 7.021 138 HG21 VAL 21 3HG2 VAL 21 -14.401 -8.314 6.496 139 HG22 VAL 21 1HG2 VAL 21 -15.885 -8.776 7.328 140 HG23 VAL 21 2HG2 VAL 21 -14.342 -9.469 7.827 141 HA PRO 22 HA PRO 22 -13.756 -4.694 12.039 142 HB2 PRO 22 2HB PRO 22 -12.570 -6.049 14.133 143 HB3 PRO 22 1HB PRO 22 -14.285 -6.142 13.719 144 HG2 PRO 22 2HG PRO 22 -12.064 -8.019 13.029 145 HG3 PRO 22 1HG PRO 22 -13.725 -8.384 13.531 146 HD2 PRO 22 2HD PRO 22 -12.980 -8.550 10.968 147 HD3 PRO 22 1HD PRO 22 -14.590 -7.948 11.418 148 H ALA 23 H ALA 23 -10.786 -6.663 11.867 149 HA ALA 23 HA ALA 23 -9.083 -4.692 12.937 150 HB1 ALA 23 1HB ALA 23 -7.261 -6.050 12.208 151 HB2 ALA 23 2HB ALA 23 -8.267 -6.856 11.004 152 HB3 ALA 23 3HB ALA 23 -8.549 -7.141 12.724 153 H ALA 24 H ALA 24 -10.241 -5.375 9.739 154 HA ALA 24 HA ALA 24 -8.467 -3.721 8.291 155 HB1 ALA 24 1HB ALA 24 -9.762 -5.374 7.123 156 HB2 ALA 24 2HB ALA 24 -10.238 -3.782 6.524 157 HB3 ALA 24 3HB ALA 24 -11.274 -4.644 7.664 158 H MET 25 H MET 25 -11.852 -3.168 9.248 159 HA MET 25 HA MET 25 -11.965 -0.461 8.555 160 HB2 MET 25 2HB MET 25 -13.559 -1.835 10.722 161 HB3 MET 25 1HB MET 25 -14.003 -0.374 9.852 162 HG2 MET 25 2HG MET 25 -14.055 -1.723 7.757 163 HG3 MET 25 1HG MET 25 -13.803 -3.161 8.744 164 HE1 MET 25 3HE MET 25 -17.536 -0.461 9.020 165 HE2 MET 25 1HE MET 25 -16.183 -0.171 7.926 166 HE3 MET 25 2HE MET 25 -15.968 0.021 9.666 167 H GLU 26 H GLU 26 -10.660 -2.047 11.367 168 HA GLU 26 HA GLU 26 -10.686 0.258 13.055 169 HB2 GLU 26 2HB GLU 26 -9.352 -2.420 13.172 170 HB3 GLU 26 1HB GLU 26 -8.833 -1.142 14.266 171 HG2 GLU 26 2HG GLU 26 -11.271 -0.911 14.915 172 HG3 GLU 26 1HG GLU 26 -11.529 -2.432 14.061 173 H PHE 27 H PHE 27 -8.130 -1.361 11.177 174 HA PHE 27 HA PHE 27 -6.118 0.496 11.739 175 HB2 PHE 27 2HB PHE 27 -6.545 -1.600 9.688 176 HB3 PHE 27 1HB PHE 27 -5.364 -0.353 9.295 177 HD1 PHE 27 2HD PHE 27 -6.209 -3.055 11.646 178 HD2 PHE 27 1HD PHE 27 -3.269 -0.234 10.418 179 HE1 PHE 27 2HE PHE 27 -4.532 -4.209 13.026 180 HE2 PHE 27 1HE PHE 27 -1.586 -1.383 11.797 181 HZ PHE 27 HZ PHE 27 -2.217 -3.374 13.104 182 H ILE 28 H ILE 28 -8.725 0.506 9.408 183 HA ILE 28 HA ILE 28 -7.775 2.787 7.950 184 HB ILE 28 HB ILE 28 -10.435 1.382 8.073 185 HG12 ILE 28 2HG1 ILE 28 -8.642 1.852 5.693 186 HG13 ILE 28 1HG1 ILE 28 -8.432 0.470 6.772 187 HG21 ILE 28 1HG2 ILE 28 -11.193 2.892 6.257 188 HG22 ILE 28 2HG2 ILE 28 -9.775 3.895 6.553 189 HG23 ILE 28 3HG2 ILE 28 -10.994 3.700 7.809 190 HD11 ILE 28 3HD1 ILE 28 -11.057 1.043 5.446 191 HD12 ILE 28 1HD1 ILE 28 -10.474 -0.469 6.143 192 HD13 ILE 28 2HD1 ILE 28 -9.781 0.133 4.636 193 H ALA 29 H ALA 29 -10.032 2.236 10.602 194 HA ALA 29 HA ALA 29 -10.943 4.927 10.781 195 HB1 ALA 29 1HB ALA 29 -11.053 2.678 12.792 196 HB2 ALA 29 2HB ALA 29 -12.303 3.116 11.625 197 HB3 ALA 29 3HB ALA 29 -11.900 4.220 12.940 198 H ALA 30 H ALA 30 -8.110 3.319 11.812 199 HA ALA 30 HA ALA 30 -7.524 5.292 13.886 200 HB1 ALA 30 1HB ALA 30 -5.944 2.888 12.979 201 HB2 ALA 30 2HB ALA 30 -7.031 2.953 14.366 202 HB3 ALA 30 3HB ALA 30 -5.555 3.920 14.356 203 H THR 31 H THR 31 -7.650 5.947 10.974 204 HA THR 31 HA THR 31 -5.380 7.647 10.875 205 HB THR 31 HB THR 31 -4.197 5.604 10.274 206 HG1 THR 31 1HG THR 31 -3.143 6.890 8.975 207 HG21 THR 31 3HG2 THR 31 -5.890 5.381 7.809 208 HG22 THR 31 1HG2 THR 31 -6.330 4.552 9.301 209 HG23 THR 31 2HG2 THR 31 -4.794 4.196 8.516 210 H GLU 32 H GLU 32 -5.378 9.057 9.043 211 HA GLU 32 HA GLU 32 -7.959 9.771 8.131 212 HB2 GLU 32 2HB GLU 32 -5.774 11.180 8.397 213 HB3 GLU 32 1HB GLU 32 -5.442 10.655 6.753 214 HG2 GLU 32 2HG GLU 32 -7.530 11.639 6.000 215 HG3 GLU 32 1HG GLU 32 -7.899 12.135 7.652 216 H VAL 33 H VAL 33 -5.230 9.104 5.946 217 HA VAL 33 HA VAL 33 -7.110 7.895 4.059 218 HB VAL 33 HB VAL 33 -4.216 8.595 3.578 219 HG11 VAL 33 1HG1 VAL 33 -4.935 8.620 1.202 220 HG12 VAL 33 2HG1 VAL 33 -6.516 8.015 1.713 221 HG13 VAL 33 3HG1 VAL 33 -5.068 7.032 1.961 222 HG21 VAL 33 3HG2 VAL 33 -5.338 10.612 4.212 223 HG22 VAL 33 1HG2 VAL 33 -6.704 10.237 3.160 224 HG23 VAL 33 2HG2 VAL 33 -5.130 10.626 2.460 225 H ALA 34 H ALA 34 -7.018 5.795 3.418 226 HA ALA 34 HA ALA 34 -4.806 4.126 4.357 227 HB1 ALA 34 1HB ALA 34 -6.385 3.876 6.121 228 HB2 ALA 34 2HB ALA 34 -6.463 2.410 5.138 229 HB3 ALA 34 3HB ALA 34 -7.710 3.646 4.981 230 H VAL 35 H VAL 35 -4.111 2.822 2.814 231 HA VAL 35 HA VAL 35 -5.970 2.111 0.645 232 HB VAL 35 HB VAL 35 -2.990 2.563 0.554 233 HG11 VAL 35 1HG1 VAL 35 -4.776 1.364 -1.568 234 HG12 VAL 35 2HG1 VAL 35 -3.458 0.548 -0.728 235 HG13 VAL 35 3HG1 VAL 35 -3.112 1.887 -1.820 236 HG21 VAL 35 3HG2 VAL 35 -4.307 4.554 0.376 237 HG22 VAL 35 1HG2 VAL 35 -5.372 3.798 -0.811 238 HG23 VAL 35 2HG2 VAL 35 -3.694 4.158 -1.231 239 H ILE 36 H ILE 36 -6.330 0.028 0.253 240 HA ILE 36 HA ILE 36 -4.603 -1.951 1.563 241 HB ILE 36 HB ILE 36 -7.609 -1.851 1.766 242 HG12 ILE 36 2HG1 ILE 36 -5.695 -1.866 4.067 243 HG13 ILE 36 1HG1 ILE 36 -5.991 -0.364 3.206 244 HG21 ILE 36 1HG2 ILE 36 -5.623 -3.932 2.674 245 HG22 ILE 36 2HG2 ILE 36 -6.991 -4.143 1.576 246 HG23 ILE 36 3HG2 ILE 36 -7.275 -3.824 3.288 247 HD11 ILE 36 3HD1 ILE 36 -8.425 -0.715 3.651 248 HD12 ILE 36 1HD1 ILE 36 -7.422 -0.402 5.068 249 HD13 ILE 36 2HD1 ILE 36 -7.957 -2.046 4.711 250 H GLY 37 H GLY 37 -4.211 -3.752 0.448 251 HA2 GLY 37 2HA GLY 37 -5.450 -3.990 -2.193 252 HA3 GLY 37 1HA GLY 37 -3.946 -4.739 -1.696 253 H PHE 38 H PHE 38 -7.368 -5.065 -1.899 254 HA PHE 38 HA PHE 38 -7.486 -7.484 -0.298 255 HB2 PHE 38 2HB PHE 38 -9.603 -6.299 -2.107 256 HB3 PHE 38 1HB PHE 38 -9.840 -7.511 -0.854 257 HD1 PHE 38 1HD PHE 38 -8.656 -4.018 -1.325 258 HD2 PHE 38 2HD PHE 38 -10.484 -6.853 1.266 259 HE1 PHE 38 1HE PHE 38 -9.096 -2.237 0.307 260 HE2 PHE 38 2HE PHE 38 -10.930 -5.072 2.905 261 HZ PHE 38 HZ PHE 38 -10.235 -2.760 2.426 262 H PHE 39 H PHE 39 -6.135 -8.938 -1.311 263 HA PHE 39 HA PHE 39 -6.822 -9.664 -4.078 264 HB2 PHE 39 2HB PHE 39 -4.257 -10.314 -2.639 265 HB3 PHE 39 1HB PHE 39 -4.583 -10.434 -4.367 266 HD1 PHE 39 2HD PHE 39 -5.806 -7.889 -5.012 267 HD2 PHE 39 1HD PHE 39 -2.590 -8.750 -2.363 268 HE1 PHE 39 2HE PHE 39 -4.937 -5.614 -5.335 269 HE2 PHE 39 1HE PHE 39 -1.717 -6.473 -2.678 270 HZ PHE 39 HZ PHE 39 -2.889 -4.902 -4.168 271 H GLN 40 H GLN 40 -7.391 -11.701 -4.594 272 HA GLN 40 HA GLN 40 -7.944 -13.554 -2.440 273 HB2 GLN 40 2HB GLN 40 -8.388 -13.730 -5.429 274 HB3 GLN 40 1HB GLN 40 -8.869 -14.979 -4.290 275 HG2 GLN 40 2HG GLN 40 -10.386 -13.438 -3.200 276 HG3 GLN 40 1HG GLN 40 -9.867 -12.139 -4.272 277 HE21 GLN 40 1HE2 GLN 40 -10.509 -12.169 -6.432 278 HE22 GLN 40 2HE2 GLN 40 -11.820 -13.150 -6.984 279 H ASP 41 H ASP 41 -5.362 -12.763 -4.316 280 HA ASP 41 HA ASP 41 -3.908 -15.173 -3.617 281 HB2 ASP 41 2HB ASP 41 -4.973 -15.432 -5.971 282 HB3 ASP 41 1HB ASP 41 -3.788 -14.227 -6.480 283 H LEU 42 H LEU 42 -1.951 -14.545 -2.867 284 HA LEU 42 HA LEU 42 -1.114 -11.808 -3.418 285 HB2 LEU 42 2HB LEU 42 -0.061 -13.812 -1.427 286 HB3 LEU 42 1HB LEU 42 0.530 -12.169 -1.604 287 HG LEU 42 HG LEU 42 -2.266 -12.946 -0.781 288 HD11 LEU 42 1HD1 LEU 42 -0.585 -13.413 0.936 289 HD12 LEU 42 2HD1 LEU 42 -1.638 -12.077 1.402 290 HD13 LEU 42 3HD1 LEU 42 -0.005 -11.752 0.818 291 HD21 LEU 42 3HD2 LEU 42 -0.945 -10.251 -1.084 292 HD22 LEU 42 1HD2 LEU 42 -2.491 -10.524 -0.282 293 HD23 LEU 42 2HD2 LEU 42 -2.318 -10.874 -2.000 294 H GLU 43 H GLU 43 -0.873 -13.441 -5.600 295 HA GLU 43 HA GLU 43 2.047 -13.514 -5.932 296 HB2 GLU 43 2HB GLU 43 0.105 -15.562 -7.025 297 HB3 GLU 43 1HB GLU 43 1.828 -15.505 -7.368 298 HG2 GLU 43 2HG GLU 43 2.309 -15.886 -5.009 299 HG3 GLU 43 1HG GLU 43 0.579 -15.963 -4.674 300 H ILE 44 H ILE 44 -0.402 -11.782 -6.618 301 HA ILE 44 HA ILE 44 -0.143 -11.661 -9.532 302 HB ILE 44 HB ILE 44 -1.980 -9.877 -9.230 303 HG12 ILE 44 2HG1 ILE 44 -2.606 -11.328 -6.703 304 HG13 ILE 44 1HG1 ILE 44 -1.468 -9.988 -6.651 305 HG21 ILE 44 1HG2 ILE 44 -2.675 -12.720 -8.511 306 HG22 ILE 44 2HG2 ILE 44 -2.258 -12.182 -10.142 307 HG23 ILE 44 3HG2 ILE 44 -3.693 -11.540 -9.340 308 HD11 ILE 44 3HD1 ILE 44 -3.478 -8.992 -6.150 309 HD12 ILE 44 1HD1 ILE 44 -4.371 -9.986 -7.303 310 HD13 ILE 44 2HD1 ILE 44 -3.322 -8.692 -7.883 311 HA PRO 45 HA PRO 45 2.416 -8.072 -9.788 312 HB2 PRO 45 2HB PRO 45 0.186 -6.802 -11.319 313 HB3 PRO 45 1HB PRO 45 1.896 -6.944 -11.739 314 HG2 PRO 45 2HG PRO 45 0.120 -8.517 -12.910 315 HG3 PRO 45 1HG PRO 45 1.681 -9.178 -12.383 316 HD2 PRO 45 2HD PRO 45 -1.016 -9.451 -11.116 317 HD3 PRO 45 1HD PRO 45 0.289 -10.647 -11.263 318 H ALA 46 H ALA 46 -0.926 -7.661 -8.831 319 HA ALA 46 HA ALA 46 -0.825 -4.982 -8.004 320 HB1 ALA 46 1HB ALA 46 -2.561 -7.114 -6.790 321 HB2 ALA 46 2HB ALA 46 -2.876 -6.387 -8.366 322 HB3 ALA 46 3HB ALA 46 -2.891 -5.384 -6.913 323 H VAL 47 H VAL 47 -0.036 -7.973 -6.280 324 HA VAL 47 HA VAL 47 0.111 -6.854 -3.714 325 HB VAL 47 HB VAL 47 1.903 -9.124 -4.505 326 HG11 VAL 47 1HG1 VAL 47 2.045 -8.333 -2.220 327 HG12 VAL 47 2HG1 VAL 47 1.296 -9.928 -2.259 328 HG13 VAL 47 3HG1 VAL 47 0.298 -8.493 -2.029 329 HG21 VAL 47 3HG2 VAL 47 0.045 -10.665 -4.290 330 HG22 VAL 47 1HG2 VAL 47 -0.273 -9.514 -5.587 331 HG23 VAL 47 2HG2 VAL 47 -1.067 -9.324 -4.023 332 HA PRO 48 HA PRO 48 4.925 -6.294 -4.441 333 HB2 PRO 48 2HB PRO 48 4.967 -6.063 -7.401 334 HB3 PRO 48 1HB PRO 48 6.128 -6.842 -6.318 335 HG2 PRO 48 2HG PRO 48 4.482 -8.291 -7.829 336 HG3 PRO 48 1HG PRO 48 4.881 -8.790 -6.174 337 HD2 PRO 48 2HD PRO 48 2.404 -7.476 -7.214 338 HD3 PRO 48 1HD PRO 48 2.576 -8.761 -6.006 339 H ILE 49 H ILE 49 2.747 -4.993 -6.898 340 HA ILE 49 HA ILE 49 3.841 -2.427 -7.079 341 HB ILE 49 HB ILE 49 1.213 -3.635 -7.772 342 HG12 ILE 49 2HG1 ILE 49 2.940 -1.988 -9.559 343 HG13 ILE 49 1HG1 ILE 49 3.471 -3.603 -9.108 344 HG21 ILE 49 1HG2 ILE 49 1.738 -0.717 -7.518 345 HG22 ILE 49 2HG2 ILE 49 0.291 -1.641 -7.114 346 HG23 ILE 49 3HG2 ILE 49 0.686 -1.313 -8.801 347 HD11 ILE 49 3HD1 ILE 49 0.767 -3.088 -10.289 348 HD12 ILE 49 1HD1 ILE 49 1.646 -4.612 -10.166 349 HD13 ILE 49 2HD1 ILE 49 2.199 -3.363 -11.282 350 H LEU 50 H LEU 50 1.465 -3.795 -4.869 351 HA LEU 50 HA LEU 50 0.781 -1.284 -3.678 352 HB2 LEU 50 2HB LEU 50 -0.804 -3.093 -3.559 353 HB3 LEU 50 1HB LEU 50 0.365 -4.125 -2.765 354 HG LEU 50 HG LEU 50 0.334 -2.527 -0.823 355 HD11 LEU 50 1HD1 LEU 50 -1.503 -0.967 -0.628 356 HD12 LEU 50 2HD1 LEU 50 -2.087 -1.415 -2.232 357 HD13 LEU 50 3HD1 LEU 50 -0.540 -0.588 -2.055 358 HD21 LEU 50 3HD2 LEU 50 -1.006 -4.680 -1.019 359 HD22 LEU 50 1HD2 LEU 50 -2.397 -3.655 -1.392 360 HD23 LEU 50 2HD2 LEU 50 -1.566 -3.493 0.160 361 H HIS 51 H HIS 51 2.773 -4.051 -2.631 362 HA HIS 51 HA HIS 51 3.751 -2.987 -0.266 363 HB2 HIS 51 2HB HIS 51 4.992 -4.865 -2.273 364 HB3 HIS 51 1HB HIS 51 5.843 -4.391 -0.808 365 HD1 HIS 51 1HD HIS 51 2.313 -5.667 -1.500 366 HD2 HIS 51 2HD HIS 51 5.538 -6.313 1.039 367 HE1 HIS 51 1HE HIS 51 1.593 -7.517 0.045 368 HE2 HIS 51 2HE HIS 51 3.529 -7.834 1.626 369 H SER 52 H SER 52 4.455 -2.185 -3.547 370 HA SER 52 HA SER 52 6.893 -0.757 -2.955 371 HB2 SER 52 2HB SER 52 6.623 -1.825 -5.144 372 HB3 SER 52 1HB SER 52 5.206 -0.829 -5.471 373 HG SER 52 HG SER 52 6.701 0.387 -6.370 374 H MET 53 H MET 53 3.548 0.097 -3.838 375 HA MET 53 HA MET 53 3.884 2.873 -3.804 376 HB2 MET 53 2HB MET 53 1.581 3.044 -3.929 377 HB3 MET 53 1HB MET 53 1.848 1.425 -4.554 378 HG2 MET 53 2HG MET 53 0.059 1.153 -3.128 379 HG3 MET 53 1HG MET 53 1.429 0.652 -2.145 380 HE1 MET 53 3HE MET 53 0.278 0.921 0.185 381 HE2 MET 53 1HE MET 53 -1.222 1.206 -0.700 382 HE3 MET 53 2HE MET 53 -0.750 2.290 0.608 383 H VAL 54 H VAL 54 3.648 0.541 -1.287 384 HA VAL 54 HA VAL 54 2.811 2.008 0.896 385 HB VAL 54 HB VAL 54 4.884 -0.168 0.728 386 HG11 VAL 54 1HG1 VAL 54 5.281 1.157 2.735 387 HG12 VAL 54 2HG1 VAL 54 4.643 -0.440 3.138 388 HG13 VAL 54 3HG1 VAL 54 3.586 0.970 3.193 389 HG21 VAL 54 3HG2 VAL 54 1.945 -0.105 1.303 390 HG22 VAL 54 1HG2 VAL 54 2.961 -1.441 1.843 391 HG23 VAL 54 2HG2 VAL 54 2.824 -1.076 0.126 392 H GLN 55 H GLN 55 6.099 1.684 -0.401 393 HA GLN 55 HA GLN 55 7.205 3.506 1.516 394 HB2 GLN 55 2HB GLN 55 8.511 2.649 -1.047 395 HB3 GLN 55 1HB GLN 55 9.265 3.124 0.469 396 HG2 GLN 55 2HG GLN 55 8.485 1.088 1.525 397 HG3 GLN 55 1HG GLN 55 7.653 0.620 0.043 398 HE21 GLN 55 1HE2 GLN 55 10.796 2.152 0.118 399 HE22 GLN 55 2HE2 GLN 55 11.689 0.784 -0.446 400 H LYS 56 H LYS 56 5.449 3.853 -1.318 401 HA LYS 56 HA LYS 56 6.664 6.392 -2.083 402 HB2 LYS 56 2HB LYS 56 4.332 4.899 -3.296 403 HB3 LYS 56 1HB LYS 56 5.103 6.327 -3.972 404 HG2 LYS 56 2HG LYS 56 7.166 5.093 -4.288 405 HG3 LYS 56 1HG LYS 56 6.441 3.660 -3.555 406 HD2 LYS 56 2HD LYS 56 6.294 3.318 -5.881 407 HD3 LYS 56 1HD LYS 56 4.676 3.815 -5.379 408 HE2 LYS 56 2HE LYS 56 5.173 5.025 -7.358 409 HE3 LYS 56 1HE LYS 56 5.319 6.160 -6.015 410 HZ1 LYS 56 3HZ LYS 56 7.703 5.905 -6.075 411 HZ2 LYS 56 1HZ LYS 56 7.144 6.370 -7.604 412 HZ3 LYS 56 2HZ LYS 56 7.593 4.764 -7.318 413 H PHE 57 H PHE 57 4.141 5.143 -0.187 414 HA PHE 57 HA PHE 57 3.094 7.847 0.239 415 HB2 PHE 57 2HB PHE 57 1.525 5.377 -0.428 416 HB3 PHE 57 1HB PHE 57 0.794 6.703 0.472 417 HD1 PHE 57 2HD PHE 57 0.370 8.841 -0.581 418 HD2 PHE 57 1HD PHE 57 2.117 5.625 -2.754 419 HE1 PHE 57 2HE PHE 57 -0.098 10.017 -2.690 420 HE2 PHE 57 1HE PHE 57 1.653 6.797 -4.866 421 HZ PHE 57 HZ PHE 57 0.545 8.995 -4.836 422 HA PRO 58 HA PRO 58 4.302 5.470 4.182 423 HB2 PRO 58 2HB PRO 58 5.367 7.813 5.261 424 HB3 PRO 58 1HB PRO 58 6.299 6.514 4.510 425 HG2 PRO 58 2HG PRO 58 5.346 9.092 3.334 426 HG3 PRO 58 1HG PRO 58 6.896 8.258 3.104 427 HD2 PRO 58 2HD PRO 58 5.016 8.147 1.225 428 HD3 PRO 58 1HD PRO 58 5.972 6.706 1.620 429 H GLY 59 H GLY 59 3.034 8.736 3.604 430 HA2 GLY 59 2HA GLY 59 1.715 9.081 6.057 431 HA3 GLY 59 1HA GLY 59 1.282 9.879 4.550 432 H VAL 60 H VAL 60 0.677 7.592 3.039 433 HA VAL 60 HA VAL 60 -2.013 7.126 3.811 434 HB VAL 60 HB VAL 60 -0.227 6.015 1.662 435 HG11 VAL 60 1HG1 VAL 60 -2.117 4.722 0.782 436 HG12 VAL 60 2HG1 VAL 60 -3.062 5.131 2.216 437 HG13 VAL 60 3HG1 VAL 60 -1.616 4.135 2.367 438 HG21 VAL 60 3HG2 VAL 60 -1.109 8.210 1.268 439 HG22 VAL 60 1HG2 VAL 60 -2.742 7.679 1.674 440 HG23 VAL 60 2HG2 VAL 60 -1.954 7.074 0.214 441 H SER 61 H SER 61 -2.983 5.271 4.654 442 HA SER 61 HA SER 61 -1.245 3.653 6.296 443 HB2 SER 61 2HB SER 61 -3.393 4.459 7.183 444 HB3 SER 61 1HB SER 61 -4.246 3.529 5.953 445 HG SER 61 HG SER 61 -4.084 2.462 8.010 446 H PHE 62 H PHE 62 -0.090 2.256 5.093 447 HA PHE 62 HA PHE 62 -1.067 0.823 2.869 448 HB2 PHE 62 2HB PHE 62 0.981 -0.684 3.422 449 HB3 PHE 62 1HB PHE 62 1.250 0.982 2.920 450 HD1 PHE 62 1HD PHE 62 1.259 -1.323 5.792 451 HD2 PHE 62 2HD PHE 62 2.193 2.589 4.404 452 HE1 PHE 62 1HE PHE 62 2.550 -0.907 7.844 453 HE2 PHE 62 2HE PHE 62 3.486 3.010 6.453 454 HZ PHE 62 HZ PHE 62 3.667 1.262 8.177 455 H GLY 63 H GLY 63 -2.264 -0.943 2.728 456 HA2 GLY 63 2HA GLY 63 -2.317 -2.847 4.947 457 HA3 GLY 63 1HA GLY 63 -3.841 -2.102 4.483 458 H ILE 64 H ILE 64 -3.464 -4.843 4.404 459 HA ILE 64 HA ILE 64 -4.126 -5.368 1.666 460 HB ILE 64 HB ILE 64 -1.505 -5.468 1.991 461 HG12 ILE 64 2HG1 ILE 64 -3.055 -7.579 0.486 462 HG13 ILE 64 1HG1 ILE 64 -2.711 -5.953 -0.088 463 HG21 ILE 64 1HG2 ILE 64 -2.360 -8.215 2.888 464 HG22 ILE 64 2HG2 ILE 64 -1.494 -7.020 3.850 465 HG23 ILE 64 3HG2 ILE 64 -0.719 -7.751 2.446 466 HD11 ILE 64 3HD1 ILE 64 -0.684 -8.105 0.480 467 HD12 ILE 64 1HD1 ILE 64 -0.317 -6.465 -0.055 468 HD13 ILE 64 2HD1 ILE 64 -1.216 -7.556 -1.109 469 H SER 65 H SER 65 -5.298 -7.265 1.436 470 HA SER 65 HA SER 65 -5.517 -9.054 3.725 471 HB2 SER 65 2HB SER 65 -7.186 -7.359 4.234 472 HB3 SER 65 1HB SER 65 -7.880 -7.521 2.620 473 HG SER 65 HG SER 65 -9.118 -8.921 3.600 474 H THR 66 H THR 66 -6.564 -11.038 3.272 475 HA THR 66 HA THR 66 -7.115 -11.598 0.445 476 HB THR 66 HB THR 66 -5.863 -13.705 0.556 477 HG1 THR 66 1HG THR 66 -5.896 -14.035 2.815 478 HG21 THR 66 3HG2 THR 66 -4.801 -11.596 -0.260 479 HG22 THR 66 1HG2 THR 66 -3.662 -12.795 0.356 480 HG23 THR 66 2HG2 THR 66 -4.090 -11.399 1.345 481 H ASP 67 H ASP 67 -8.071 -11.736 3.603 482 HA ASP 67 HA ASP 67 -9.309 -14.278 3.757 483 HB2 ASP 67 2HB ASP 67 -8.794 -12.834 5.726 484 HB3 ASP 67 1HB ASP 67 -10.086 -11.747 5.220 485 H SER 68 H SER 68 -11.413 -14.906 3.400 486 HA SER 68 HA SER 68 -12.736 -13.727 1.214 487 HB2 SER 68 2HB SER 68 -13.777 -15.739 3.222 488 HB3 SER 68 1HB SER 68 -14.519 -15.370 1.665 489 HG SER 68 HG SER 68 -12.259 -16.858 2.253 490 H GLU 69 H GLU 69 -13.625 -13.837 4.668 491 HA GLU 69 HA GLU 69 -16.005 -12.478 4.602 492 HB2 GLU 69 2HB GLU 69 -13.880 -12.137 6.713 493 HB3 GLU 69 1HB GLU 69 -15.600 -11.825 6.897 494 HG2 GLU 69 2HG GLU 69 -16.055 -14.207 6.511 495 HG3 GLU 69 1HG GLU 69 -14.320 -14.501 6.399 496 H VAL 70 H VAL 70 -12.760 -11.046 4.732 497 HA VAL 70 HA VAL 70 -13.711 -8.371 4.817 498 HB VAL 70 HB VAL 70 -11.008 -9.484 4.057 499 HG11 VAL 70 1HG1 VAL 70 -10.182 -7.163 4.359 500 HG12 VAL 70 2HG1 VAL 70 -11.858 -6.619 4.437 501 HG13 VAL 70 3HG1 VAL 70 -11.241 -7.360 2.960 502 HG21 VAL 70 3HG2 VAL 70 -10.305 -8.896 6.234 503 HG22 VAL 70 1HG2 VAL 70 -11.843 -9.736 6.432 504 HG23 VAL 70 2HG2 VAL 70 -11.776 -7.974 6.540 505 H LEU 71 H LEU 71 -12.255 -10.304 2.206 506 HA LEU 71 HA LEU 71 -12.570 -8.421 0.166 507 HB2 LEU 71 2HB LEU 71 -12.220 -11.380 0.260 508 HB3 LEU 71 1HB LEU 71 -12.689 -10.647 -1.264 509 HG LEU 71 HG LEU 71 -10.689 -9.365 -1.377 510 HD11 LEU 71 1HD1 LEU 71 -10.511 -8.644 0.912 511 HD12 LEU 71 2HD1 LEU 71 -8.996 -9.402 0.417 512 HD13 LEU 71 3HD1 LEU 71 -10.133 -10.285 1.437 513 HD21 LEU 71 3HD2 LEU 71 -8.939 -11.106 -1.257 514 HD22 LEU 71 1HD2 LEU 71 -10.405 -11.657 -2.070 515 HD23 LEU 71 2HD2 LEU 71 -10.078 -12.154 -0.410 516 H THR 72 H THR 72 -14.882 -10.204 1.864 517 HA THR 72 HA THR 72 -16.895 -10.078 -0.240 518 HB THR 72 HB THR 72 -17.067 -11.084 2.612 519 HG1 THR 72 1HG THR 72 -17.462 -13.061 1.023 520 HG21 THR 72 3HG2 THR 72 -19.226 -12.094 1.816 521 HG22 THR 72 1HG2 THR 72 -19.088 -11.100 0.365 522 HG23 THR 72 2HG2 THR 72 -19.246 -10.335 1.948 523 H HIS 73 H HIS 73 -16.179 -8.681 2.922 524 HA HIS 73 HA HIS 73 -18.498 -7.144 3.233 525 HB2 HIS 73 2HB HIS 73 -16.873 -7.568 5.044 526 HB3 HIS 73 1HB HIS 73 -15.700 -6.545 4.221 527 HD1 HIS 73 1HD HIS 73 -18.883 -6.385 6.194 528 HD2 HIS 73 2HD HIS 73 -16.082 -3.802 4.536 529 HE1 HIS 73 1HE HIS 73 -19.407 -4.121 7.153 530 HE2 HIS 73 2HE HIS 73 -17.726 -2.565 6.104 531 H TYR 74 H TYR 74 -15.440 -6.473 1.605 532 HA TYR 74 HA TYR 74 -16.375 -3.827 0.814 533 HB2 TYR 74 2HB TYR 74 -13.750 -5.269 0.437 534 HB3 TYR 74 1HB TYR 74 -14.090 -3.696 -0.275 535 HD1 TYR 74 2HD TYR 74 -13.851 -5.493 2.967 536 HD2 TYR 74 1HD TYR 74 -13.815 -1.732 0.981 537 HE1 TYR 74 2HE TYR 74 -13.142 -4.403 5.055 538 HE2 TYR 74 1HE TYR 74 -13.105 -0.631 3.062 539 HH TYR 74 HH TYR 74 -12.016 -2.372 5.784 540 H ASN 75 H ASN 75 -17.242 -6.659 -0.186 541 HA ASN 75 HA ASN 75 -18.022 -7.580 -2.110 542 HB2 ASN 75 2HB ASN 75 -18.020 -4.673 -2.926 543 HB3 ASN 75 1HB ASN 75 -18.778 -5.959 -3.863 544 HD21 ASN 75 1HD2 ASN 75 -20.824 -5.091 -3.654 545 HD22 ASN 75 2HD2 ASN 75 -21.697 -5.115 -2.164 546 H ILE 76 H ILE 76 -15.091 -7.210 -1.768 547 HA ILE 76 HA ILE 76 -13.847 -6.585 -4.206 548 HB ILE 76 HB ILE 76 -12.885 -8.572 -2.146 549 HG12 ILE 76 2HG1 ILE 76 -13.450 -6.434 -1.096 550 HG13 ILE 76 1HG1 ILE 76 -11.713 -6.682 -1.111 551 HG21 ILE 76 1HG2 ILE 76 -10.637 -7.842 -2.962 552 HG22 ILE 76 2HG2 ILE 76 -11.459 -7.007 -4.280 553 HG23 ILE 76 3HG2 ILE 76 -11.591 -8.757 -4.127 554 HD11 ILE 76 3HD1 ILE 76 -13.229 -4.948 -3.046 555 HD12 ILE 76 1HD1 ILE 76 -11.479 -5.152 -2.968 556 HD13 ILE 76 2HD1 ILE 76 -12.337 -4.376 -1.636 557 H THR 77 H THR 77 -13.901 -7.594 -6.104 558 HA THR 77 HA THR 77 -14.145 -10.512 -6.181 559 HB THR 77 HB THR 77 -15.805 -10.400 -8.001 560 HG1 THR 77 1HG THR 77 -16.388 -7.733 -7.360 561 HG21 THR 77 3HG2 THR 77 -17.743 -9.815 -6.635 562 HG22 THR 77 1HG2 THR 77 -16.692 -8.991 -5.484 563 HG23 THR 77 2HG2 THR 77 -16.567 -10.738 -5.701 564 H GLY 78 H GLY 78 -11.759 -9.574 -6.579 565 HA2 GLY 78 2HA GLY 78 -10.757 -10.441 -8.888 566 HA3 GLY 78 1HA GLY 78 -11.346 -8.859 -9.375 567 H ASN 79 H ASN 79 -9.738 -9.941 -6.390 568 HA ASN 79 HA ASN 79 -7.960 -9.075 -5.256 569 HB2 ASN 79 2HB ASN 79 -6.868 -8.825 -8.064 570 HB3 ASN 79 1HB ASN 79 -5.910 -8.811 -6.588 571 HD21 ASN 79 1HD2 ASN 79 -7.808 -10.746 -8.758 572 HD22 ASN 79 2HD2 ASN 79 -7.288 -12.284 -8.164 573 H THR 80 H THR 80 -9.953 -7.253 -5.625 574 HA THR 80 HA THR 80 -9.139 -4.797 -6.781 575 HB THR 80 HB THR 80 -11.257 -5.381 -4.700 576 HG1 THR 80 1HG THR 80 -12.459 -5.936 -6.354 577 HG21 THR 80 3HG2 THR 80 -10.634 -3.004 -4.703 578 HG22 THR 80 1HG2 THR 80 -12.258 -3.251 -5.343 579 HG23 THR 80 2HG2 THR 80 -10.915 -2.936 -6.440 580 H ILE 81 H ILE 81 -8.600 -2.846 -5.777 581 HA ILE 81 HA ILE 81 -7.409 -3.040 -3.082 582 HB ILE 81 HB ILE 81 -6.504 -1.387 -5.451 583 HG12 ILE 81 2HG1 ILE 81 -5.141 -3.595 -3.895 584 HG13 ILE 81 1HG1 ILE 81 -5.777 -3.723 -5.530 585 HG21 ILE 81 1HG2 ILE 81 -6.359 -0.086 -3.388 586 HG22 ILE 81 2HG2 ILE 81 -4.759 -0.495 -4.004 587 HG23 ILE 81 3HG2 ILE 81 -5.427 -1.380 -2.634 588 HD11 ILE 81 3HD1 ILE 81 -3.457 -2.053 -4.607 589 HD12 ILE 81 1HD1 ILE 81 -4.151 -1.986 -6.229 590 HD13 ILE 81 2HD1 ILE 81 -3.414 -3.479 -5.644 591 H CYS 82 H CYS 82 -8.503 -1.837 -1.628 592 HA CYS 82 HA CYS 82 -10.117 0.376 -2.688 593 HB2 CYS 82 2HB CYS 82 -10.485 -1.218 -0.160 594 HB3 CYS 82 1HB CYS 82 -11.491 0.141 -0.644 595 HG CYS 82 HG CYS 82 -12.282 -1.197 -3.068 596 H LEU 83 H LEU 83 -9.866 2.388 -2.043 597 HA LEU 83 HA LEU 83 -7.897 2.956 0.061 598 HB2 LEU 83 2HB LEU 83 -7.073 3.955 -1.855 599 HB3 LEU 83 1HB LEU 83 -8.664 4.328 -2.478 600 HG LEU 83 HG LEU 83 -8.895 6.198 -0.981 601 HD11 LEU 83 1HD1 LEU 83 -7.362 6.819 0.686 602 HD12 LEU 83 2HD1 LEU 83 -6.154 5.663 0.122 603 HD13 LEU 83 3HD1 LEU 83 -7.621 5.089 0.913 604 HD21 LEU 83 3HD2 LEU 83 -6.208 6.143 -2.338 605 HD22 LEU 83 1HD2 LEU 83 -7.003 7.599 -1.740 606 HD23 LEU 83 2HD2 LEU 83 -7.741 6.660 -3.037 607 H PHE 84 H PHE 84 -9.014 3.231 1.925 608 HA PHE 84 HA PHE 84 -11.525 4.726 1.871 609 HB2 PHE 84 2HB PHE 84 -11.101 2.470 3.141 610 HB3 PHE 84 1HB PHE 84 -10.376 3.514 4.360 611 HD1 PHE 84 2HD PHE 84 -11.836 5.504 5.175 612 HD2 PHE 84 1HD PHE 84 -13.375 2.077 3.173 613 HE1 PHE 84 2HE PHE 84 -14.070 5.976 6.090 614 HE2 PHE 84 1HE PHE 84 -15.611 2.545 4.084 615 HZ PHE 84 HZ PHE 84 -15.962 4.495 5.545 616 H ARG 85 H ARG 85 -11.566 6.821 2.361 617 HA ARG 85 HA ARG 85 -9.247 7.955 3.783 618 HB2 ARG 85 2HB ARG 85 -11.135 9.796 2.452 619 HB3 ARG 85 1HB ARG 85 -9.377 9.812 2.500 620 HG2 ARG 85 2HG ARG 85 -9.332 8.002 0.837 621 HG3 ARG 85 1HG ARG 85 -11.100 8.075 0.749 622 HD2 ARG 85 2HD ARG 85 -9.126 10.218 -0.015 623 HD3 ARG 85 1HD ARG 85 -10.223 9.337 -1.078 624 HE ARG 85 HE ARG 85 -11.669 10.733 0.921 625 HH11 ARG 85 1HH1 ARG 85 -9.893 11.211 -2.037 626 HH12 ARG 85 2HH1 ARG 85 -10.758 12.644 -2.480 627 HH21 ARG 85 1HH2 ARG 85 -12.816 12.625 0.348 628 HH22 ARG 85 2HH2 ARG 85 -12.419 13.449 -1.123 629 H LEU 86 H LEU 86 -10.061 7.358 5.816 630 HA LEU 86 HA LEU 86 -12.290 7.512 7.150 631 HB2 LEU 86 2HB LEU 86 -10.504 7.125 8.517 632 HB3 LEU 86 1HB LEU 86 -9.578 8.466 7.877 633 HG LEU 86 HG LEU 86 -11.072 10.019 9.146 634 HD11 LEU 86 1HD1 LEU 86 -12.434 9.104 10.950 635 HD12 LEU 86 2HD1 LEU 86 -12.048 7.466 10.423 636 HD13 LEU 86 3HD1 LEU 86 -12.996 8.529 9.381 637 HD21 LEU 86 3HD2 LEU 86 -9.542 7.966 10.735 638 HD22 LEU 86 1HD2 LEU 86 -10.042 9.550 11.326 639 HD23 LEU 86 2HD2 LEU 86 -8.887 9.431 9.997 640 H VAL 87 H VAL 87 -10.448 10.548 6.774 641 HA VAL 87 HA VAL 87 -12.127 12.322 7.933 642 HB VAL 87 HB VAL 87 -11.395 13.879 5.893 643 HG11 VAL 87 1HG1 VAL 87 -9.558 12.837 8.049 644 HG12 VAL 87 2HG1 VAL 87 -10.718 14.157 8.212 645 HG13 VAL 87 3HG1 VAL 87 -9.328 14.331 7.140 646 HG21 VAL 87 3HG2 VAL 87 -9.198 13.091 5.057 647 HG22 VAL 87 1HG2 VAL 87 -10.552 12.106 4.499 648 HG23 VAL 87 2HG2 VAL 87 -9.516 11.523 5.804 649 H ASP 88 H ASP 88 -12.313 11.561 4.440 650 HA ASP 88 HA ASP 88 -14.998 12.719 4.427 651 HB2 ASP 88 2HB ASP 88 -13.106 12.016 2.182 652 HB3 ASP 88 1HB ASP 88 -14.753 12.591 1.926 653 H ASN 89 H ASN 89 -13.963 9.927 5.264 654 HA ASN 89 HA ASN 89 -14.600 7.745 5.117 655 HB2 ASN 89 2HB ASN 89 -16.938 7.417 5.472 656 HB3 ASN 89 1HB ASN 89 -16.502 8.946 6.229 657 HD21 ASN 89 1HD2 ASN 89 -17.274 10.853 5.398 658 HD22 ASN 89 2HD2 ASN 89 -18.542 10.918 4.227 659 H GLU 90 H GLU 90 -13.795 8.892 2.553 660 HA GLU 90 HA GLU 90 -15.579 7.861 0.552 661 HB2 GLU 90 2HB GLU 90 -12.708 8.771 0.328 662 HB3 GLU 90 1HB GLU 90 -13.770 8.418 -1.027 663 HG2 GLU 90 2HG GLU 90 -14.222 10.565 1.022 664 HG3 GLU 90 1HG GLU 90 -13.556 10.813 -0.590 665 H GLN 91 H GLN 91 -15.031 6.188 -0.970 666 HA GLN 91 HA GLN 91 -13.064 4.227 -0.069 667 HB2 GLN 91 2HB GLN 91 -15.244 3.626 0.969 668 HB3 GLN 91 1HB GLN 91 -15.945 3.504 -0.639 669 HG2 GLN 91 2HG GLN 91 -13.526 1.892 -0.027 670 HG3 GLN 91 1HG GLN 91 -15.072 1.389 0.657 671 HE21 GLN 91 1HE2 GLN 91 -13.179 1.726 -2.211 672 HE22 GLN 91 2HE2 GLN 91 -14.251 0.885 -3.274 673 H LEU 92 H LEU 92 -11.821 4.569 -1.863 674 HA LEU 92 HA LEU 92 -12.979 4.460 -4.515 675 HB2 LEU 92 2HB LEU 92 -10.083 4.620 -3.664 676 HB3 LEU 92 1HB LEU 92 -10.678 4.811 -5.300 677 HG LEU 92 HG LEU 92 -10.169 6.978 -4.477 678 HD11 LEU 92 1HD1 LEU 92 -12.338 8.115 -4.522 679 HD12 LEU 92 2HD1 LEU 92 -13.148 6.559 -4.337 680 HD13 LEU 92 3HD1 LEU 92 -12.197 6.894 -5.786 681 HD21 LEU 92 3HD2 LEU 92 -11.999 6.569 -2.131 682 HD22 LEU 92 1HD2 LEU 92 -10.872 7.892 -2.424 683 HD23 LEU 92 2HD2 LEU 92 -10.262 6.281 -2.054 684 H ASN 93 H ASN 93 -13.266 2.592 -5.603 685 HA ASN 93 HA ASN 93 -11.826 0.232 -4.606 686 HB2 ASN 93 2HB ASN 93 -13.681 -0.937 -6.079 687 HB3 ASN 93 1HB ASN 93 -14.029 -0.378 -4.450 688 HD21 ASN 93 1HD2 ASN 93 -13.627 1.757 -7.195 689 HD22 ASN 93 2HD2 ASN 93 -15.275 2.270 -7.276 690 H LEU 94 H LEU 94 -10.015 -0.004 -5.705 691 HA LEU 94 HA LEU 94 -9.916 0.326 -8.596 692 HB2 LEU 94 2HB LEU 94 -8.100 1.024 -6.864 693 HB3 LEU 94 1HB LEU 94 -7.685 -0.679 -6.840 694 HG LEU 94 HG LEU 94 -7.785 0.675 -9.483 695 HD11 LEU 94 1HD1 LEU 94 -5.437 1.406 -9.172 696 HD12 LEU 94 2HD1 LEU 94 -5.584 1.041 -7.453 697 HD13 LEU 94 3HD1 LEU 94 -6.581 2.304 -8.176 698 HD21 LEU 94 3HD2 LEU 94 -5.957 -0.865 -9.931 699 HD22 LEU 94 1HD2 LEU 94 -7.347 -1.726 -9.274 700 HD23 LEU 94 2HD2 LEU 94 -5.959 -1.380 -8.244 701 H GLU 95 H GLU 95 -11.428 -1.397 -9.000 702 HA GLU 95 HA GLU 95 -10.830 -4.074 -8.144 703 HB2 GLU 95 2HB GLU 95 -12.888 -3.178 -10.152 704 HB3 GLU 95 1HB GLU 95 -12.846 -4.703 -9.277 705 HG2 GLU 95 2HG GLU 95 -13.313 -3.623 -7.213 706 HG3 GLU 95 1HG GLU 95 -13.118 -2.028 -7.937 707 H ASP 96 H ASP 96 -11.604 -5.584 -10.259 708 HA ASP 96 HA ASP 96 -9.311 -6.321 -11.516 709 HB2 ASP 96 2HB ASP 96 -11.005 -7.137 -13.382 710 HB3 ASP 96 1HB ASP 96 -10.970 -7.876 -11.783 711 H GLU 97 H GLU 97 -11.783 -4.198 -12.951 712 HA GLU 97 HA GLU 97 -10.707 -3.737 -15.416 713 HB2 GLU 97 2HB GLU 97 -12.850 -2.795 -14.559 714 HB3 GLU 97 1HB GLU 97 -11.926 -1.600 -13.661 715 HG2 GLU 97 2HG GLU 97 -11.008 -0.752 -15.781 716 HG3 GLU 97 1HG GLU 97 -12.009 -1.914 -16.652 717 H ASP 98 H ASP 98 -9.358 -2.868 -12.408 718 HA ASP 98 HA ASP 98 -7.283 -1.287 -13.764 719 HB2 ASP 98 2HB ASP 98 -8.395 -0.871 -10.973 720 HB3 ASP 98 1HB ASP 98 -7.025 0.001 -11.660 721 H ILE 99 H ILE 99 -7.998 -4.019 -11.882 722 HA ILE 99 HA ILE 99 -5.351 -4.216 -10.681 723 HB ILE 99 HB ILE 99 -7.778 -5.999 -10.509 724 HG12 ILE 99 2HG1 ILE 99 -7.778 -3.817 -9.293 725 HG13 ILE 99 1HG1 ILE 99 -7.940 -5.224 -8.253 726 HG21 ILE 99 1HG2 ILE 99 -6.487 -7.205 -8.726 727 HG22 ILE 99 2HG2 ILE 99 -5.041 -6.382 -9.311 728 HG23 ILE 99 3HG2 ILE 99 -5.921 -7.482 -10.372 729 HD11 ILE 99 3HD1 ILE 99 -5.549 -5.052 -7.704 730 HD12 ILE 99 1HD1 ILE 99 -6.462 -3.612 -7.252 731 HD13 ILE 99 2HD1 ILE 99 -5.449 -3.597 -8.697 732 H GLU 100 H GLU 100 -7.286 -5.857 -13.148 733 HA GLU 100 HA GLU 100 -5.715 -8.025 -13.738 734 HB2 GLU 100 2HB GLU 100 -7.218 -6.239 -15.656 735 HB3 GLU 100 1HB GLU 100 -6.572 -7.821 -16.073 736 HG2 GLU 100 2HG GLU 100 -8.608 -7.319 -13.916 737 HG3 GLU 100 1HG GLU 100 -8.984 -7.840 -15.556 738 H SER 101 H SER 101 -5.272 -4.689 -14.810 739 HA SER 101 HA SER 101 -2.584 -5.436 -15.756 740 HB2 SER 101 2HB SER 101 -4.087 -4.861 -17.642 741 HB3 SER 101 1HB SER 101 -4.373 -3.281 -16.914 742 HG SER 101 HG SER 101 -1.948 -4.315 -17.949 743 H ILE 102 H ILE 102 -3.258 -4.639 -13.121 744 HA ILE 102 HA ILE 102 -2.871 -1.909 -12.614 745 HB ILE 102 HB ILE 102 -3.759 -3.478 -10.942 746 HG12 ILE 102 2HG1 ILE 102 -2.337 -2.650 -9.002 747 HG13 ILE 102 1HG1 ILE 102 -1.286 -1.911 -10.205 748 HG21 ILE 102 1HG2 ILE 102 -2.366 -5.399 -11.341 749 HG22 ILE 102 2HG2 ILE 102 -2.156 -4.885 -9.668 750 HG23 ILE 102 3HG2 ILE 102 -0.922 -4.505 -10.868 751 HD11 ILE 102 3HD1 ILE 102 -4.178 -1.286 -9.701 752 HD12 ILE 102 1HD1 ILE 102 -3.231 -0.623 -11.032 753 HD13 ILE 102 2HD1 ILE 102 -2.787 -0.258 -9.364 754 H ASP 103 H ASP 103 -1.086 -0.715 -12.096 755 HA ASP 103 HA ASP 103 1.545 -1.979 -12.242 756 HB2 ASP 103 2HB ASP 103 0.812 0.508 -13.798 757 HB3 ASP 103 1HB ASP 103 2.404 -0.238 -13.721 758 H ALA 104 H ALA 104 3.166 -0.861 -11.054 759 HA ALA 104 HA ALA 104 2.407 0.313 -8.701 760 HB1 ALA 104 1HB ALA 104 4.972 0.806 -10.197 761 HB2 ALA 104 2HB ALA 104 4.648 -0.507 -9.063 762 HB3 ALA 104 3HB ALA 104 4.692 1.161 -8.492 763 H THR 105 H THR 105 3.027 1.876 -11.784 764 HA THR 105 HA THR 105 2.894 4.550 -10.940 765 HB THR 105 HB THR 105 2.081 3.350 -13.593 766 HG1 THR 105 1HG THR 105 4.288 3.042 -13.108 767 HG21 THR 105 3HG2 THR 105 1.069 5.504 -13.388 768 HG22 THR 105 1HG2 THR 105 2.473 5.661 -14.444 769 HG23 THR 105 2HG2 THR 105 2.564 6.204 -12.768 770 H LYS 106 H LYS 106 0.387 2.349 -12.144 771 HA LYS 106 HA LYS 106 -1.766 4.134 -12.053 772 HB2 LYS 106 2HB LYS 106 -1.790 1.130 -11.676 773 HB3 LYS 106 1HB LYS 106 -3.188 2.125 -12.063 774 HG2 LYS 106 2HG LYS 106 -2.283 2.687 -14.201 775 HG3 LYS 106 1HG LYS 106 -0.749 1.908 -13.811 776 HD2 LYS 106 2HD LYS 106 -1.920 0.374 -15.179 777 HD3 LYS 106 1HD LYS 106 -2.072 -0.239 -13.534 778 HE2 LYS 106 2HE LYS 106 -4.207 -0.406 -14.618 779 HE3 LYS 106 1HE LYS 106 -4.293 0.849 -13.383 780 HZ1 LYS 106 3HZ LYS 106 -4.081 2.526 -15.067 781 HZ2 LYS 106 1HZ LYS 106 -5.354 1.493 -15.489 782 HZ3 LYS 106 2HZ LYS 106 -3.860 1.364 -16.274 783 H LEU 107 H LEU 107 -1.003 1.549 -9.677 784 HA LEU 107 HA LEU 107 -2.872 2.190 -7.766 785 HB2 LEU 107 2HB LEU 107 -0.707 0.482 -7.901 786 HB3 LEU 107 1HB LEU 107 -0.261 1.562 -6.598 787 HG LEU 107 HG LEU 107 -2.509 -0.408 -6.732 788 HD11 LEU 107 1HD1 LEU 107 -0.534 -1.197 -5.686 789 HD12 LEU 107 2HD1 LEU 107 -1.672 -0.829 -4.393 790 HD13 LEU 107 3HD1 LEU 107 -0.353 0.287 -4.749 791 HD21 LEU 107 3HD2 LEU 107 -3.659 1.632 -6.140 792 HD22 LEU 107 1HD2 LEU 107 -2.433 2.011 -4.929 793 HD23 LEU 107 2HD2 LEU 107 -3.494 0.618 -4.708 794 H SER 108 H SER 108 0.488 3.374 -7.876 795 HA SER 108 HA SER 108 0.303 5.174 -5.751 796 HB2 SER 108 2HB SER 108 2.040 5.357 -8.222 797 HB3 SER 108 1HB SER 108 2.294 6.252 -6.723 798 HG SER 108 HG SER 108 2.677 4.313 -5.666 799 H ARG 109 H ARG 109 -0.685 5.461 -9.084 800 HA ARG 109 HA ARG 109 -1.001 8.276 -9.110 801 HB2 ARG 109 2HB ARG 109 -0.785 6.873 -11.159 802 HB3 ARG 109 1HB ARG 109 -2.374 6.205 -10.833 803 HG2 ARG 109 2HG ARG 109 -1.986 9.156 -11.148 804 HG3 ARG 109 1HG ARG 109 -2.154 8.101 -12.553 805 HD2 ARG 109 2HD ARG 109 -4.280 7.248 -11.542 806 HD3 ARG 109 1HD ARG 109 -4.128 8.506 -10.310 807 HE ARG 109 HE ARG 109 -4.022 9.980 -12.504 808 HH11 ARG 109 1HH1 ARG 109 -6.131 7.315 -11.726 809 HH12 ARG 109 2HH1 ARG 109 -7.451 7.916 -12.673 810 HH21 ARG 109 1HH2 ARG 109 -5.759 10.780 -13.749 811 HH22 ARG 109 2HH2 ARG 109 -7.240 9.885 -13.821 812 H PHE 110 H PHE 110 -3.493 5.746 -9.243 813 HA PHE 110 HA PHE 110 -5.721 7.189 -8.703 814 HB2 PHE 110 2HB PHE 110 -4.947 4.413 -7.830 815 HB3 PHE 110 1HB PHE 110 -6.519 5.093 -7.410 816 HD1 PHE 110 2HD PHE 110 -8.150 5.624 -9.163 817 HD2 PHE 110 1HD PHE 110 -4.452 3.721 -10.059 818 HE1 PHE 110 2HE PHE 110 -9.032 4.953 -11.360 819 HE2 PHE 110 1HE PHE 110 -5.325 3.049 -12.258 820 HZ PHE 110 HZ PHE 110 -7.619 3.662 -12.910 821 H ILE 111 H ILE 111 -3.443 5.916 -6.298 822 HA ILE 111 HA ILE 111 -4.778 6.901 -4.025 823 HB ILE 111 HB ILE 111 -1.828 6.391 -4.462 824 HG12 ILE 111 2HG1 ILE 111 -3.872 4.739 -2.969 825 HG13 ILE 111 1HG1 ILE 111 -3.436 4.459 -4.647 826 HG21 ILE 111 1HG2 ILE 111 -1.602 6.426 -2.043 827 HG22 ILE 111 2HG2 ILE 111 -3.310 6.832 -1.870 828 HG23 ILE 111 3HG2 ILE 111 -2.201 7.979 -2.628 829 HD11 ILE 111 3HD1 ILE 111 -2.262 2.944 -3.159 830 HD12 ILE 111 1HD1 ILE 111 -1.564 4.318 -2.301 831 HD13 ILE 111 2HD1 ILE 111 -1.135 4.021 -3.986 832 H GLU 112 H GLU 112 -2.016 8.234 -5.834 833 HA GLU 112 HA GLU 112 -1.762 10.641 -4.490 834 HB2 GLU 112 2HB GLU 112 -0.204 9.732 -6.240 835 HB3 GLU 112 1HB GLU 112 -1.372 10.233 -7.461 836 HG2 GLU 112 2HG GLU 112 -1.107 12.551 -6.788 837 HG3 GLU 112 1HG GLU 112 0.024 12.071 -5.523 838 H ILE 113 H ILE 113 -4.235 9.542 -6.541 839 HA ILE 113 HA ILE 113 -5.184 12.175 -7.277 840 HB ILE 113 HB ILE 113 -5.697 9.420 -8.130 841 HG12 ILE 113 2HG1 ILE 113 -5.969 10.502 -10.306 842 HG13 ILE 113 1HG1 ILE 113 -5.979 12.083 -9.534 843 HG21 ILE 113 1HG2 ILE 113 -7.947 9.917 -9.034 844 HG22 ILE 113 2HG2 ILE 113 -7.983 11.369 -8.032 845 HG23 ILE 113 3HG2 ILE 113 -7.892 9.776 -7.279 846 HD11 ILE 113 3HD1 ILE 113 -3.684 11.801 -8.849 847 HD12 ILE 113 1HD1 ILE 113 -3.832 11.541 -10.586 848 HD13 ILE 113 2HD1 ILE 113 -3.664 10.161 -9.500 849 H ASN 114 H ASN 114 -6.106 9.535 -5.096 850 HA ASN 114 HA ASN 114 -8.150 11.336 -3.971 851 HB2 ASN 114 2HB ASN 114 -8.263 8.330 -4.238 852 HB3 ASN 114 1HB ASN 114 -9.417 9.294 -3.315 853 HD21 ASN 114 1HD2 ASN 114 -9.565 7.597 -5.820 854 HD22 ASN 114 2HD2 ASN 114 -10.381 8.607 -6.960 855 H SER 115 H SER 115 -5.319 10.975 -3.174 856 HA SER 115 HA SER 115 -5.435 9.603 -0.637 857 HB2 SER 115 2HB SER 115 -3.115 10.419 -0.355 858 HB3 SER 115 1HB SER 115 -3.345 9.618 -1.913 859 HG SER 115 HG SER 115 -3.210 11.519 -2.932 860 H LEU 116 H LEU 116 -7.440 11.328 -0.555 861 HA LEU 116 HA LEU 116 -6.538 13.740 0.831 862 HB2 LEU 116 2HB LEU 116 -9.319 12.989 -0.048 863 HB3 LEU 116 1HB LEU 116 -8.793 14.553 0.548 864 HG LEU 116 HG LEU 116 -7.964 13.265 -2.053 865 HD11 LEU 116 1HD1 LEU 116 -10.283 14.156 -1.948 866 HD12 LEU 116 2HD1 LEU 116 -9.252 14.978 -3.118 867 HD13 LEU 116 3HD1 LEU 116 -9.609 15.741 -1.568 868 HD21 LEU 116 3HD2 LEU 116 -7.208 15.938 -0.875 869 HD22 LEU 116 1HD2 LEU 116 -6.834 15.398 -2.512 870 HD23 LEU 116 2HD2 LEU 116 -6.131 14.564 -1.127 Start of MODEL 27 1 H GLU 1 H GLU 1 29.817 -7.162 12.907 2 HA GLU 1 HA GLU 1 28.657 -5.060 11.399 3 HB2 GLU 1 2HB GLU 1 30.706 -6.667 9.862 4 HB3 GLU 1 1HB GLU 1 29.525 -5.586 9.137 5 HG2 GLU 1 2HG GLU 1 31.713 -4.787 11.042 6 HG3 GLU 1 1HG GLU 1 31.713 -4.540 9.297 7 H VAL 2 H VAL 2 26.688 -5.923 11.501 8 HA VAL 2 HA VAL 2 26.269 -8.764 11.090 9 HB VAL 2 HB VAL 2 23.904 -8.283 11.581 10 HG11 VAL 2 1HG1 VAL 2 24.213 -7.558 13.917 11 HG12 VAL 2 2HG1 VAL 2 25.865 -7.075 13.529 12 HG13 VAL 2 3HG1 VAL 2 25.393 -8.771 13.424 13 HG21 VAL 2 3HG2 VAL 2 24.845 -5.423 11.741 14 HG22 VAL 2 1HG2 VAL 2 23.285 -5.995 12.330 15 HG23 VAL 2 2HG2 VAL 2 23.670 -6.096 10.612 16 H GLU 3 H GLU 3 24.225 -9.305 9.719 17 HA GLU 3 HA GLU 3 23.353 -9.551 7.632 18 HB2 GLU 3 2HB GLU 3 22.418 -7.317 8.182 19 HB3 GLU 3 1HB GLU 3 23.821 -6.570 7.431 20 HG2 GLU 3 2HG GLU 3 23.194 -7.656 5.294 21 HG3 GLU 3 1HG GLU 3 21.732 -8.258 6.076 22 H LYS 4 H LYS 4 24.928 -10.808 6.682 23 HA LYS 4 HA LYS 4 27.287 -9.618 5.525 24 HB2 LYS 4 2HB LYS 4 26.185 -12.419 5.580 25 HB3 LYS 4 1HB LYS 4 27.584 -11.998 4.604 26 HG2 LYS 4 2HG LYS 4 28.388 -12.908 6.635 27 HG3 LYS 4 1HG LYS 4 28.684 -11.170 6.694 28 HD2 LYS 4 2HD LYS 4 26.771 -10.844 8.122 29 HD3 LYS 4 1HD LYS 4 26.318 -12.544 7.967 30 HE2 LYS 4 2HE LYS 4 28.853 -11.499 9.226 31 HE3 LYS 4 1HE LYS 4 27.438 -12.087 10.100 32 HZ1 LYS 4 3HZ LYS 4 29.136 -13.789 9.955 33 HZ2 LYS 4 1HZ LYS 4 29.138 -13.693 8.265 34 HZ3 LYS 4 2HZ LYS 4 27.770 -14.261 9.081 35 H SER 5 H SER 5 24.865 -11.761 4.026 36 HA SER 5 HA SER 5 25.161 -10.206 1.549 37 HB2 SER 5 2HB SER 5 25.729 -12.586 1.353 38 HB3 SER 5 1HB SER 5 24.131 -13.025 1.953 39 HG SER 5 HG SER 5 24.904 -12.099 -0.540 40 H SER 6 H SER 6 23.503 -9.098 0.733 41 HA SER 6 HA SER 6 20.813 -9.596 1.825 42 HB2 SER 6 2HB SER 6 21.713 -7.546 2.816 43 HB3 SER 6 1HB SER 6 22.059 -6.904 1.210 44 HG SER 6 HG SER 6 19.457 -7.726 1.603 45 H ASP 7 H ASP 7 19.085 -9.356 0.407 46 HA ASP 7 HA ASP 7 19.845 -9.289 -2.432 47 HB2 ASP 7 2HB ASP 7 18.810 -11.382 -1.750 48 HB3 ASP 7 1HB ASP 7 17.429 -10.515 -1.084 49 H GLY 8 H GLY 8 19.666 -7.211 -3.074 50 HA2 GLY 8 2HA GLY 8 18.575 -5.326 -3.824 51 HA3 GLY 8 1HA GLY 8 17.059 -6.102 -3.393 52 HA PRO 9 HA PRO 9 17.577 -2.351 -0.667 53 HB2 PRO 9 2HB PRO 9 14.621 -2.687 -0.743 54 HB3 PRO 9 1HB PRO 9 15.592 -1.219 -0.905 55 HG2 PRO 9 2HG PRO 9 14.440 -2.314 -3.036 56 HG3 PRO 9 1HG PRO 9 16.072 -1.625 -3.141 57 HD2 PRO 9 2HD PRO 9 15.228 -4.491 -2.979 58 HD3 PRO 9 1HD PRO 9 16.530 -3.750 -3.933 59 H GLY 10 H GLY 10 15.384 -5.128 -0.350 60 HA2 GLY 10 2HA GLY 10 15.924 -6.539 1.660 61 HA3 GLY 10 1HA GLY 10 15.837 -5.037 2.568 62 H ALA 11 H ALA 11 13.778 -3.964 2.744 63 HA ALA 11 HA ALA 11 11.365 -5.095 1.816 64 HB1 ALA 11 1HB ALA 11 12.020 -5.718 4.694 65 HB2 ALA 11 2HB ALA 11 11.930 -6.893 3.382 66 HB3 ALA 11 3HB ALA 11 10.482 -6.025 3.889 67 H ALA 12 H ALA 12 12.878 -3.381 4.515 68 HA ALA 12 HA ALA 12 12.467 -1.377 5.491 69 HB1 ALA 12 1HB ALA 12 11.736 0.410 4.139 70 HB2 ALA 12 2HB ALA 12 10.832 -0.666 3.073 71 HB3 ALA 12 3HB ALA 12 12.596 -0.693 3.062 72 H GLN 13 H GLN 13 9.401 -1.407 3.732 73 HA GLN 13 HA GLN 13 7.980 -2.095 6.194 74 HB2 GLN 13 2HB GLN 13 6.424 -0.203 5.892 75 HB3 GLN 13 1HB GLN 13 8.065 0.329 6.222 76 HG2 GLN 13 2HG GLN 13 8.381 0.726 3.802 77 HG3 GLN 13 1HG GLN 13 6.690 0.293 3.543 78 HE21 GLN 13 1HE2 GLN 13 8.129 2.811 3.053 79 HE22 GLN 13 2HE2 GLN 13 7.265 4.021 3.933 80 H GLU 14 H GLU 14 5.945 -2.991 5.896 81 HA GLU 14 HA GLU 14 5.108 -3.454 3.116 82 HB2 GLU 14 2HB GLU 14 4.695 -5.775 3.536 83 HB3 GLU 14 1HB GLU 14 6.341 -5.431 4.045 84 HG2 GLU 14 2HG GLU 14 5.520 -5.256 6.382 85 HG3 GLU 14 1HG GLU 14 3.931 -5.766 5.810 86 HA PRO 15 HA PRO 15 1.043 -2.365 4.412 87 HB2 PRO 15 2HB PRO 15 -0.519 -4.152 3.058 88 HB3 PRO 15 1HB PRO 15 0.252 -2.753 2.308 89 HG2 PRO 15 2HG PRO 15 1.115 -5.612 2.326 90 HG3 PRO 15 1HG PRO 15 1.147 -4.437 0.999 91 HD2 PRO 15 2HD PRO 15 3.355 -5.082 2.416 92 HD3 PRO 15 1HD PRO 15 3.095 -3.460 1.742 93 H THR 16 H THR 16 -0.458 -2.802 5.957 94 HA THR 16 HA THR 16 0.069 -4.798 7.863 95 HB THR 16 HB THR 16 -2.541 -3.314 7.526 96 HG1 THR 16 1HG THR 16 -0.781 -1.848 7.587 97 HG21 THR 16 3HG2 THR 16 -2.579 -5.153 9.153 98 HG22 THR 16 1HG2 THR 16 -2.713 -3.585 9.947 99 HG23 THR 16 2HG2 THR 16 -1.180 -4.456 9.969 100 H TRP 17 H TRP 17 -1.242 -6.547 8.565 101 HA TRP 17 HA TRP 17 -2.494 -7.976 6.337 102 HB2 TRP 17 2HB TRP 17 -1.549 -8.964 9.035 103 HB3 TRP 17 1HB TRP 17 -2.228 -9.978 7.766 104 HD1 TRP 17 HD TRP 17 -0.721 -9.879 5.354 105 HE1 TRP 17 1HE TRP 17 1.842 -9.953 5.123 106 HE3 TRP 17 3HE TRP 17 0.562 -8.441 10.088 107 HZ2 TRP 17 2HZ TRP 17 4.108 -9.468 6.738 108 HZ3 TRP 17 3HZ TRP 17 2.948 -8.271 10.665 109 HH2 TRP 17 HH TRP 17 4.682 -8.776 9.023 110 H LEU 18 H LEU 18 -4.542 -7.053 6.316 111 HA LEU 18 HA LEU 18 -6.153 -7.045 8.740 112 HB2 LEU 18 2HB LEU 18 -6.941 -6.306 5.923 113 HB3 LEU 18 1HB LEU 18 -7.820 -5.928 7.392 114 HG LEU 18 HG LEU 18 -5.083 -4.861 6.704 115 HD11 LEU 18 1HD1 LEU 18 -7.788 -3.551 6.546 116 HD12 LEU 18 2HD1 LEU 18 -6.727 -3.949 5.195 117 HD13 LEU 18 3HD1 LEU 18 -6.243 -2.722 6.366 118 HD21 LEU 18 3HD2 LEU 18 -5.572 -3.293 8.582 119 HD22 LEU 18 1HD2 LEU 18 -5.352 -4.973 9.074 120 HD23 LEU 18 2HD2 LEU 18 -6.973 -4.288 8.977 121 H THR 19 H THR 19 -5.968 -9.420 8.923 122 HA THR 19 HA THR 19 -7.205 -11.123 7.002 123 HB THR 19 HB THR 19 -6.924 -12.901 8.621 124 HG1 THR 19 1HG THR 19 -6.686 -12.514 10.717 125 HG21 THR 19 3HG2 THR 19 -4.560 -11.021 8.690 126 HG22 THR 19 1HG2 THR 19 -4.937 -12.143 7.382 127 HG23 THR 19 2HG2 THR 19 -4.518 -12.760 8.981 128 H ASP 20 H ASP 20 -8.583 -8.949 9.089 129 HA ASP 20 HA ASP 20 -11.124 -10.397 8.980 130 HB2 ASP 20 2HB ASP 20 -9.980 -9.162 11.493 131 HB3 ASP 20 1HB ASP 20 -11.640 -9.723 11.327 132 H VAL 21 H VAL 21 -12.968 -9.113 8.957 133 HA VAL 21 HA VAL 21 -12.779 -6.663 7.649 134 HB VAL 21 HB VAL 21 -15.131 -7.548 9.323 135 HG11 VAL 21 1HG1 VAL 21 -16.435 -6.251 7.705 136 HG12 VAL 21 2HG1 VAL 21 -14.945 -5.768 6.897 137 HG13 VAL 21 3HG1 VAL 21 -15.259 -5.246 8.552 138 HG21 VAL 21 3HG2 VAL 21 -14.463 -9.365 7.852 139 HG22 VAL 21 1HG2 VAL 21 -14.447 -8.263 6.474 140 HG23 VAL 21 2HG2 VAL 21 -15.967 -8.637 7.286 141 HA PRO 22 HA PRO 22 -13.798 -4.566 11.974 142 HB2 PRO 22 2HB PRO 22 -12.623 -5.933 14.071 143 HB3 PRO 22 1HB PRO 22 -14.341 -5.995 13.665 144 HG2 PRO 22 2HG PRO 22 -12.158 -7.914 12.964 145 HG3 PRO 22 1HG PRO 22 -13.821 -8.249 13.483 146 HD2 PRO 22 2HD PRO 22 -13.118 -8.440 10.917 147 HD3 PRO 22 1HD PRO 22 -14.701 -7.781 11.380 148 H ALA 23 H ALA 23 -10.859 -6.569 11.767 149 HA ALA 23 HA ALA 23 -9.119 -4.637 12.856 150 HB1 ALA 23 1HB ALA 23 -7.313 -6.011 12.001 151 HB2 ALA 23 2HB ALA 23 -8.434 -6.868 10.945 152 HB3 ALA 23 3HB ALA 23 -8.565 -7.042 12.695 153 H ALA 24 H ALA 24 -10.219 -5.338 9.627 154 HA ALA 24 HA ALA 24 -8.441 -3.679 8.206 155 HB1 ALA 24 1HB ALA 24 -9.723 -5.310 7.006 156 HB2 ALA 24 2HB ALA 24 -10.219 -3.715 6.430 157 HB3 ALA 24 3HB ALA 24 -11.243 -4.603 7.559 158 H MET 25 H MET 25 -11.830 -3.104 9.127 159 HA MET 25 HA MET 25 -11.929 -0.400 8.432 160 HB2 MET 25 2HB MET 25 -13.542 -1.757 10.594 161 HB3 MET 25 1HB MET 25 -13.980 -0.307 9.701 162 HG2 MET 25 2HG MET 25 -14.027 -1.668 7.628 163 HG3 MET 25 1HG MET 25 -13.749 -3.100 8.613 164 HE1 MET 25 3HE MET 25 -15.897 0.062 9.474 165 HE2 MET 25 1HE MET 25 -17.509 -0.447 8.972 166 HE3 MET 25 2HE MET 25 -16.252 -0.180 7.763 167 H GLU 26 H GLU 26 -10.685 -1.994 11.270 168 HA GLU 26 HA GLU 26 -10.715 0.290 12.973 169 HB2 GLU 26 2HB GLU 26 -9.401 -2.392 13.058 170 HB3 GLU 26 1HB GLU 26 -8.826 -1.132 14.142 171 HG2 GLU 26 2HG GLU 26 -11.251 -0.857 14.849 172 HG3 GLU 26 1HG GLU 26 -11.545 -2.381 14.011 173 H PHE 27 H PHE 27 -8.169 -1.262 11.032 174 HA PHE 27 HA PHE 27 -6.169 0.601 11.647 175 HB2 PHE 27 2HB PHE 27 -6.555 -1.463 9.549 176 HB3 PHE 27 1HB PHE 27 -5.371 -0.202 9.210 177 HD1 PHE 27 1HD PHE 27 -6.237 -2.988 11.444 178 HD2 PHE 27 2HD PHE 27 -3.315 -0.071 10.416 179 HE1 PHE 27 1HE PHE 27 -4.584 -4.160 12.838 180 HE2 PHE 27 2HE PHE 27 -1.656 -1.237 11.809 181 HZ PHE 27 HZ PHE 27 -2.290 -3.284 13.022 182 H ILE 28 H ILE 28 -8.738 0.586 9.263 183 HA ILE 28 HA ILE 28 -7.820 2.905 7.853 184 HB ILE 28 HB ILE 28 -10.474 1.483 7.958 185 HG12 ILE 28 2HG1 ILE 28 -8.677 1.965 5.586 186 HG13 ILE 28 1HG1 ILE 28 -8.439 0.598 6.674 187 HG21 ILE 28 1HG2 ILE 28 -11.007 3.827 7.707 188 HG22 ILE 28 2HG2 ILE 28 -11.250 3.003 6.169 189 HG23 ILE 28 3HG2 ILE 28 -9.815 3.992 6.421 190 HD11 ILE 28 3HD1 ILE 28 -10.464 -0.389 6.055 191 HD12 ILE 28 1HD1 ILE 28 -9.771 0.204 4.544 192 HD13 ILE 28 2HD1 ILE 28 -11.069 1.103 5.329 193 H ALA 29 H ALA 29 -9.967 2.288 10.556 194 HA ALA 29 HA ALA 29 -10.947 4.962 10.764 195 HB1 ALA 29 1HB ALA 29 -11.865 4.211 12.925 196 HB2 ALA 29 2HB ALA 29 -10.982 2.692 12.755 197 HB3 ALA 29 3HB ALA 29 -12.258 3.106 11.608 198 H ALA 30 H ALA 30 -8.086 3.359 11.732 199 HA ALA 30 HA ALA 30 -7.473 5.326 13.807 200 HB1 ALA 30 1HB ALA 30 -5.898 2.923 12.896 201 HB2 ALA 30 2HB ALA 30 -7.005 2.968 14.268 202 HB3 ALA 30 3HB ALA 30 -5.533 3.939 14.290 203 H THR 31 H THR 31 -7.599 5.932 10.864 204 HA THR 31 HA THR 31 -5.322 7.633 10.756 205 HB THR 31 HB THR 31 -4.184 5.548 10.166 206 HG1 THR 31 1HG THR 31 -3.071 6.596 8.683 207 HG21 THR 31 3HG2 THR 31 -4.818 4.152 8.432 208 HG22 THR 31 1HG2 THR 31 -5.793 5.395 7.649 209 HG23 THR 31 2HG2 THR 31 -6.371 4.617 9.122 210 H GLU 32 H GLU 32 -5.357 9.065 8.958 211 HA GLU 32 HA GLU 32 -7.935 9.735 8.025 212 HB2 GLU 32 2HB GLU 32 -5.796 11.192 8.301 213 HB3 GLU 32 1HB GLU 32 -5.418 10.656 6.670 214 HG2 GLU 32 2HG GLU 32 -7.425 11.630 5.816 215 HG3 GLU 32 1HG GLU 32 -7.980 12.017 7.444 216 H VAL 33 H VAL 33 -5.225 9.207 5.800 217 HA VAL 33 HA VAL 33 -7.064 7.941 3.925 218 HB VAL 33 HB VAL 33 -4.169 8.645 3.461 219 HG11 VAL 33 1HG1 VAL 33 -4.894 8.708 1.087 220 HG12 VAL 33 2HG1 VAL 33 -6.472 8.091 1.594 221 HG13 VAL 33 3HG1 VAL 33 -5.020 7.109 1.825 222 HG21 VAL 33 3HG2 VAL 33 -5.296 10.660 4.122 223 HG22 VAL 33 1HG2 VAL 33 -6.646 10.305 3.041 224 HG23 VAL 33 2HG2 VAL 33 -5.058 10.696 2.374 225 H ALA 34 H ALA 34 -7.004 5.831 3.368 226 HA ALA 34 HA ALA 34 -4.774 4.180 4.311 227 HB1 ALA 34 1HB ALA 34 -6.409 2.464 5.096 228 HB2 ALA 34 2HB ALA 34 -7.686 3.662 4.879 229 HB3 ALA 34 3HB ALA 34 -6.397 3.948 6.050 230 H VAL 35 H VAL 35 -4.053 2.876 2.780 231 HA VAL 35 HA VAL 35 -5.882 2.155 0.590 232 HB VAL 35 HB VAL 35 -2.904 2.614 0.549 233 HG11 VAL 35 1HG1 VAL 35 -4.638 1.382 -1.597 234 HG12 VAL 35 2HG1 VAL 35 -3.328 0.587 -0.723 235 HG13 VAL 35 3HG1 VAL 35 -2.974 1.920 -1.820 236 HG21 VAL 35 3HG2 VAL 35 -5.248 3.815 -0.910 237 HG22 VAL 35 1HG2 VAL 35 -3.556 4.206 -1.236 238 HG23 VAL 35 2HG2 VAL 35 -4.265 4.587 0.336 239 H ILE 36 H ILE 36 -6.284 0.089 0.256 240 HA ILE 36 HA ILE 36 -4.556 -1.905 1.537 241 HB ILE 36 HB ILE 36 -7.560 -1.806 1.772 242 HG12 ILE 36 2HG1 ILE 36 -5.639 -1.799 4.066 243 HG13 ILE 36 1HG1 ILE 36 -5.929 -0.302 3.195 244 HG21 ILE 36 1HG2 ILE 36 -6.883 -4.095 1.582 245 HG22 ILE 36 2HG2 ILE 36 -7.226 -3.771 3.283 246 HG23 ILE 36 3HG2 ILE 36 -5.554 -3.854 2.718 247 HD11 ILE 36 3HD1 ILE 36 -8.350 -0.598 3.648 248 HD12 ILE 36 1HD1 ILE 36 -7.353 -0.362 5.084 249 HD13 ILE 36 2HD1 ILE 36 -7.932 -1.977 4.666 250 H GLY 37 H GLY 37 -4.244 -3.742 0.448 251 HA2 GLY 37 2HA GLY 37 -5.507 -3.957 -2.185 252 HA3 GLY 37 1HA GLY 37 -4.002 -4.716 -1.710 253 H PHE 38 H PHE 38 -7.428 -5.024 -1.868 254 HA PHE 38 HA PHE 38 -7.522 -7.435 -0.255 255 HB2 PHE 38 2HB PHE 38 -9.643 -6.115 -1.971 256 HB3 PHE 38 1HB PHE 38 -9.909 -7.482 -0.894 257 HD1 PHE 38 1HD PHE 38 -8.820 -6.967 1.570 258 HD2 PHE 38 2HD PHE 38 -10.423 -4.120 -1.151 259 HE1 PHE 38 1HE PHE 38 -9.259 -5.435 3.444 260 HE2 PHE 38 2HE PHE 38 -10.868 -2.585 0.720 261 HZ PHE 38 HZ PHE 38 -10.284 -3.238 3.019 262 H PHE 39 H PHE 39 -6.229 -8.922 -1.261 263 HA PHE 39 HA PHE 39 -6.915 -9.639 -4.034 264 HB2 PHE 39 2HB PHE 39 -4.364 -10.317 -2.579 265 HB3 PHE 39 1HB PHE 39 -4.686 -10.452 -4.306 266 HD1 PHE 39 1HD PHE 39 -5.852 -7.910 -5.005 267 HD2 PHE 39 2HD PHE 39 -2.690 -8.767 -2.293 268 HE1 PHE 39 1HE PHE 39 -4.944 -5.654 -5.359 269 HE2 PHE 39 2HE PHE 39 -1.775 -6.510 -2.640 270 HZ PHE 39 HZ PHE 39 -2.904 -4.950 -4.175 271 H GLN 40 H GLN 40 -7.254 -11.750 -4.605 272 HA GLN 40 HA GLN 40 -7.872 -13.588 -2.421 273 HB2 GLN 40 2HB GLN 40 -8.404 -13.822 -5.395 274 HB3 GLN 40 1HB GLN 40 -8.967 -14.945 -4.165 275 HG2 GLN 40 2HG GLN 40 -10.322 -13.191 -3.164 276 HG3 GLN 40 1HG GLN 40 -9.744 -12.045 -4.374 277 HE21 GLN 40 1HE2 GLN 40 -12.461 -12.933 -3.785 278 HE22 GLN 40 2HE2 GLN 40 -13.081 -13.587 -5.259 279 H ASP 41 H ASP 41 -5.351 -12.766 -4.324 280 HA ASP 41 HA ASP 41 -3.898 -15.209 -3.773 281 HB2 ASP 41 2HB ASP 41 -4.956 -15.557 -6.028 282 HB3 ASP 41 1HB ASP 41 -4.078 -14.140 -6.604 283 H LEU 42 H LEU 42 -2.047 -14.515 -2.885 284 HA LEU 42 HA LEU 42 -1.156 -11.805 -3.419 285 HB2 LEU 42 2HB LEU 42 -0.120 -13.869 -1.476 286 HB3 LEU 42 1HB LEU 42 0.462 -12.216 -1.597 287 HG LEU 42 HG LEU 42 -2.333 -13.042 -0.821 288 HD11 LEU 42 1HD1 LEU 42 -0.688 -13.536 0.909 289 HD12 LEU 42 2HD1 LEU 42 -1.723 -12.191 1.387 290 HD13 LEU 42 3HD1 LEU 42 -0.083 -11.883 0.818 291 HD21 LEU 42 3HD2 LEU 42 -1.035 -10.341 -1.130 292 HD22 LEU 42 1HD2 LEU 42 -2.524 -10.606 -0.222 293 HD23 LEU 42 2HD2 LEU 42 -2.473 -10.956 -1.950 294 H GLU 43 H GLU 43 -0.912 -13.300 -5.652 295 HA GLU 43 HA GLU 43 2.001 -13.409 -5.971 296 HB2 GLU 43 2HB GLU 43 0.067 -15.452 -7.081 297 HB3 GLU 43 1HB GLU 43 1.785 -15.384 -7.433 298 HG2 GLU 43 2HG GLU 43 2.276 -15.784 -5.076 299 HG3 GLU 43 1HG GLU 43 0.548 -15.874 -4.740 300 H ILE 44 H ILE 44 -0.599 -11.799 -6.706 301 HA ILE 44 HA ILE 44 -0.279 -11.620 -9.599 302 HB ILE 44 HB ILE 44 -2.105 -9.825 -9.298 303 HG12 ILE 44 2HG1 ILE 44 -2.728 -11.257 -6.760 304 HG13 ILE 44 1HG1 ILE 44 -1.582 -9.926 -6.722 305 HG21 ILE 44 1HG2 ILE 44 -2.801 -12.668 -8.571 306 HG22 ILE 44 2HG2 ILE 44 -2.415 -12.121 -10.205 307 HG23 ILE 44 3HG2 ILE 44 -3.835 -11.483 -9.374 308 HD11 ILE 44 3HD1 ILE 44 -3.431 -8.618 -7.944 309 HD12 ILE 44 1HD1 ILE 44 -3.583 -8.918 -6.213 310 HD13 ILE 44 2HD1 ILE 44 -4.487 -9.905 -7.363 311 HA PRO 45 HA PRO 45 2.314 -8.054 -9.880 312 HB2 PRO 45 2HB PRO 45 0.073 -6.761 -11.377 313 HB3 PRO 45 1HB PRO 45 1.776 -6.908 -11.820 314 HG2 PRO 45 2HG PRO 45 -0.028 -8.466 -12.974 315 HG3 PRO 45 1HG PRO 45 1.540 -9.136 -12.480 316 HD2 PRO 45 2HD PRO 45 -1.139 -9.415 -11.180 317 HD3 PRO 45 1HD PRO 45 0.164 -10.607 -11.341 318 H ALA 46 H ALA 46 -1.022 -7.602 -8.921 319 HA ALA 46 HA ALA 46 -0.885 -4.934 -8.076 320 HB1 ALA 46 1HB ALA 46 -2.649 -7.025 -6.845 321 HB2 ALA 46 2HB ALA 46 -2.941 -6.352 -8.449 322 HB3 ALA 46 3HB ALA 46 -2.962 -5.299 -7.033 323 H VAL 47 H VAL 47 -0.127 -7.939 -6.365 324 HA VAL 47 HA VAL 47 0.022 -6.832 -3.794 325 HB VAL 47 HB VAL 47 1.804 -9.108 -4.585 326 HG11 VAL 47 1HG1 VAL 47 1.213 -9.914 -2.348 327 HG12 VAL 47 2HG1 VAL 47 0.171 -8.509 -2.118 328 HG13 VAL 47 3HG1 VAL 47 1.914 -8.296 -2.290 329 HG21 VAL 47 3HG2 VAL 47 -1.172 -9.287 -4.134 330 HG22 VAL 47 1HG2 VAL 47 -0.069 -10.641 -4.376 331 HG23 VAL 47 2HG2 VAL 47 -0.357 -9.494 -5.684 332 HA PRO 48 HA PRO 48 4.838 -6.326 -4.467 333 HB2 PRO 48 2HB PRO 48 4.943 -6.091 -7.422 334 HB3 PRO 48 1HB PRO 48 6.066 -6.894 -6.314 335 HG2 PRO 48 2HG PRO 48 4.428 -8.313 -7.864 336 HG3 PRO 48 1HG PRO 48 4.782 -8.822 -6.202 337 HD2 PRO 48 2HD PRO 48 2.355 -7.456 -7.288 338 HD3 PRO 48 1HD PRO 48 2.473 -8.753 -6.088 339 H ILE 49 H ILE 49 2.662 -4.994 -6.899 340 HA ILE 49 HA ILE 49 3.815 -2.440 -7.070 341 HB ILE 49 HB ILE 49 1.179 -3.608 -7.809 342 HG12 ILE 49 2HG1 ILE 49 2.938 -1.955 -9.559 343 HG13 ILE 49 1HG1 ILE 49 3.465 -3.571 -9.110 344 HG21 ILE 49 1HG2 ILE 49 0.264 -1.614 -7.153 345 HG22 ILE 49 2HG2 ILE 49 0.713 -1.254 -8.820 346 HG23 ILE 49 3HG2 ILE 49 1.735 -0.705 -7.491 347 HD11 ILE 49 3HD1 ILE 49 2.190 -3.271 -11.301 348 HD12 ILE 49 1HD1 ILE 49 0.757 -3.097 -10.285 349 HD13 ILE 49 2HD1 ILE 49 1.705 -4.586 -10.229 350 H LEU 50 H LEU 50 1.404 -3.802 -4.892 351 HA LEU 50 HA LEU 50 0.752 -1.288 -3.686 352 HB2 LEU 50 2HB LEU 50 -0.879 -3.042 -3.584 353 HB3 LEU 50 1HB LEU 50 0.261 -4.132 -2.827 354 HG LEU 50 HG LEU 50 0.299 -2.563 -0.850 355 HD11 LEU 50 1HD1 LEU 50 -0.577 -0.593 -2.031 356 HD12 LEU 50 2HD1 LEU 50 -1.521 -0.992 -0.596 357 HD13 LEU 50 3HD1 LEU 50 -2.134 -1.403 -2.199 358 HD21 LEU 50 3HD2 LEU 50 -1.043 -4.696 -1.023 359 HD22 LEU 50 1HD2 LEU 50 -2.438 -3.686 -1.423 360 HD23 LEU 50 2HD2 LEU 50 -1.629 -3.502 0.138 361 H HIS 51 H HIS 51 2.657 -4.108 -2.609 362 HA HIS 51 HA HIS 51 3.629 -3.040 -0.239 363 HB2 HIS 51 2HB HIS 51 4.885 -4.994 -2.172 364 HB3 HIS 51 1HB HIS 51 5.614 -4.581 -0.623 365 HD1 HIS 51 1HD HIS 51 5.217 -6.450 0.930 366 HD2 HIS 51 2HD HIS 51 1.896 -5.706 -1.451 367 HE1 HIS 51 1HE HIS 51 3.456 -8.066 1.710 368 HE2 HIS 51 2HE HIS 51 1.490 -7.666 0.186 369 H SER 52 H SER 52 4.366 -2.254 -3.492 370 HA SER 52 HA SER 52 6.874 -0.936 -2.878 371 HB2 SER 52 2HB SER 52 6.618 -2.053 -5.045 372 HB3 SER 52 1HB SER 52 5.249 -1.011 -5.434 373 HG SER 52 HG SER 52 7.196 0.602 -4.790 374 H MET 53 H MET 53 3.567 -0.015 -3.817 375 HA MET 53 HA MET 53 3.987 2.757 -3.866 376 HB2 MET 53 2HB MET 53 1.684 2.992 -4.009 377 HB3 MET 53 1HB MET 53 1.918 1.360 -4.613 378 HG2 MET 53 2HG MET 53 0.108 1.149 -3.201 379 HG3 MET 53 1HG MET 53 1.457 0.622 -2.202 380 HE1 MET 53 3HE MET 53 -0.556 2.296 0.601 381 HE2 MET 53 1HE MET 53 0.444 0.924 0.121 382 HE3 MET 53 2HE MET 53 -1.105 1.207 -0.672 383 H VAL 54 H VAL 54 3.640 0.489 -1.305 384 HA VAL 54 HA VAL 54 2.817 2.017 0.835 385 HB VAL 54 HB VAL 54 4.842 -0.208 0.740 386 HG11 VAL 54 1HG1 VAL 54 4.531 -0.434 3.153 387 HG12 VAL 54 2HG1 VAL 54 3.526 1.015 3.155 388 HG13 VAL 54 3HG1 VAL 54 5.236 1.129 2.734 389 HG21 VAL 54 3HG2 VAL 54 2.807 -1.128 0.133 390 HG22 VAL 54 1HG2 VAL 54 1.892 -0.061 1.195 391 HG23 VAL 54 2HG2 VAL 54 2.836 -1.384 1.876 392 H GLN 55 H GLN 55 6.137 1.555 -0.349 393 HA GLN 55 HA GLN 55 7.246 3.394 1.535 394 HB2 GLN 55 2HB GLN 55 8.550 2.480 -1.010 395 HB3 GLN 55 1HB GLN 55 9.311 2.993 0.491 396 HG2 GLN 55 2HG GLN 55 8.462 0.989 1.603 397 HG3 GLN 55 1HG GLN 55 7.721 0.471 0.087 398 HE21 GLN 55 1HE2 GLN 55 9.022 -0.273 -1.581 399 HE22 GLN 55 2HE2 GLN 55 10.669 -0.730 -1.332 400 H LYS 56 H LYS 56 5.480 3.779 -1.270 401 HA LYS 56 HA LYS 56 6.763 6.286 -2.047 402 HB2 LYS 56 2HB LYS 56 4.414 4.837 -3.284 403 HB3 LYS 56 1HB LYS 56 5.218 6.249 -3.948 404 HG2 LYS 56 2HG LYS 56 7.261 4.975 -4.252 405 HG3 LYS 56 1HG LYS 56 6.497 3.555 -3.532 406 HD2 LYS 56 2HD LYS 56 6.382 3.250 -5.875 407 HD3 LYS 56 1HD LYS 56 4.761 3.730 -5.366 408 HE2 LYS 56 2HE LYS 56 5.233 4.982 -7.313 409 HE3 LYS 56 1HE LYS 56 5.413 6.094 -5.954 410 HZ1 LYS 56 3HZ LYS 56 7.615 4.731 -7.405 411 HZ2 LYS 56 1HZ LYS 56 7.817 5.729 -6.053 412 HZ3 LYS 56 2HZ LYS 56 7.219 6.372 -7.498 413 H PHE 57 H PHE 57 4.165 5.071 -0.209 414 HA PHE 57 HA PHE 57 3.181 7.800 0.221 415 HB2 PHE 57 2HB PHE 57 1.554 5.361 -0.436 416 HB3 PHE 57 1HB PHE 57 0.852 6.742 0.405 417 HD1 PHE 57 2HD PHE 57 2.237 5.525 -2.752 418 HD2 PHE 57 1HD PHE 57 0.492 8.838 -0.731 419 HE1 PHE 57 2HE PHE 57 1.853 6.638 -4.912 420 HE2 PHE 57 1HE PHE 57 0.106 9.957 -2.889 421 HZ PHE 57 HZ PHE 57 0.787 8.855 -4.982 422 HA PRO 58 HA PRO 58 4.311 5.398 4.169 423 HB2 PRO 58 2HB PRO 58 5.343 7.747 5.275 424 HB3 PRO 58 1HB PRO 58 6.294 6.448 4.549 425 HG2 PRO 58 2HG PRO 58 5.362 9.020 3.344 426 HG3 PRO 58 1HG PRO 58 6.918 8.187 3.149 427 HD2 PRO 58 2HD PRO 58 5.087 8.063 1.227 428 HD3 PRO 58 1HD PRO 58 6.024 6.619 1.660 429 H GLY 59 H GLY 59 3.110 8.717 3.680 430 HA2 GLY 59 2HA GLY 59 1.739 9.010 6.093 431 HA3 GLY 59 1HA GLY 59 1.312 9.822 4.591 432 H VAL 60 H VAL 60 0.677 7.637 3.022 433 HA VAL 60 HA VAL 60 -1.998 7.120 3.762 434 HB VAL 60 HB VAL 60 -0.164 6.012 1.649 435 HG11 VAL 60 1HG1 VAL 60 -2.038 4.732 0.722 436 HG12 VAL 60 2HG1 VAL 60 -3.016 5.143 2.132 437 HG13 VAL 60 3HG1 VAL 60 -1.578 4.138 2.317 438 HG21 VAL 60 3HG2 VAL 60 -1.019 8.210 1.240 439 HG22 VAL 60 1HG2 VAL 60 -2.665 7.695 1.611 440 HG23 VAL 60 2HG2 VAL 60 -1.852 7.087 0.166 441 H SER 61 H SER 61 -2.973 5.226 4.562 442 HA SER 61 HA SER 61 -1.238 3.627 6.237 443 HB2 SER 61 2HB SER 61 -3.409 4.452 7.084 444 HB3 SER 61 1HB SER 61 -4.233 3.462 5.883 445 HG SER 61 HG SER 61 -2.615 1.835 7.100 446 H PHE 62 H PHE 62 -0.085 2.215 5.071 447 HA PHE 62 HA PHE 62 -1.048 0.777 2.839 448 HB2 PHE 62 2HB PHE 62 1.006 -0.719 3.411 449 HB3 PHE 62 1HB PHE 62 1.267 0.945 2.892 450 HD1 PHE 62 1HD PHE 62 1.352 -1.353 5.755 451 HD2 PHE 62 2HD PHE 62 2.120 2.604 4.397 452 HE1 PHE 62 1HE PHE 62 2.622 -0.901 7.810 453 HE2 PHE 62 2HE PHE 62 3.395 3.065 6.450 454 HZ PHE 62 HZ PHE 62 3.648 1.312 8.160 455 H GLY 63 H GLY 63 -2.259 -0.980 2.718 456 HA2 GLY 63 2HA GLY 63 -2.285 -2.886 4.935 457 HA3 GLY 63 1HA GLY 63 -3.815 -2.145 4.488 458 H ILE 64 H ILE 64 -3.380 -4.895 4.404 459 HA ILE 64 HA ILE 64 -4.093 -5.417 1.673 460 HB ILE 64 HB ILE 64 -1.473 -5.482 1.946 461 HG12 ILE 64 2HG1 ILE 64 -3.004 -7.645 0.497 462 HG13 ILE 64 1HG1 ILE 64 -2.717 -6.018 -0.102 463 HG21 ILE 64 1HG2 ILE 64 -1.402 -7.011 3.823 464 HG22 ILE 64 2HG2 ILE 64 -0.635 -7.741 2.415 465 HG23 ILE 64 3HG2 ILE 64 -2.259 -8.234 2.887 466 HD11 ILE 64 3HD1 ILE 64 -0.630 -8.120 0.435 467 HD12 ILE 64 1HD1 ILE 64 -0.303 -6.468 -0.093 468 HD13 ILE 64 2HD1 ILE 64 -1.196 -7.570 -1.143 469 H SER 65 H SER 65 -5.245 -7.338 1.458 470 HA SER 65 HA SER 65 -5.377 -9.135 3.745 471 HB2 SER 65 2HB SER 65 -7.044 -7.504 4.366 472 HB3 SER 65 1HB SER 65 -7.770 -7.575 2.761 473 HG SER 65 HG SER 65 -8.933 -9.155 3.480 474 H THR 66 H THR 66 -6.611 -11.079 3.335 475 HA THR 66 HA THR 66 -7.149 -11.653 0.516 476 HB THR 66 HB THR 66 -5.967 -13.835 0.709 477 HG1 THR 66 1HG THR 66 -5.055 -14.385 2.541 478 HG21 THR 66 3HG2 THR 66 -4.206 -11.429 1.158 479 HG22 THR 66 1HG2 THR 66 -4.912 -11.904 -0.386 480 HG23 THR 66 2HG2 THR 66 -3.727 -12.948 0.402 481 H ASP 67 H ASP 67 -8.151 -11.710 3.645 482 HA ASP 67 HA ASP 67 -9.428 -14.236 3.827 483 HB2 ASP 67 2HB ASP 67 -8.908 -12.765 5.779 484 HB3 ASP 67 1HB ASP 67 -10.184 -11.674 5.248 485 H SER 68 H SER 68 -11.488 -14.864 3.358 486 HA SER 68 HA SER 68 -12.767 -13.654 1.169 487 HB2 SER 68 2HB SER 68 -13.829 -15.705 3.125 488 HB3 SER 68 1HB SER 68 -14.573 -15.299 1.578 489 HG SER 68 HG SER 68 -13.221 -17.146 1.438 490 H GLU 69 H GLU 69 -13.726 -13.787 4.601 491 HA GLU 69 HA GLU 69 -16.114 -12.443 4.482 492 HB2 GLU 69 2HB GLU 69 -14.044 -12.107 6.648 493 HB3 GLU 69 1HB GLU 69 -15.773 -11.816 6.794 494 HG2 GLU 69 2HG GLU 69 -16.174 -14.211 6.329 495 HG3 GLU 69 1HG GLU 69 -14.428 -14.465 6.323 496 H VAL 70 H VAL 70 -12.877 -11.003 4.685 497 HA VAL 70 HA VAL 70 -13.837 -8.333 4.763 498 HB VAL 70 HB VAL 70 -11.121 -9.437 4.040 499 HG11 VAL 70 1HG1 VAL 70 -11.314 -7.321 2.939 500 HG12 VAL 70 2HG1 VAL 70 -10.315 -7.103 4.378 501 HG13 VAL 70 3HG1 VAL 70 -11.999 -6.577 4.386 502 HG21 VAL 70 3HG2 VAL 70 -10.612 -8.277 6.295 503 HG22 VAL 70 1HG2 VAL 70 -11.435 -9.839 6.308 504 HG23 VAL 70 2HG2 VAL 70 -12.355 -8.353 6.540 505 H LEU 71 H LEU 71 -12.312 -10.227 2.159 506 HA LEU 71 HA LEU 71 -12.626 -8.341 0.128 507 HB2 LEU 71 2HB LEU 71 -12.275 -11.303 0.192 508 HB3 LEU 71 1HB LEU 71 -12.699 -10.537 -1.329 509 HG LEU 71 HG LEU 71 -10.695 -9.271 -1.372 510 HD11 LEU 71 1HD1 LEU 71 -10.566 -8.555 0.913 511 HD12 LEU 71 2HD1 LEU 71 -9.050 -9.343 0.476 512 HD13 LEU 71 3HD1 LEU 71 -10.239 -10.199 1.457 513 HD21 LEU 71 3HD2 LEU 71 -8.952 -11.012 -1.220 514 HD22 LEU 71 1HD2 LEU 71 -10.397 -11.560 -2.071 515 HD23 LEU 71 2HD2 LEU 71 -10.109 -12.065 -0.405 516 H THR 72 H THR 72 -14.943 -10.154 1.788 517 HA THR 72 HA THR 72 -16.939 -10.030 -0.335 518 HB THR 72 HB THR 72 -17.117 -11.057 2.508 519 HG1 THR 72 1HG THR 72 -16.595 -12.934 1.651 520 HG21 THR 72 3HG2 THR 72 -19.296 -10.283 1.830 521 HG22 THR 72 1HG2 THR 72 -19.282 -12.044 1.741 522 HG23 THR 72 2HG2 THR 72 -19.147 -11.084 0.267 523 H HIS 73 H HIS 73 -16.217 -8.626 2.813 524 HA HIS 73 HA HIS 73 -18.552 -7.116 3.152 525 HB2 HIS 73 2HB HIS 73 -16.940 -7.517 4.956 526 HB3 HIS 73 1HB HIS 73 -15.742 -6.538 4.117 527 HD1 HIS 73 1HD HIS 73 -15.843 -4.038 4.451 528 HD2 HIS 73 2HD HIS 73 -19.131 -6.016 6.046 529 HE1 HIS 73 1HE HIS 73 -17.078 -2.312 5.799 530 HE2 HIS 73 2HE HIS 73 -18.997 -3.562 6.850 531 H TYR 74 H TYR 74 -15.511 -6.408 1.497 532 HA TYR 74 HA TYR 74 -16.508 -3.779 0.708 533 HB2 TYR 74 2HB TYR 74 -13.839 -5.138 0.321 534 HB3 TYR 74 1HB TYR 74 -14.228 -3.562 -0.359 535 HD1 TYR 74 1HD TYR 74 -13.529 -5.423 2.718 536 HD2 TYR 74 2HD TYR 74 -14.411 -1.604 1.062 537 HE1 TYR 74 1HE TYR 74 -12.849 -4.356 4.828 538 HE2 TYR 74 2HE TYR 74 -13.732 -0.529 3.165 539 HH TYR 74 HH TYR 74 -12.097 -2.228 5.655 540 H ASN 75 H ASN 75 -17.345 -6.596 -0.283 541 HA ASN 75 HA ASN 75 -18.073 -7.560 -2.204 542 HB2 ASN 75 2HB ASN 75 -18.142 -4.652 -2.994 543 HB3 ASN 75 1HB ASN 75 -18.774 -5.941 -4.016 544 HD21 ASN 75 1HD2 ASN 75 -20.622 -7.043 -3.395 545 HD22 ASN 75 2HD2 ASN 75 -21.679 -6.449 -2.165 546 H ILE 76 H ILE 76 -15.154 -7.142 -1.837 547 HA ILE 76 HA ILE 76 -13.888 -6.534 -4.264 548 HB ILE 76 HB ILE 76 -12.929 -8.510 -2.191 549 HG12 ILE 76 2HG1 ILE 76 -13.521 -6.418 -1.108 550 HG13 ILE 76 1HG1 ILE 76 -11.774 -6.584 -1.165 551 HG21 ILE 76 1HG2 ILE 76 -11.536 -8.724 -4.046 552 HG22 ILE 76 2HG2 ILE 76 -10.680 -7.591 -2.999 553 HG23 ILE 76 3HG2 ILE 76 -11.577 -6.997 -4.394 554 HD11 ILE 76 3HD1 ILE 76 -11.637 -5.010 -2.978 555 HD12 ILE 76 1HD1 ILE 76 -12.560 -4.302 -1.654 556 HD13 ILE 76 2HD1 ILE 76 -13.396 -4.921 -3.078 557 H THR 77 H THR 77 -13.962 -7.546 -6.156 558 HA THR 77 HA THR 77 -14.158 -10.466 -6.223 559 HB THR 77 HB THR 77 -15.816 -10.326 -8.092 560 HG1 THR 77 1HG THR 77 -15.393 -8.022 -8.482 561 HG21 THR 77 3HG2 THR 77 -16.719 -9.191 -5.444 562 HG22 THR 77 1HG2 THR 77 -16.537 -10.901 -5.834 563 HG23 THR 77 2HG2 THR 77 -17.763 -9.935 -6.655 564 H GLY 78 H GLY 78 -11.796 -9.487 -6.638 565 HA2 GLY 78 2HA GLY 78 -10.827 -10.344 -8.984 566 HA3 GLY 78 1HA GLY 78 -11.393 -8.739 -9.418 567 H ASN 79 H ASN 79 -9.822 -9.873 -6.435 568 HA ASN 79 HA ASN 79 -8.022 -9.062 -5.295 569 HB2 ASN 79 2HB ASN 79 -6.872 -8.721 -8.065 570 HB3 ASN 79 1HB ASN 79 -5.971 -8.919 -6.567 571 HD21 ASN 79 1HD2 ASN 79 -5.823 -10.517 -8.955 572 HD22 ASN 79 2HD2 ASN 79 -6.253 -12.128 -8.506 573 H THR 80 H THR 80 -9.976 -7.207 -5.641 574 HA THR 80 HA THR 80 -9.147 -4.755 -6.788 575 HB THR 80 HB THR 80 -11.226 -5.327 -4.666 576 HG1 THR 80 1HG THR 80 -11.778 -6.358 -6.559 577 HG21 THR 80 3HG2 THR 80 -12.230 -3.189 -5.310 578 HG22 THR 80 1HG2 THR 80 -10.879 -2.880 -6.398 579 HG23 THR 80 2HG2 THR 80 -10.607 -2.964 -4.660 580 H ILE 81 H ILE 81 -8.553 -2.824 -5.784 581 HA ILE 81 HA ILE 81 -7.350 -3.048 -3.100 582 HB ILE 81 HB ILE 81 -6.426 -1.396 -5.458 583 HG12 ILE 81 2HG1 ILE 81 -5.091 -3.637 -3.927 584 HG13 ILE 81 1HG1 ILE 81 -5.769 -3.758 -5.547 585 HG21 ILE 81 1HG2 ILE 81 -6.240 -0.131 -3.370 586 HG22 ILE 81 2HG2 ILE 81 -4.655 -0.556 -4.016 587 HG23 ILE 81 3HG2 ILE 81 -5.322 -1.455 -2.651 588 HD11 ILE 81 3HD1 ILE 81 -3.388 -2.146 -4.681 589 HD12 ILE 81 1HD1 ILE 81 -4.125 -2.043 -6.281 590 HD13 ILE 81 2HD1 ILE 81 -3.409 -3.561 -5.734 591 H CYS 82 H CYS 82 -8.487 -1.880 -1.660 592 HA CYS 82 HA CYS 82 -10.066 0.358 -2.700 593 HB2 CYS 82 2HB CYS 82 -10.381 -1.235 -0.168 594 HB3 CYS 82 1HB CYS 82 -11.385 0.144 -0.605 595 HG CYS 82 HG CYS 82 -13.071 -1.158 -2.034 596 H LEU 83 H LEU 83 -9.716 2.370 -2.156 597 HA LEU 83 HA LEU 83 -7.771 2.958 -0.039 598 HB2 LEU 83 2HB LEU 83 -6.927 3.929 -1.961 599 HB3 LEU 83 1HB LEU 83 -8.511 4.293 -2.603 600 HG LEU 83 HG LEU 83 -8.742 6.210 -1.186 601 HD11 LEU 83 1HD1 LEU 83 -7.317 6.835 0.553 602 HD12 LEU 83 2HD1 LEU 83 -6.059 5.703 0.051 603 HD13 LEU 83 3HD1 LEU 83 -7.546 5.101 0.782 604 HD21 LEU 83 3HD2 LEU 83 -7.458 6.556 -3.210 605 HD22 LEU 83 1HD2 LEU 83 -5.975 6.103 -2.372 606 HD23 LEU 83 2HD2 LEU 83 -6.834 7.572 -1.911 607 H PHE 84 H PHE 84 -8.930 3.189 1.800 608 HA PHE 84 HA PHE 84 -11.433 4.690 1.740 609 HB2 PHE 84 2HB PHE 84 -10.917 2.419 3.011 610 HB3 PHE 84 1HB PHE 84 -10.341 3.521 4.257 611 HD1 PHE 84 2HD PHE 84 -11.974 5.403 4.965 612 HD2 PHE 84 1HD PHE 84 -13.155 1.875 2.901 613 HE1 PHE 84 2HE PHE 84 -14.286 5.723 5.744 614 HE2 PHE 84 1HE PHE 84 -15.467 2.188 3.676 615 HZ PHE 84 HZ PHE 84 -16.035 4.115 5.102 616 H ARG 85 H ARG 85 -11.439 6.799 2.162 617 HA ARG 85 HA ARG 85 -9.162 7.947 3.632 618 HB2 ARG 85 2HB ARG 85 -11.087 9.779 2.350 619 HB3 ARG 85 1HB ARG 85 -9.330 9.814 2.364 620 HG2 ARG 85 2HG ARG 85 -9.274 8.070 0.657 621 HG3 ARG 85 1HG ARG 85 -11.046 8.049 0.632 622 HD2 ARG 85 2HD ARG 85 -9.209 10.291 -0.187 623 HD3 ARG 85 1HD ARG 85 -10.339 9.389 -1.200 624 HE ARG 85 HE ARG 85 -11.686 10.718 0.921 625 HH11 ARG 85 1HH1 ARG 85 -10.199 11.239 -2.185 626 HH12 ARG 85 2HH1 ARG 85 -11.148 12.640 -2.550 627 HH21 ARG 85 1HH2 ARG 85 -12.941 12.565 0.451 628 HH22 ARG 85 2HH2 ARG 85 -12.709 13.394 -1.052 629 H LEU 86 H LEU 86 -10.006 7.264 5.657 630 HA LEU 86 HA LEU 86 -12.235 7.392 6.987 631 HB2 LEU 86 2HB LEU 86 -10.473 6.991 8.370 632 HB3 LEU 86 1HB LEU 86 -9.530 8.326 7.741 633 HG LEU 86 HG LEU 86 -11.040 9.885 9.012 634 HD11 LEU 86 1HD1 LEU 86 -12.942 8.364 9.269 635 HD12 LEU 86 2HD1 LEU 86 -12.370 8.964 10.827 636 HD13 LEU 86 3HD1 LEU 86 -11.967 7.326 10.311 637 HD21 LEU 86 3HD2 LEU 86 -9.450 7.848 10.560 638 HD22 LEU 86 1HD2 LEU 86 -9.984 9.407 11.188 639 HD23 LEU 86 2HD2 LEU 86 -8.845 9.342 9.841 640 H VAL 87 H VAL 87 -10.413 10.445 6.660 641 HA VAL 87 HA VAL 87 -12.032 12.224 7.849 642 HB VAL 87 HB VAL 87 -11.471 13.711 5.672 643 HG11 VAL 87 1HG1 VAL 87 -9.362 14.291 6.816 644 HG12 VAL 87 2HG1 VAL 87 -9.558 12.874 7.848 645 HG13 VAL 87 3HG1 VAL 87 -10.730 14.188 7.924 646 HG21 VAL 87 3HG2 VAL 87 -9.495 11.434 5.672 647 HG22 VAL 87 1HG2 VAL 87 -9.285 12.952 4.798 648 HG23 VAL 87 2HG2 VAL 87 -10.609 11.868 4.373 649 H ASP 88 H ASP 88 -12.407 11.529 4.366 650 HA ASP 88 HA ASP 88 -15.124 12.570 4.517 651 HB2 ASP 88 2HB ASP 88 -13.308 11.907 2.203 652 HB3 ASP 88 1HB ASP 88 -15.004 12.342 1.989 653 H ASN 89 H ASN 89 -13.733 9.733 5.079 654 HA ASN 89 HA ASN 89 -14.336 7.548 5.050 655 HB2 ASN 89 2HB ASN 89 -16.200 8.585 6.330 656 HB3 ASN 89 1HB ASN 89 -17.134 8.658 4.843 657 HD21 ASN 89 1HD2 ASN 89 -15.788 6.603 7.295 658 HD22 ASN 89 2HD2 ASN 89 -16.698 5.188 6.898 659 H GLU 90 H GLU 90 -13.730 8.722 2.476 660 HA GLU 90 HA GLU 90 -15.592 7.635 0.568 661 HB2 GLU 90 2HB GLU 90 -12.778 8.638 0.116 662 HB3 GLU 90 1HB GLU 90 -13.992 8.353 -1.121 663 HG2 GLU 90 2HG GLU 90 -14.231 10.368 1.088 664 HG3 GLU 90 1HG GLU 90 -13.702 10.726 -0.553 665 H GLN 91 H GLN 91 -15.012 5.998 -1.018 666 HA GLN 91 HA GLN 91 -12.900 4.158 -0.183 667 HB2 GLN 91 2HB GLN 91 -15.098 3.467 0.850 668 HB3 GLN 91 1HB GLN 91 -15.699 3.200 -0.781 669 HG2 GLN 91 2HG GLN 91 -13.209 1.856 0.188 670 HG3 GLN 91 1HG GLN 91 -14.806 1.197 0.546 671 HE21 GLN 91 1HE2 GLN 91 -16.097 0.452 -1.164 672 HE22 GLN 91 2HE2 GLN 91 -15.415 0.038 -2.697 673 H LEU 92 H LEU 92 -11.673 4.433 -1.963 674 HA LEU 92 HA LEU 92 -12.860 4.351 -4.612 675 HB2 LEU 92 2HB LEU 92 -9.965 4.566 -3.780 676 HB3 LEU 92 1HB LEU 92 -10.567 4.724 -5.415 677 HG LEU 92 HG LEU 92 -10.113 6.916 -4.636 678 HD11 LEU 92 1HD1 LEU 92 -13.075 6.419 -4.445 679 HD12 LEU 92 2HD1 LEU 92 -12.158 6.761 -5.912 680 HD13 LEU 92 3HD1 LEU 92 -12.315 7.994 -4.660 681 HD21 LEU 92 3HD2 LEU 92 -11.865 6.417 -2.240 682 HD22 LEU 92 1HD2 LEU 92 -10.896 7.848 -2.586 683 HD23 LEU 92 2HD2 LEU 92 -10.106 6.316 -2.217 684 H ASN 93 H ASN 93 -13.408 2.375 -5.326 685 HA ASN 93 HA ASN 93 -11.825 0.088 -4.497 686 HB2 ASN 93 2HB ASN 93 -13.652 -1.162 -5.842 687 HB3 ASN 93 1HB ASN 93 -14.092 -0.409 -4.313 688 HD21 ASN 93 1HD2 ASN 93 -15.364 1.442 -4.317 689 HD22 ASN 93 2HD2 ASN 93 -16.266 1.932 -5.708 690 H LEU 94 H LEU 94 -9.951 0.151 -5.632 691 HA LEU 94 HA LEU 94 -9.900 0.397 -8.506 692 HB2 LEU 94 2HB LEU 94 -8.065 1.054 -6.780 693 HB3 LEU 94 1HB LEU 94 -7.657 -0.651 -6.787 694 HG LEU 94 HG LEU 94 -7.777 0.731 -9.413 695 HD11 LEU 94 1HD1 LEU 94 -5.456 1.511 -9.131 696 HD12 LEU 94 2HD1 LEU 94 -5.540 1.087 -7.420 697 HD13 LEU 94 3HD1 LEU 94 -6.582 2.356 -8.066 698 HD21 LEU 94 3HD2 LEU 94 -5.924 -0.785 -9.874 699 HD22 LEU 94 1HD2 LEU 94 -7.316 -1.661 -9.240 700 HD23 LEU 94 2HD2 LEU 94 -5.937 -1.323 -8.193 701 H GLU 95 H GLU 95 -11.447 -1.312 -8.887 702 HA GLU 95 HA GLU 95 -10.852 -4.009 -8.112 703 HB2 GLU 95 2HB GLU 95 -12.918 -3.068 -10.090 704 HB3 GLU 95 1HB GLU 95 -12.885 -4.600 -9.226 705 HG2 GLU 95 2HG GLU 95 -13.299 -3.508 -7.143 706 HG3 GLU 95 1HG GLU 95 -13.146 -1.919 -7.893 707 H ASP 96 H ASP 96 -11.664 -5.464 -10.258 708 HA ASP 96 HA ASP 96 -9.383 -6.182 -11.559 709 HB2 ASP 96 2HB ASP 96 -11.165 -6.905 -13.428 710 HB3 ASP 96 1HB ASP 96 -10.990 -7.754 -11.894 711 H GLU 97 H GLU 97 -11.871 -4.005 -12.888 712 HA GLU 97 HA GLU 97 -10.828 -3.498 -15.369 713 HB2 GLU 97 2HB GLU 97 -12.961 -2.579 -14.571 714 HB3 GLU 97 1HB GLU 97 -12.097 -1.484 -13.500 715 HG2 GLU 97 2HG GLU 97 -11.061 -0.430 -15.485 716 HG3 GLU 97 1HG GLU 97 -12.047 -1.471 -16.509 717 H ASP 98 H ASP 98 -9.433 -2.734 -12.368 718 HA ASP 98 HA ASP 98 -7.387 -1.090 -13.687 719 HB2 ASP 98 2HB ASP 98 -8.411 -0.782 -10.852 720 HB3 ASP 98 1HB ASP 98 -7.139 0.181 -11.605 721 H ILE 99 H ILE 99 -8.073 -3.887 -11.896 722 HA ILE 99 HA ILE 99 -5.403 -4.118 -10.743 723 HB ILE 99 HB ILE 99 -7.835 -5.894 -10.553 724 HG12 ILE 99 2HG1 ILE 99 -7.813 -3.739 -9.295 725 HG13 ILE 99 1HG1 ILE 99 -7.955 -5.165 -8.278 726 HG21 ILE 99 1HG2 ILE 99 -6.523 -7.141 -8.823 727 HG22 ILE 99 2HG2 ILE 99 -5.082 -6.305 -9.399 728 HG23 ILE 99 3HG2 ILE 99 -5.971 -7.377 -10.482 729 HD11 ILE 99 3HD1 ILE 99 -5.544 -4.996 -7.782 730 HD12 ILE 99 1HD1 ILE 99 -6.465 -3.584 -7.264 731 HD13 ILE 99 2HD1 ILE 99 -5.484 -3.507 -8.729 732 H GLU 100 H GLU 100 -7.462 -5.840 -13.077 733 HA GLU 100 HA GLU 100 -5.818 -7.918 -13.785 734 HB2 GLU 100 2HB GLU 100 -8.102 -7.576 -14.661 735 HB3 GLU 100 1HB GLU 100 -7.510 -6.261 -15.667 736 HG2 GLU 100 2HG GLU 100 -7.798 -8.320 -16.938 737 HG3 GLU 100 1HG GLU 100 -6.113 -7.802 -16.908 738 H SER 101 H SER 101 -5.522 -4.546 -14.607 739 HA SER 101 HA SER 101 -2.936 -5.122 -15.882 740 HB2 SER 101 2HB SER 101 -4.975 -3.084 -16.821 741 HB3 SER 101 1HB SER 101 -3.351 -3.277 -17.482 742 HG SER 101 HG SER 101 -3.917 -5.290 -18.241 743 H ILE 102 H ILE 102 -3.155 -4.572 -13.228 744 HA ILE 102 HA ILE 102 -2.902 -1.768 -12.685 745 HB ILE 102 HB ILE 102 -3.823 -3.301 -11.006 746 HG12 ILE 102 2HG1 ILE 102 -2.353 -2.527 -9.081 747 HG13 ILE 102 1HG1 ILE 102 -1.276 -1.844 -10.292 748 HG21 ILE 102 1HG2 ILE 102 -1.026 -4.443 -10.976 749 HG22 ILE 102 2HG2 ILE 102 -2.518 -5.279 -11.411 750 HG23 ILE 102 3HG2 ILE 102 -2.251 -4.764 -9.746 751 HD11 ILE 102 3HD1 ILE 102 -4.148 -1.088 -9.854 752 HD12 ILE 102 1HD1 ILE 102 -3.090 -0.418 -11.094 753 HD13 ILE 102 2HD1 ILE 102 -2.733 -0.147 -9.388 754 H ASP 103 H ASP 103 -1.094 -0.639 -12.111 755 HA ASP 103 HA ASP 103 1.512 -1.943 -12.285 756 HB2 ASP 103 2HB ASP 103 0.815 0.563 -13.831 757 HB3 ASP 103 1HB ASP 103 2.400 -0.198 -13.750 758 H ALA 104 H ALA 104 3.155 -0.834 -11.104 759 HA ALA 104 HA ALA 104 2.408 0.318 -8.736 760 HB1 ALA 104 1HB ALA 104 4.967 0.766 -10.252 761 HB2 ALA 104 2HB ALA 104 4.633 -0.501 -9.069 762 HB3 ALA 104 3HB ALA 104 4.708 1.185 -8.558 763 H THR 105 H THR 105 3.001 1.906 -11.810 764 HA THR 105 HA THR 105 2.897 4.574 -10.936 765 HB THR 105 HB THR 105 2.033 3.420 -13.595 766 HG1 THR 105 1HG THR 105 4.489 4.630 -12.789 767 HG21 THR 105 3HG2 THR 105 2.594 6.250 -12.734 768 HG22 THR 105 1HG2 THR 105 1.073 5.595 -13.339 769 HG23 THR 105 2HG2 THR 105 2.463 5.736 -14.417 770 H LYS 106 H LYS 106 0.354 2.433 -12.184 771 HA LYS 106 HA LYS 106 -1.772 4.230 -12.034 772 HB2 LYS 106 2HB LYS 106 -1.846 1.226 -11.679 773 HB3 LYS 106 1HB LYS 106 -3.224 2.251 -12.063 774 HG2 LYS 106 2HG LYS 106 -2.256 2.832 -14.190 775 HG3 LYS 106 1HG LYS 106 -0.789 1.930 -13.804 776 HD2 LYS 106 2HD LYS 106 -2.061 0.509 -15.200 777 HD3 LYS 106 1HD LYS 106 -2.283 -0.110 -13.563 778 HE2 LYS 106 2HE LYS 106 -4.406 -0.073 -14.727 779 HE3 LYS 106 1HE LYS 106 -4.417 1.104 -13.414 780 HZ1 LYS 106 3HZ LYS 106 -5.387 2.033 -15.409 781 HZ2 LYS 106 1HZ LYS 106 -3.976 1.710 -16.288 782 HZ3 LYS 106 2HZ LYS 106 -3.951 2.846 -15.035 783 H LEU 107 H LEU 107 -1.007 1.620 -9.693 784 HA LEU 107 HA LEU 107 -2.856 2.252 -7.761 785 HB2 LEU 107 2HB LEU 107 -0.694 0.539 -7.929 786 HB3 LEU 107 1HB LEU 107 -0.245 1.601 -6.612 787 HG LEU 107 HG LEU 107 -2.499 -0.361 -6.771 788 HD11 LEU 107 1HD1 LEU 107 -0.564 -1.203 -5.734 789 HD12 LEU 107 2HD1 LEU 107 -1.655 -0.779 -4.415 790 HD13 LEU 107 3HD1 LEU 107 -0.306 0.284 -4.821 791 HD21 LEU 107 3HD2 LEU 107 -3.493 0.630 -4.748 792 HD22 LEU 107 1HD2 LEU 107 -3.623 1.696 -6.147 793 HD23 LEU 107 2HD2 LEU 107 -2.409 2.012 -4.908 794 H SER 108 H SER 108 0.507 3.420 -7.895 795 HA SER 108 HA SER 108 0.357 5.200 -5.751 796 HB2 SER 108 2HB SER 108 2.073 5.369 -8.239 797 HB3 SER 108 1HB SER 108 2.347 6.275 -6.749 798 HG SER 108 HG SER 108 3.538 4.208 -7.075 799 H ARG 109 H ARG 109 -0.688 5.512 -9.057 800 HA ARG 109 HA ARG 109 -0.986 8.336 -9.054 801 HB2 ARG 109 2HB ARG 109 -0.765 6.930 -11.110 802 HB3 ARG 109 1HB ARG 109 -2.370 6.295 -10.799 803 HG2 ARG 109 2HG ARG 109 -1.930 9.238 -11.079 804 HG3 ARG 109 1HG ARG 109 -2.084 8.205 -12.502 805 HD2 ARG 109 2HD ARG 109 -4.232 7.346 -11.467 806 HD3 ARG 109 1HD ARG 109 -4.096 8.676 -10.313 807 HE ARG 109 HE ARG 109 -3.969 10.048 -12.540 808 HH11 ARG 109 1HH1 ARG 109 -6.000 7.309 -11.829 809 HH12 ARG 109 2HH1 ARG 109 -7.272 7.813 -12.891 810 HH21 ARG 109 1HH2 ARG 109 -5.637 10.720 -13.941 811 HH22 ARG 109 2HH2 ARG 109 -7.063 9.749 -14.095 812 H PHE 110 H PHE 110 -3.489 5.808 -9.221 813 HA PHE 110 HA PHE 110 -5.716 7.241 -8.654 814 HB2 PHE 110 2HB PHE 110 -4.921 4.460 -7.834 815 HB3 PHE 110 1HB PHE 110 -6.468 5.131 -7.322 816 HD1 PHE 110 2HD PHE 110 -4.423 4.455 -10.353 817 HD2 PHE 110 1HD PHE 110 -8.311 5.028 -8.719 818 HE1 PHE 110 2HE PHE 110 -5.420 3.812 -12.508 819 HE2 PHE 110 1HE PHE 110 -9.313 4.385 -10.872 820 HZ PHE 110 HZ PHE 110 -7.869 3.778 -12.771 821 H ILE 111 H ILE 111 -3.397 5.976 -6.289 822 HA ILE 111 HA ILE 111 -4.704 6.914 -3.982 823 HB ILE 111 HB ILE 111 -1.762 6.434 -4.496 824 HG12 ILE 111 2HG1 ILE 111 -3.753 4.774 -2.944 825 HG13 ILE 111 1HG1 ILE 111 -3.371 4.498 -4.635 826 HG21 ILE 111 1HG2 ILE 111 -1.506 6.427 -2.057 827 HG22 ILE 111 2HG2 ILE 111 -3.190 6.923 -1.885 828 HG23 ILE 111 3HG2 ILE 111 -2.024 8.002 -2.658 829 HD11 ILE 111 3HD1 ILE 111 -1.441 4.339 -2.338 830 HD12 ILE 111 1HD1 ILE 111 -1.039 4.085 -4.036 831 HD13 ILE 111 2HD1 ILE 111 -2.141 2.979 -3.215 832 H GLU 112 H GLU 112 -1.989 8.304 -5.811 833 HA GLU 112 HA GLU 112 -1.759 10.710 -4.448 834 HB2 GLU 112 2HB GLU 112 -0.210 9.796 -6.224 835 HB3 GLU 112 1HB GLU 112 -1.374 10.357 -7.423 836 HG2 GLU 112 2HG GLU 112 0.376 11.973 -7.226 837 HG3 GLU 112 1HG GLU 112 -1.104 12.649 -6.545 838 H ILE 113 H ILE 113 -4.236 9.579 -6.469 839 HA ILE 113 HA ILE 113 -5.226 12.218 -7.166 840 HB ILE 113 HB ILE 113 -5.722 9.461 -8.074 841 HG12 ILE 113 2HG1 ILE 113 -5.863 10.560 -10.248 842 HG13 ILE 113 1HG1 ILE 113 -5.886 12.138 -9.469 843 HG21 ILE 113 1HG2 ILE 113 -7.950 11.479 -8.167 844 HG22 ILE 113 2HG2 ILE 113 -7.938 9.980 -7.241 845 HG23 ILE 113 3HG2 ILE 113 -7.919 9.926 -9.000 846 HD11 ILE 113 3HD1 ILE 113 -3.627 11.778 -8.649 847 HD12 ILE 113 1HD1 ILE 113 -3.699 11.611 -10.403 848 HD13 ILE 113 2HD1 ILE 113 -3.607 10.175 -9.383 849 H ASN 114 H ASN 114 -6.070 9.518 -5.036 850 HA ASN 114 HA ASN 114 -8.223 11.198 -3.927 851 HB2 ASN 114 2HB ASN 114 -8.098 8.181 -4.020 852 HB3 ASN 114 1HB ASN 114 -9.352 9.121 -3.215 853 HD21 ASN 114 1HD2 ASN 114 -8.244 7.802 -6.144 854 HD22 ASN 114 2HD2 ASN 114 -9.501 8.404 -7.164 855 H SER 115 H SER 115 -5.329 11.003 -3.169 856 HA SER 115 HA SER 115 -5.326 9.729 -0.591 857 HB2 SER 115 2HB SER 115 -3.073 10.695 -0.361 858 HB3 SER 115 1HB SER 115 -3.264 9.898 -1.924 859 HG SER 115 HG SER 115 -3.989 12.515 -2.020 860 H LEU 116 H LEU 116 -7.460 11.398 -0.646 861 HA LEU 116 HA LEU 116 -6.683 13.821 0.794 862 HB2 LEU 116 2HB LEU 116 -9.399 13.030 -0.239 863 HB3 LEU 116 1HB LEU 116 -8.926 14.603 0.377 864 HG LEU 116 HG LEU 116 -7.900 13.321 -2.157 865 HD11 LEU 116 1HD1 LEU 116 -10.209 14.043 -2.360 866 HD12 LEU 116 2HD1 LEU 116 -9.146 15.105 -3.282 867 HD13 LEU 116 3HD1 LEU 116 -9.785 15.633 -1.726 868 HD21 LEU 116 3HD2 LEU 116 -6.200 14.716 -1.125 869 HD22 LEU 116 1HD2 LEU 116 -7.355 16.038 -0.965 870 HD23 LEU 116 2HD2 LEU 116 -6.845 15.501 -2.566 Start of MODEL 28 1 H GLU 1 H GLU 1 20.130 -7.110 -10.548 2 HA GLU 1 HA GLU 1 21.930 -6.677 -8.404 3 HB2 GLU 1 2HB GLU 1 22.905 -8.685 -10.443 4 HB3 GLU 1 1HB GLU 1 23.954 -7.839 -9.314 5 HG2 GLU 1 2HG GLU 1 22.720 -8.843 -7.443 6 HG3 GLU 1 1HG GLU 1 21.720 -9.723 -8.597 7 H VAL 2 H VAL 2 20.549 -5.764 -11.059 8 HA VAL 2 HA VAL 2 22.775 -4.477 -12.408 9 HB VAL 2 HB VAL 2 20.919 -5.374 -13.745 10 HG11 VAL 2 1HG1 VAL 2 19.256 -3.260 -12.378 11 HG12 VAL 2 2HG1 VAL 2 19.096 -5.005 -12.178 12 HG13 VAL 2 3HG1 VAL 2 18.734 -4.260 -13.735 13 HG21 VAL 2 3HG2 VAL 2 20.558 -3.401 -15.160 14 HG22 VAL 2 1HG2 VAL 2 22.237 -3.534 -14.639 15 HG23 VAL 2 2HG2 VAL 2 21.164 -2.371 -13.865 16 H GLU 3 H GLU 3 23.229 -2.316 -12.398 17 HA GLU 3 HA GLU 3 23.383 -0.192 -11.615 18 HB2 GLU 3 2HB GLU 3 20.414 -0.565 -11.193 19 HB3 GLU 3 1HB GLU 3 21.251 0.973 -11.035 20 HG2 GLU 3 2HG GLU 3 21.062 -0.688 -13.538 21 HG3 GLU 3 1HG GLU 3 20.143 0.775 -13.189 22 H LYS 4 H LYS 4 20.765 -1.030 -9.401 23 HA LYS 4 HA LYS 4 22.468 -0.330 -7.152 24 HB2 LYS 4 2HB LYS 4 19.533 -1.048 -7.267 25 HB3 LYS 4 1HB LYS 4 20.384 -0.499 -5.830 26 HG2 LYS 4 2HG LYS 4 20.504 1.227 -8.238 27 HG3 LYS 4 1HG LYS 4 18.976 1.140 -7.361 28 HD2 LYS 4 2HD LYS 4 20.142 2.962 -6.424 29 HD3 LYS 4 1HD LYS 4 20.316 1.643 -5.265 30 HE2 LYS 4 2HE LYS 4 22.424 2.846 -5.593 31 HE3 LYS 4 1HE LYS 4 22.542 1.166 -6.113 32 HZ1 LYS 4 3HZ LYS 4 23.583 2.661 -7.697 33 HZ2 LYS 4 1HZ LYS 4 22.128 3.499 -7.904 34 HZ3 LYS 4 2HZ LYS 4 22.254 1.887 -8.399 35 H SER 5 H SER 5 21.640 -1.780 -5.088 36 HA SER 5 HA SER 5 22.808 -4.373 -5.613 37 HB2 SER 5 2HB SER 5 21.809 -3.136 -3.035 38 HB3 SER 5 1HB SER 5 22.695 -4.656 -3.157 39 HG SER 5 HG SER 5 24.449 -3.521 -3.165 40 H SER 6 H SER 6 21.539 -5.965 -3.730 41 HA SER 6 HA SER 6 19.339 -6.942 -5.201 42 HB2 SER 6 2HB SER 6 20.718 -8.403 -3.796 43 HB3 SER 6 1HB SER 6 20.168 -7.553 -2.352 44 HG SER 6 HG SER 6 18.082 -8.303 -2.758 45 H ASP 7 H ASP 7 19.358 -5.588 -1.893 46 HA ASP 7 HA ASP 7 16.885 -4.171 -2.461 47 HB2 ASP 7 2HB ASP 7 16.027 -6.304 -1.713 48 HB3 ASP 7 1HB ASP 7 17.085 -6.280 -0.305 49 H GLY 8 H GLY 8 19.481 -4.936 -0.204 50 HA2 GLY 8 2HA GLY 8 20.780 -3.276 0.874 51 HA3 GLY 8 1HA GLY 8 19.462 -2.137 0.656 52 HA PRO 9 HA PRO 9 19.603 -3.429 5.151 53 HB2 PRO 9 2HB PRO 9 18.628 -0.635 5.383 54 HB3 PRO 9 1HB PRO 9 19.889 -1.468 6.300 55 HG2 PRO 9 2HG PRO 9 20.515 0.354 4.455 56 HG3 PRO 9 1HG PRO 9 21.497 -1.108 4.670 57 HD2 PRO 9 2HD PRO 9 19.471 -0.475 2.562 58 HD3 PRO 9 1HD PRO 9 21.028 -1.316 2.414 59 H GLY 10 H GLY 10 17.878 -4.083 6.359 60 HA2 GLY 10 2HA GLY 10 15.315 -4.152 5.088 61 HA3 GLY 10 1HA GLY 10 15.712 -4.813 6.667 62 H ALA 11 H ALA 11 14.025 -2.433 5.027 63 HA ALA 11 HA ALA 11 13.141 -1.234 7.497 64 HB1 ALA 11 1HB ALA 11 13.679 1.070 6.860 65 HB2 ALA 11 2HB ALA 11 14.549 0.472 5.447 66 HB3 ALA 11 3HB ALA 11 15.138 0.099 7.068 67 H ALA 12 H ALA 12 13.004 -1.690 4.088 68 HA ALA 12 HA ALA 12 10.905 -0.069 3.313 69 HB1 ALA 12 1HB ALA 12 11.549 -2.853 2.358 70 HB2 ALA 12 2HB ALA 12 12.233 -1.351 1.742 71 HB3 ALA 12 3HB ALA 12 10.517 -1.693 1.520 72 H GLN 13 H GLN 13 9.321 0.106 4.846 73 HA GLN 13 HA GLN 13 8.012 -1.838 6.275 74 HB2 GLN 13 2HB GLN 13 6.069 -0.247 6.279 75 HB3 GLN 13 1HB GLN 13 7.609 0.472 6.732 76 HG2 GLN 13 2HG GLN 13 7.846 1.358 4.456 77 HG3 GLN 13 1HG GLN 13 6.278 0.667 4.040 78 HE21 GLN 13 1HE2 GLN 13 6.972 2.085 7.153 79 HE22 GLN 13 2HE2 GLN 13 5.960 3.474 6.966 80 H GLU 14 H GLU 14 5.948 -2.860 6.027 81 HA GLU 14 HA GLU 14 5.156 -3.321 3.223 82 HB2 GLU 14 2HB GLU 14 4.788 -5.642 3.684 83 HB3 GLU 14 1HB GLU 14 6.406 -5.246 4.246 84 HG2 GLU 14 2HG GLU 14 5.578 -5.102 6.537 85 HG3 GLU 14 1HG GLU 14 3.953 -5.491 5.972 86 HA PRO 15 HA PRO 15 1.027 -2.320 4.372 87 HB2 PRO 15 2HB PRO 15 -0.459 -4.188 3.039 88 HB3 PRO 15 1HB PRO 15 0.293 -2.789 2.265 89 HG2 PRO 15 2HG PRO 15 1.219 -5.625 2.376 90 HG3 PRO 15 1HG PRO 15 1.267 -4.478 1.027 91 HD2 PRO 15 2HD PRO 15 3.441 -5.056 2.533 92 HD3 PRO 15 1HD PRO 15 3.185 -3.465 1.790 93 H THR 16 H THR 16 -0.437 -2.714 5.939 94 HA THR 16 HA THR 16 0.065 -4.665 7.887 95 HB THR 16 HB THR 16 -2.515 -3.145 7.463 96 HG1 THR 16 1HG THR 16 -0.459 -2.379 9.243 97 HG21 THR 16 3HG2 THR 16 -1.314 -4.476 9.892 98 HG22 THR 16 1HG2 THR 16 -2.793 -4.941 9.049 99 HG23 THR 16 2HG2 THR 16 -2.722 -3.412 9.927 100 H TRP 17 H TRP 17 -1.135 -6.465 8.565 101 HA TRP 17 HA TRP 17 -2.387 -7.928 6.368 102 HB2 TRP 17 2HB TRP 17 -1.438 -8.830 9.094 103 HB3 TRP 17 1HB TRP 17 -2.148 -9.892 7.882 104 HD1 TRP 17 HD TRP 17 0.929 -7.554 8.247 105 HE1 TRP 17 1HE TRP 17 2.859 -8.571 6.882 106 HE3 TRP 17 3HE TRP 17 -1.538 -11.536 6.197 107 HZ2 TRP 17 2HZ TRP 17 3.282 -10.772 5.163 108 HZ3 TRP 17 3HZ TRP 17 -0.298 -13.051 4.706 109 HH2 TRP 17 HH TRP 17 2.061 -12.675 4.200 110 H LEU 18 H LEU 18 -4.452 -7.043 6.288 111 HA LEU 18 HA LEU 18 -6.099 -7.011 8.691 112 HB2 LEU 18 2HB LEU 18 -6.830 -6.311 5.846 113 HB3 LEU 18 1HB LEU 18 -7.775 -5.961 7.283 114 HG LEU 18 HG LEU 18 -5.058 -4.798 6.667 115 HD11 LEU 18 1HD1 LEU 18 -7.812 -3.604 6.478 116 HD12 LEU 18 2HD1 LEU 18 -6.695 -3.912 5.150 117 HD13 LEU 18 3HD1 LEU 18 -6.308 -2.692 6.363 118 HD21 LEU 18 3HD2 LEU 18 -6.991 -4.335 8.927 119 HD22 LEU 18 1HD2 LEU 18 -5.637 -3.269 8.557 120 HD23 LEU 18 2HD2 LEU 18 -5.339 -4.942 9.029 121 H THR 19 H THR 19 -5.976 -9.343 8.980 122 HA THR 19 HA THR 19 -7.153 -11.096 7.039 123 HB THR 19 HB THR 19 -6.876 -12.850 8.709 124 HG1 THR 19 1HG THR 19 -7.008 -12.268 10.735 125 HG21 THR 19 3HG2 THR 19 -4.914 -12.185 7.408 126 HG22 THR 19 1HG2 THR 19 -4.449 -12.688 9.032 127 HG23 THR 19 2HG2 THR 19 -4.510 -10.974 8.622 128 H ASP 20 H ASP 20 -8.539 -8.906 9.098 129 HA ASP 20 HA ASP 20 -11.073 -10.361 9.007 130 HB2 ASP 20 2HB ASP 20 -9.908 -9.130 11.509 131 HB3 ASP 20 1HB ASP 20 -11.581 -9.659 11.354 132 H VAL 21 H VAL 21 -12.913 -9.095 8.948 133 HA VAL 21 HA VAL 21 -12.755 -6.657 7.632 134 HB VAL 21 HB VAL 21 -15.085 -7.544 9.335 135 HG11 VAL 21 1HG1 VAL 21 -14.929 -5.780 6.895 136 HG12 VAL 21 2HG1 VAL 21 -15.244 -5.252 8.548 137 HG13 VAL 21 3HG1 VAL 21 -16.413 -6.274 7.710 138 HG21 VAL 21 3HG2 VAL 21 -15.929 -8.655 7.311 139 HG22 VAL 21 1HG2 VAL 21 -14.419 -9.367 7.876 140 HG23 VAL 21 2HG2 VAL 21 -14.416 -8.280 6.488 141 HA PRO 22 HA PRO 22 -13.750 -4.500 11.930 142 HB2 PRO 22 2HB PRO 22 -12.563 -5.828 14.045 143 HB3 PRO 22 1HB PRO 22 -14.281 -5.902 13.646 144 HG2 PRO 22 2HG PRO 22 -12.094 -7.826 12.973 145 HG3 PRO 22 1HG PRO 22 -13.758 -8.157 13.498 146 HD2 PRO 22 2HD PRO 22 -13.049 -8.387 10.934 147 HD3 PRO 22 1HD PRO 22 -14.637 -7.736 11.386 148 H ALA 23 H ALA 23 -10.802 -6.505 11.805 149 HA ALA 23 HA ALA 23 -9.073 -4.532 12.827 150 HB1 ALA 23 1HB ALA 23 -8.583 -7.000 12.651 151 HB2 ALA 23 2HB ALA 23 -7.274 -5.931 12.146 152 HB3 ALA 23 3HB ALA 23 -8.273 -6.736 10.934 153 H ALA 24 H ALA 24 -10.241 -5.276 9.647 154 HA ALA 24 HA ALA 24 -8.451 -3.685 8.151 155 HB1 ALA 24 1HB ALA 24 -11.293 -4.512 7.534 156 HB2 ALA 24 2HB ALA 24 -9.826 -5.376 7.079 157 HB3 ALA 24 3HB ALA 24 -10.173 -3.793 6.378 158 H MET 25 H MET 25 -11.824 -3.045 9.096 159 HA MET 25 HA MET 25 -11.876 -0.354 8.335 160 HB2 MET 25 2HB MET 25 -13.522 -1.619 10.526 161 HB3 MET 25 1HB MET 25 -13.929 -0.192 9.582 162 HG2 MET 25 2HG MET 25 -13.958 -1.649 7.554 163 HG3 MET 25 1HG MET 25 -13.779 -3.036 8.624 164 HE1 MET 25 3HE MET 25 -15.576 -3.711 10.478 165 HE2 MET 25 1HE MET 25 -17.074 -2.821 10.754 166 HE3 MET 25 2HE MET 25 -15.522 -2.078 11.144 167 H GLU 26 H GLU 26 -10.631 -1.904 11.193 168 HA GLU 26 HA GLU 26 -10.634 0.421 12.847 169 HB2 GLU 26 2HB GLU 26 -9.319 -2.264 12.991 170 HB3 GLU 26 1HB GLU 26 -8.775 -0.978 14.062 171 HG2 GLU 26 2HG GLU 26 -11.191 -0.713 14.751 172 HG3 GLU 26 1HG GLU 26 -11.498 -2.223 13.893 173 H PHE 27 H PHE 27 -8.075 -1.242 11.009 174 HA PHE 27 HA PHE 27 -6.071 0.639 11.531 175 HB2 PHE 27 2HB PHE 27 -6.477 -1.508 9.523 176 HB3 PHE 27 1HB PHE 27 -5.286 -0.272 9.127 177 HD1 PHE 27 2HD PHE 27 -3.352 0.098 10.621 178 HD2 PHE 27 1HD PHE 27 -6.043 -3.151 11.179 179 HE1 PHE 27 2HE PHE 27 -1.698 -1.020 12.059 180 HE2 PHE 27 1HE PHE 27 -4.395 -4.274 12.621 181 HZ PHE 27 HZ PHE 27 -2.219 -3.209 13.061 182 H ILE 28 H ILE 28 -8.690 0.574 9.241 183 HA ILE 28 HA ILE 28 -7.779 2.796 7.678 184 HB ILE 28 HB ILE 28 -10.426 1.391 7.943 185 HG12 ILE 28 2HG1 ILE 28 -8.674 1.792 5.516 186 HG13 ILE 28 1HG1 ILE 28 -8.474 0.434 6.623 187 HG21 ILE 28 1HG2 ILE 28 -11.018 3.695 7.621 188 HG22 ILE 28 2HG2 ILE 28 -11.261 2.833 6.105 189 HG23 ILE 28 3HG2 ILE 28 -9.845 3.858 6.316 190 HD11 ILE 28 3HD1 ILE 28 -10.585 -0.454 6.055 191 HD12 ILE 28 1HD1 ILE 28 -9.809 -0.004 4.537 192 HD13 ILE 28 2HD1 ILE 28 -11.064 1.028 5.223 193 H ALA 29 H ALA 29 -9.874 2.347 10.459 194 HA ALA 29 HA ALA 29 -10.791 5.046 10.566 195 HB1 ALA 29 1HB ALA 29 -11.661 4.414 12.791 196 HB2 ALA 29 2HB ALA 29 -10.833 2.861 12.651 197 HB3 ALA 29 3HB ALA 29 -12.128 3.277 11.527 198 H ALA 30 H ALA 30 -7.935 3.441 11.514 199 HA ALA 30 HA ALA 30 -7.214 5.441 13.511 200 HB1 ALA 30 1HB ALA 30 -6.689 3.107 13.978 201 HB2 ALA 30 2HB ALA 30 -5.216 4.070 13.857 202 HB3 ALA 30 3HB ALA 30 -5.701 3.027 12.519 203 H THR 31 H THR 31 -7.537 6.139 10.657 204 HA THR 31 HA THR 31 -5.220 7.774 10.384 205 HB THR 31 HB THR 31 -4.229 5.686 9.577 206 HG1 THR 31 1HG THR 31 -4.506 6.956 7.155 207 HG21 THR 31 3HG2 THR 31 -5.216 4.988 7.227 208 HG22 THR 31 1HG2 THR 31 -6.699 5.639 7.920 209 HG23 THR 31 2HG2 THR 31 -5.853 4.319 8.727 210 H GLU 32 H GLU 32 -5.350 9.225 8.580 211 HA GLU 32 HA GLU 32 -8.050 9.944 7.904 212 HB2 GLU 32 2HB GLU 32 -6.066 11.508 8.345 213 HB3 GLU 32 1HB GLU 32 -5.537 11.112 6.715 214 HG2 GLU 32 2HG GLU 32 -7.520 12.039 5.772 215 HG3 GLU 32 1HG GLU 32 -8.237 12.253 7.370 216 H VAL 33 H VAL 33 -5.313 8.492 6.222 217 HA VAL 33 HA VAL 33 -7.117 7.798 4.006 218 HB VAL 33 HB VAL 33 -4.225 8.555 3.601 219 HG11 VAL 33 1HG1 VAL 33 -6.496 8.038 1.683 220 HG12 VAL 33 2HG1 VAL 33 -5.049 7.051 1.914 221 HG13 VAL 33 3HG1 VAL 33 -4.911 8.668 1.220 222 HG21 VAL 33 3HG2 VAL 33 -5.134 10.626 2.555 223 HG22 VAL 33 1HG2 VAL 33 -5.376 10.540 4.301 224 HG23 VAL 33 2HG2 VAL 33 -6.718 10.201 3.206 225 H ALA 34 H ALA 34 -7.067 5.693 3.452 226 HA ALA 34 HA ALA 34 -4.789 4.059 4.310 227 HB1 ALA 34 1HB ALA 34 -6.358 2.305 5.095 228 HB2 ALA 34 2HB ALA 34 -7.683 3.450 4.882 229 HB3 ALA 34 3HB ALA 34 -6.411 3.783 6.057 230 H VAL 35 H VAL 35 -4.085 2.741 2.788 231 HA VAL 35 HA VAL 35 -5.916 2.057 0.587 232 HB VAL 35 HB VAL 35 -2.942 2.537 0.522 233 HG11 VAL 35 1HG1 VAL 35 -4.707 1.334 -1.616 234 HG12 VAL 35 2HG1 VAL 35 -3.376 0.532 -0.781 235 HG13 VAL 35 3HG1 VAL 35 -3.051 1.885 -1.864 236 HG21 VAL 35 3HG2 VAL 35 -4.304 4.513 0.361 237 HG22 VAL 35 1HG2 VAL 35 -5.311 3.760 -0.877 238 HG23 VAL 35 2HG2 VAL 35 -3.625 4.157 -1.230 239 H ILE 36 H ILE 36 -6.317 -0.008 0.254 240 HA ILE 36 HA ILE 36 -4.559 -1.996 1.513 241 HB ILE 36 HB ILE 36 -7.562 -1.912 1.734 242 HG12 ILE 36 2HG1 ILE 36 -5.674 -1.954 4.048 243 HG13 ILE 36 1HG1 ILE 36 -5.913 -0.440 3.183 244 HG21 ILE 36 1HG2 ILE 36 -5.561 -3.987 2.619 245 HG22 ILE 36 2HG2 ILE 36 -6.934 -4.198 1.528 246 HG23 ILE 36 3HG2 ILE 36 -7.209 -3.891 3.243 247 HD11 ILE 36 3HD1 ILE 36 -8.332 -0.648 3.595 248 HD12 ILE 36 1HD1 ILE 36 -7.367 -0.518 5.066 249 HD13 ILE 36 2HD1 ILE 36 -8.005 -2.084 4.563 250 H GLY 37 H GLY 37 -4.212 -3.821 0.415 251 HA2 GLY 37 2HA GLY 37 -5.453 -4.038 -2.229 252 HA3 GLY 37 1HA GLY 37 -3.950 -4.794 -1.742 253 H PHE 38 H PHE 38 -7.390 -5.079 -1.864 254 HA PHE 38 HA PHE 38 -7.518 -7.490 -0.269 255 HB2 PHE 38 2HB PHE 38 -9.611 -6.294 -2.102 256 HB3 PHE 38 1HB PHE 38 -9.875 -7.525 -0.872 257 HD1 PHE 38 2HD PHE 38 -8.591 -4.044 -1.217 258 HD2 PHE 38 1HD PHE 38 -10.643 -6.881 1.197 259 HE1 PHE 38 2HE PHE 38 -9.068 -2.289 0.436 260 HE2 PHE 38 1HE PHE 38 -11.127 -5.127 2.853 261 HZ PHE 38 HZ PHE 38 -10.337 -2.828 2.472 262 H PHE 39 H PHE 39 -6.090 -8.894 -1.303 263 HA PHE 39 HA PHE 39 -6.772 -9.666 -4.056 264 HB2 PHE 39 2HB PHE 39 -4.228 -10.287 -2.561 265 HB3 PHE 39 1HB PHE 39 -4.528 -10.472 -4.288 266 HD1 PHE 39 1HD PHE 39 -5.789 -7.940 -4.993 267 HD2 PHE 39 2HD PHE 39 -2.535 -8.729 -2.368 268 HE1 PHE 39 1HE PHE 39 -4.926 -5.674 -5.392 269 HE2 PHE 39 2HE PHE 39 -1.666 -6.461 -2.761 270 HZ PHE 39 HZ PHE 39 -2.862 -4.930 -4.274 271 H GLN 40 H GLN 40 -7.188 -11.743 -4.608 272 HA GLN 40 HA GLN 40 -7.788 -13.597 -2.441 273 HB2 GLN 40 2HB GLN 40 -8.282 -13.765 -5.426 274 HB3 GLN 40 1HB GLN 40 -8.800 -14.974 -4.258 275 HG2 GLN 40 2HG GLN 40 -10.263 -13.377 -3.197 276 HG3 GLN 40 1HG GLN 40 -9.684 -12.098 -4.263 277 HE21 GLN 40 1HE2 GLN 40 -11.732 -11.687 -5.071 278 HE22 GLN 40 2HE2 GLN 40 -12.532 -12.766 -6.156 279 H ASP 41 H ASP 41 -5.284 -12.787 -4.435 280 HA ASP 41 HA ASP 41 -3.810 -15.213 -3.813 281 HB2 ASP 41 2HB ASP 41 -4.888 -15.463 -6.120 282 HB3 ASP 41 1HB ASP 41 -3.841 -14.142 -6.644 283 H LEU 42 H LEU 42 -1.948 -14.527 -2.921 284 HA LEU 42 HA LEU 42 -1.075 -11.804 -3.432 285 HB2 LEU 42 2HB LEU 42 -0.045 -13.865 -1.487 286 HB3 LEU 42 1HB LEU 42 0.532 -12.211 -1.599 287 HG LEU 42 HG LEU 42 -2.282 -13.020 -0.877 288 HD11 LEU 42 1HD1 LEU 42 -0.743 -13.627 0.882 289 HD12 LEU 42 2HD1 LEU 42 -1.671 -12.209 1.371 290 HD13 LEU 42 3HD1 LEU 42 -0.002 -12.028 0.828 291 HD21 LEU 42 3HD2 LEU 42 -2.487 -10.627 -0.235 292 HD22 LEU 42 1HD2 LEU 42 -2.276 -10.878 -1.968 293 HD23 LEU 42 2HD2 LEU 42 -0.918 -10.332 -0.985 294 H GLU 43 H GLU 43 -0.794 -13.320 -5.666 295 HA GLU 43 HA GLU 43 2.125 -13.385 -5.952 296 HB2 GLU 43 2HB GLU 43 0.269 -15.426 -7.187 297 HB3 GLU 43 1HB GLU 43 2.018 -15.371 -7.346 298 HG2 GLU 43 2HG GLU 43 2.223 -15.760 -4.933 299 HG3 GLU 43 1HG GLU 43 0.469 -15.889 -4.825 300 H ILE 44 H ILE 44 -0.505 -11.823 -6.717 301 HA ILE 44 HA ILE 44 -0.134 -11.621 -9.602 302 HB ILE 44 HB ILE 44 -1.996 -9.846 -9.309 303 HG12 ILE 44 2HG1 ILE 44 -2.743 -11.366 -6.872 304 HG13 ILE 44 1HG1 ILE 44 -1.535 -10.101 -6.697 305 HG21 ILE 44 1HG2 ILE 44 -2.230 -12.116 -10.300 306 HG22 ILE 44 2HG2 ILE 44 -3.687 -11.535 -9.494 307 HG23 ILE 44 3HG2 ILE 44 -2.655 -12.724 -8.697 308 HD11 ILE 44 3HD1 ILE 44 -4.406 -9.896 -7.447 309 HD12 ILE 44 1HD1 ILE 44 -3.267 -8.643 -7.946 310 HD13 ILE 44 2HD1 ILE 44 -3.489 -8.999 -6.233 311 HA PRO 45 HA PRO 45 2.418 -8.026 -9.845 312 HB2 PRO 45 2HB PRO 45 0.143 -6.768 -11.325 313 HB3 PRO 45 1HB PRO 45 1.853 -6.837 -11.756 314 HG2 PRO 45 2HG PRO 45 0.120 -8.442 -12.955 315 HG3 PRO 45 1HG PRO 45 1.713 -9.057 -12.465 316 HD2 PRO 45 2HD PRO 45 -0.960 -9.501 -11.211 317 HD3 PRO 45 1HD PRO 45 0.421 -10.607 -11.351 318 H ALA 46 H ALA 46 -0.957 -7.578 -8.966 319 HA ALA 46 HA ALA 46 -0.844 -4.948 -8.046 320 HB1 ALA 46 1HB ALA 46 -2.587 -7.098 -6.882 321 HB2 ALA 46 2HB ALA 46 -2.894 -6.341 -8.445 322 HB3 ALA 46 3HB ALA 46 -2.912 -5.366 -6.973 323 H VAL 47 H VAL 47 -0.027 -7.967 -6.388 324 HA VAL 47 HA VAL 47 0.097 -6.882 -3.799 325 HB VAL 47 HB VAL 47 1.882 -9.152 -4.617 326 HG11 VAL 47 1HG1 VAL 47 1.311 -9.960 -2.367 327 HG12 VAL 47 2HG1 VAL 47 0.311 -8.530 -2.117 328 HG13 VAL 47 3HG1 VAL 47 2.053 -8.362 -2.329 329 HG21 VAL 47 3HG2 VAL 47 -1.057 -9.418 -4.017 330 HG22 VAL 47 1HG2 VAL 47 0.065 -10.695 -4.477 331 HG23 VAL 47 2HG2 VAL 47 -0.381 -9.453 -5.645 332 HA PRO 48 HA PRO 48 4.904 -6.316 -4.459 333 HB2 PRO 48 2HB PRO 48 5.012 -6.113 -7.421 334 HB3 PRO 48 1HB PRO 48 6.153 -6.874 -6.304 335 HG2 PRO 48 2HG PRO 48 4.553 -8.356 -7.827 336 HG3 PRO 48 1HG PRO 48 4.904 -8.823 -6.152 337 HD2 PRO 48 2HD PRO 48 2.460 -7.520 -7.282 338 HD3 PRO 48 1HD PRO 48 2.591 -8.797 -6.063 339 H ILE 49 H ILE 49 2.757 -5.023 -6.957 340 HA ILE 49 HA ILE 49 3.850 -2.454 -7.126 341 HB ILE 49 HB ILE 49 1.198 -3.629 -7.800 342 HG12 ILE 49 2HG1 ILE 49 2.890 -2.045 -9.657 343 HG13 ILE 49 1HG1 ILE 49 3.475 -3.625 -9.149 344 HG21 ILE 49 1HG2 ILE 49 1.785 -0.732 -7.557 345 HG22 ILE 49 2HG2 ILE 49 0.305 -1.619 -7.195 346 HG23 ILE 49 3HG2 ILE 49 0.751 -1.297 -8.871 347 HD11 ILE 49 3HD1 ILE 49 2.146 -3.499 -11.307 348 HD12 ILE 49 1HD1 ILE 49 0.728 -3.246 -10.287 349 HD13 ILE 49 2HD1 ILE 49 1.670 -4.732 -10.138 350 H LEU 50 H LEU 50 1.480 -3.840 -4.917 351 HA LEU 50 HA LEU 50 0.800 -1.331 -3.715 352 HB2 LEU 50 2HB LEU 50 -0.798 -3.128 -3.605 353 HB3 LEU 50 1HB LEU 50 0.363 -4.173 -2.816 354 HG LEU 50 HG LEU 50 0.350 -2.580 -0.869 355 HD11 LEU 50 1HD1 LEU 50 -2.077 -1.446 -2.247 356 HD12 LEU 50 2HD1 LEU 50 -0.519 -0.635 -2.111 357 HD13 LEU 50 3HD1 LEU 50 -1.452 -0.995 -0.659 358 HD21 LEU 50 3HD2 LEU 50 -1.016 -4.721 -1.077 359 HD22 LEU 50 1HD2 LEU 50 -2.397 -3.674 -1.424 360 HD23 LEU 50 2HD2 LEU 50 -1.547 -3.539 0.120 361 H HIS 51 H HIS 51 2.750 -4.118 -2.623 362 HA HIS 51 HA HIS 51 3.714 -3.014 -0.267 363 HB2 HIS 51 2HB HIS 51 5.039 -4.926 -2.199 364 HB3 HIS 51 1HB HIS 51 5.724 -4.508 -0.631 365 HD1 HIS 51 1HD HIS 51 5.431 -6.576 0.706 366 HD2 HIS 51 2HD HIS 51 1.973 -5.557 -1.361 367 HE1 HIS 51 1HE HIS 51 3.678 -8.202 1.484 368 HE2 HIS 51 2HE HIS 51 1.576 -7.519 0.276 369 H SER 52 H SER 52 4.463 -2.275 -3.547 370 HA SER 52 HA SER 52 6.924 -0.881 -2.945 371 HB2 SER 52 2HB SER 52 5.273 -1.030 -5.479 372 HB3 SER 52 1HB SER 52 6.828 -0.209 -5.348 373 HG SER 52 HG SER 52 6.640 -2.881 -4.530 374 H MET 53 H MET 53 3.590 -0.018 -3.844 375 HA MET 53 HA MET 53 3.959 2.761 -3.877 376 HB2 MET 53 2HB MET 53 1.660 2.954 -4.035 377 HB3 MET 53 1HB MET 53 1.907 1.314 -4.611 378 HG2 MET 53 2HG MET 53 0.108 1.098 -3.186 379 HG3 MET 53 1HG MET 53 1.468 0.621 -2.174 380 HE1 MET 53 3HE MET 53 -1.144 1.190 -0.757 381 HE2 MET 53 1HE MET 53 -0.733 2.362 0.497 382 HE3 MET 53 2HE MET 53 0.344 1.003 0.171 383 H VAL 54 H VAL 54 3.651 0.476 -1.319 384 HA VAL 54 HA VAL 54 2.804 2.010 0.815 385 HB VAL 54 HB VAL 54 4.843 -0.204 0.753 386 HG11 VAL 54 1HG1 VAL 54 5.216 1.111 2.741 387 HG12 VAL 54 2HG1 VAL 54 4.446 -0.417 3.174 388 HG13 VAL 54 3HG1 VAL 54 3.494 1.067 3.123 389 HG21 VAL 54 3HG2 VAL 54 1.887 -0.091 1.196 390 HG22 VAL 54 1HG2 VAL 54 2.855 -1.411 1.851 391 HG23 VAL 54 2HG2 VAL 54 2.813 -1.129 0.113 392 H GLN 55 H GLN 55 6.133 1.526 -0.336 393 HA GLN 55 HA GLN 55 7.249 3.355 1.540 394 HB2 GLN 55 2HB GLN 55 8.550 2.491 -1.021 395 HB3 GLN 55 1HB GLN 55 9.305 2.927 0.506 396 HG2 GLN 55 2HG GLN 55 8.512 0.898 1.529 397 HG3 GLN 55 1HG GLN 55 7.619 0.475 0.068 398 HE21 GLN 55 1HE2 GLN 55 8.699 -1.446 -0.237 399 HE22 GLN 55 2HE2 GLN 55 10.351 -1.523 -0.735 400 H LYS 56 H LYS 56 5.492 3.748 -1.283 401 HA LYS 56 HA LYS 56 6.749 6.276 -2.032 402 HB2 LYS 56 2HB LYS 56 4.431 4.785 -3.274 403 HB3 LYS 56 1HB LYS 56 5.173 6.239 -3.923 404 HG2 LYS 56 2HG LYS 56 7.262 5.050 -4.259 405 HG3 LYS 56 1HG LYS 56 6.561 3.590 -3.557 406 HD2 LYS 56 2HD LYS 56 6.436 3.306 -5.898 407 HD3 LYS 56 1HD LYS 56 4.803 3.737 -5.380 408 HE2 LYS 56 2HE LYS 56 5.242 5.019 -7.320 409 HE3 LYS 56 1HE LYS 56 5.382 6.122 -5.950 410 HZ1 LYS 56 3HZ LYS 56 7.178 6.427 -7.546 411 HZ2 LYS 56 1HZ LYS 56 7.661 4.817 -7.338 412 HZ3 LYS 56 2HZ LYS 56 7.777 5.908 -6.051 413 H PHE 57 H PHE 57 4.154 5.032 -0.204 414 HA PHE 57 HA PHE 57 3.149 7.751 0.245 415 HB2 PHE 57 2HB PHE 57 1.563 5.315 -0.490 416 HB3 PHE 57 1HB PHE 57 0.832 6.620 0.441 417 HD1 PHE 57 1HD PHE 57 0.448 8.796 -0.550 418 HD2 PHE 57 2HD PHE 57 2.167 5.622 -2.804 419 HE1 PHE 57 1HE PHE 57 0.009 10.039 -2.626 420 HE2 PHE 57 2HE PHE 57 1.729 6.858 -4.885 421 HZ PHE 57 HZ PHE 57 0.651 9.071 -4.797 422 HA PRO 58 HA PRO 58 4.279 5.301 4.168 423 HB2 PRO 58 2HB PRO 58 5.380 7.613 5.280 424 HB3 PRO 58 1HB PRO 58 6.293 6.303 4.528 425 HG2 PRO 58 2HG PRO 58 5.403 8.911 3.365 426 HG3 PRO 58 1HG PRO 58 6.939 8.047 3.143 427 HD2 PRO 58 2HD PRO 58 5.077 7.989 1.244 428 HD3 PRO 58 1HD PRO 58 5.998 6.522 1.640 429 H GLY 59 H GLY 59 3.103 8.614 3.639 430 HA2 GLY 59 2HA GLY 59 1.765 8.965 6.070 431 HA3 GLY 59 1HA GLY 59 1.335 9.757 4.559 432 H VAL 60 H VAL 60 0.661 7.571 3.023 433 HA VAL 60 HA VAL 60 -2.010 7.085 3.803 434 HB VAL 60 HB VAL 60 -0.217 5.979 1.657 435 HG11 VAL 60 1HG1 VAL 60 -1.612 4.094 2.344 436 HG12 VAL 60 2HG1 VAL 60 -2.099 4.690 0.757 437 HG13 VAL 60 3HG1 VAL 60 -3.058 5.091 2.182 438 HG21 VAL 60 3HG2 VAL 60 -2.694 7.690 1.707 439 HG22 VAL 60 1HG2 VAL 60 -1.996 7.031 0.225 440 HG23 VAL 60 2HG2 VAL 60 -1.061 8.151 1.219 441 H SER 61 H SER 61 -2.993 5.180 4.591 442 HA SER 61 HA SER 61 -1.244 3.588 6.259 443 HB2 SER 61 2HB SER 61 -3.388 4.377 7.157 444 HB3 SER 61 1HB SER 61 -4.245 3.459 5.924 445 HG SER 61 HG SER 61 -2.424 2.154 7.615 446 H PHE 62 H PHE 62 -0.073 2.251 4.997 447 HA PHE 62 HA PHE 62 -1.010 0.782 2.802 448 HB2 PHE 62 2HB PHE 62 1.016 -0.736 3.424 449 HB3 PHE 62 1HB PHE 62 1.310 0.926 2.917 450 HD1 PHE 62 1HD PHE 62 1.218 -1.346 5.816 451 HD2 PHE 62 2HD PHE 62 2.212 2.547 4.414 452 HE1 PHE 62 1HE PHE 62 2.439 -0.909 7.906 453 HE2 PHE 62 2HE PHE 62 3.436 2.990 6.499 454 HZ PHE 62 HZ PHE 62 3.551 1.261 8.249 455 H GLY 63 H GLY 63 -2.180 -1.012 2.641 456 HA2 GLY 63 2HA GLY 63 -2.287 -2.886 4.877 457 HA3 GLY 63 1HA GLY 63 -3.802 -2.133 4.397 458 H ILE 64 H ILE 64 -3.374 -4.894 4.340 459 HA ILE 64 HA ILE 64 -4.062 -5.424 1.605 460 HB ILE 64 HB ILE 64 -1.439 -5.520 1.927 461 HG12 ILE 64 2HG1 ILE 64 -2.975 -7.642 0.422 462 HG13 ILE 64 1HG1 ILE 64 -2.672 -6.005 -0.146 463 HG21 ILE 64 1HG2 ILE 64 -2.296 -8.262 2.830 464 HG22 ILE 64 2HG2 ILE 64 -1.405 -7.072 3.775 465 HG23 ILE 64 3HG2 ILE 64 -0.658 -7.814 2.361 466 HD11 ILE 64 3HD1 ILE 64 -0.250 -6.479 -0.090 467 HD12 ILE 64 1HD1 ILE 64 -1.141 -7.521 -1.203 468 HD13 ILE 64 2HD1 ILE 64 -0.619 -8.145 0.361 469 H SER 65 H SER 65 -5.232 -7.328 1.386 470 HA SER 65 HA SER 65 -5.438 -9.096 3.692 471 HB2 SER 65 2HB SER 65 -7.096 -7.429 4.240 472 HB3 SER 65 1HB SER 65 -7.786 -7.522 2.618 473 HG SER 65 HG SER 65 -8.700 -8.807 4.558 474 H THR 66 H THR 66 -6.538 -11.061 3.285 475 HA THR 66 HA THR 66 -7.129 -11.672 0.482 476 HB THR 66 HB THR 66 -5.891 -13.791 0.613 477 HG1 THR 66 1HG THR 66 -4.253 -13.704 2.482 478 HG21 THR 66 3HG2 THR 66 -4.093 -11.473 1.299 479 HG22 THR 66 1HG2 THR 66 -4.836 -11.713 -0.282 480 HG23 THR 66 2HG2 THR 66 -3.688 -12.897 0.340 481 H ASP 67 H ASP 67 -8.117 -11.638 3.584 482 HA ASP 67 HA ASP 67 -9.340 -14.179 3.904 483 HB2 ASP 67 2HB ASP 67 -8.851 -12.599 5.773 484 HB3 ASP 67 1HB ASP 67 -10.133 -11.550 5.177 485 H SER 68 H SER 68 -11.411 -14.857 3.479 486 HA SER 68 HA SER 68 -12.704 -13.743 1.234 487 HB2 SER 68 2HB SER 68 -12.850 -16.128 1.757 488 HB3 SER 68 1HB SER 68 -13.726 -15.763 3.243 489 HG SER 68 HG SER 68 -15.198 -16.302 1.641 490 H GLU 69 H GLU 69 -13.664 -13.824 4.669 491 HA GLU 69 HA GLU 69 -16.073 -12.502 4.495 492 HB2 GLU 69 2HB GLU 69 -14.061 -12.146 6.712 493 HB3 GLU 69 1HB GLU 69 -15.799 -11.896 6.814 494 HG2 GLU 69 2HG GLU 69 -16.153 -14.285 6.368 495 HG3 GLU 69 1HG GLU 69 -14.405 -14.520 6.334 496 H VAL 70 H VAL 70 -12.836 -11.078 4.684 497 HA VAL 70 HA VAL 70 -13.795 -8.402 4.793 498 HB VAL 70 HB VAL 70 -11.080 -9.512 4.078 499 HG11 VAL 70 1HG1 VAL 70 -11.955 -6.646 4.369 500 HG12 VAL 70 2HG1 VAL 70 -11.250 -7.418 2.947 501 HG13 VAL 70 3HG1 VAL 70 -10.272 -7.170 4.394 502 HG21 VAL 70 3HG2 VAL 70 -10.411 -8.909 6.256 503 HG22 VAL 70 1HG2 VAL 70 -11.969 -9.713 6.448 504 HG23 VAL 70 2HG2 VAL 70 -11.867 -7.950 6.522 505 H LEU 71 H LEU 71 -12.307 -10.316 2.185 506 HA LEU 71 HA LEU 71 -12.608 -8.420 0.152 507 HB2 LEU 71 2HB LEU 71 -12.251 -11.379 0.234 508 HB3 LEU 71 1HB LEU 71 -12.708 -10.638 -1.289 509 HG LEU 71 HG LEU 71 -10.710 -9.356 -1.380 510 HD11 LEU 71 1HD1 LEU 71 -10.571 -8.664 0.933 511 HD12 LEU 71 2HD1 LEU 71 -9.040 -9.370 0.417 512 HD13 LEU 71 3HD1 LEU 71 -10.144 -10.303 1.423 513 HD21 LEU 71 3HD2 LEU 71 -10.428 -11.648 -2.077 514 HD22 LEU 71 1HD2 LEU 71 -10.097 -12.144 -0.418 515 HD23 LEU 71 2HD2 LEU 71 -8.963 -11.091 -1.267 516 H THR 72 H THR 72 -14.925 -10.257 1.807 517 HA THR 72 HA THR 72 -16.908 -10.122 -0.320 518 HB THR 72 HB THR 72 -17.133 -11.152 2.517 519 HG1 THR 72 1HG THR 72 -16.683 -13.082 1.670 520 HG21 THR 72 3HG2 THR 72 -19.292 -10.382 1.692 521 HG22 THR 72 1HG2 THR 72 -19.260 -12.145 1.746 522 HG23 THR 72 2HG2 THR 72 -19.078 -11.305 0.205 523 H HIS 73 H HIS 73 -16.229 -8.733 2.846 524 HA HIS 73 HA HIS 73 -18.584 -7.242 3.142 525 HB2 HIS 73 2HB HIS 73 -16.976 -7.664 4.972 526 HB3 HIS 73 1HB HIS 73 -15.817 -6.595 4.189 527 HD1 HIS 73 1HD HIS 73 -18.827 -6.597 6.346 528 HD2 HIS 73 2HD HIS 73 -16.501 -3.828 4.297 529 HE1 HIS 73 1HE HIS 73 -19.481 -4.354 7.273 530 HE2 HIS 73 2HE HIS 73 -17.984 -2.706 6.096 531 H TYR 74 H TYR 74 -15.529 -6.534 1.535 532 HA TYR 74 HA TYR 74 -16.497 -3.894 0.753 533 HB2 TYR 74 2HB TYR 74 -13.833 -5.276 0.455 534 HB3 TYR 74 1HB TYR 74 -14.191 -3.741 -0.331 535 HD1 TYR 74 1HD TYR 74 -14.249 -5.342 3.043 536 HD2 TYR 74 2HD TYR 74 -13.739 -1.765 0.796 537 HE1 TYR 74 1HE TYR 74 -13.627 -4.147 5.099 538 HE2 TYR 74 2HE TYR 74 -13.113 -0.560 2.846 539 HH TYR 74 HH TYR 74 -13.436 -0.764 5.275 540 H ASN 75 H ASN 75 -17.362 -6.687 -0.257 541 HA ASN 75 HA ASN 75 -18.087 -7.629 -2.193 542 HB2 ASN 75 2HB ASN 75 -18.074 -4.724 -3.010 543 HB3 ASN 75 1HB ASN 75 -18.796 -6.012 -3.971 544 HD21 ASN 75 1HD2 ASN 75 -20.041 -3.682 -2.754 545 HD22 ASN 75 2HD2 ASN 75 -21.271 -4.287 -1.702 546 H ILE 76 H ILE 76 -15.137 -7.159 -1.805 547 HA ILE 76 HA ILE 76 -13.863 -6.555 -4.211 548 HB ILE 76 HB ILE 76 -12.937 -8.580 -2.172 549 HG12 ILE 76 2HG1 ILE 76 -13.504 -6.460 -1.090 550 HG13 ILE 76 1HG1 ILE 76 -11.766 -6.711 -1.094 551 HG21 ILE 76 1HG2 ILE 76 -10.672 -7.794 -2.955 552 HG22 ILE 76 2HG2 ILE 76 -11.505 -7.014 -4.297 553 HG23 ILE 76 3HG2 ILE 76 -11.591 -8.762 -4.103 554 HD11 ILE 76 3HD1 ILE 76 -13.272 -4.937 -3.004 555 HD12 ILE 76 1HD1 ILE 76 -11.523 -5.154 -2.937 556 HD13 ILE 76 2HD1 ILE 76 -12.369 -4.396 -1.589 557 H THR 77 H THR 77 -13.958 -7.516 -6.131 558 HA THR 77 HA THR 77 -14.218 -10.433 -6.263 559 HB THR 77 HB THR 77 -15.835 -10.197 -8.158 560 HG1 THR 77 1HG THR 77 -16.042 -7.517 -7.203 561 HG21 THR 77 3HG2 THR 77 -16.666 -10.832 -5.987 562 HG22 THR 77 1HG2 THR 77 -17.801 -9.704 -6.727 563 HG23 THR 77 2HG2 THR 77 -16.701 -9.149 -5.465 564 H GLY 78 H GLY 78 -11.816 -9.491 -6.622 565 HA2 GLY 78 2HA GLY 78 -10.802 -10.350 -8.935 566 HA3 GLY 78 1HA GLY 78 -11.370 -8.754 -9.405 567 H ASN 79 H ASN 79 -9.753 -9.951 -6.460 568 HA ASN 79 HA ASN 79 -7.990 -9.095 -5.285 569 HB2 ASN 79 2HB ASN 79 -6.823 -8.728 -8.049 570 HB3 ASN 79 1HB ASN 79 -5.931 -8.935 -6.547 571 HD21 ASN 79 1HD2 ASN 79 -5.770 -10.502 -8.958 572 HD22 ASN 79 2HD2 ASN 79 -6.183 -12.123 -8.527 573 H THR 80 H THR 80 -9.956 -7.249 -5.621 574 HA THR 80 HA THR 80 -9.134 -4.791 -6.764 575 HB THR 80 HB THR 80 -11.248 -5.391 -4.682 576 HG1 THR 80 1HG THR 80 -12.631 -5.391 -6.466 577 HG21 THR 80 3HG2 THR 80 -12.235 -3.244 -5.260 578 HG22 THR 80 1HG2 THR 80 -10.915 -2.918 -6.380 579 HG23 THR 80 2HG2 THR 80 -10.598 -3.015 -4.651 580 H ILE 81 H ILE 81 -8.548 -2.862 -5.761 581 HA ILE 81 HA ILE 81 -7.361 -3.079 -3.066 582 HB ILE 81 HB ILE 81 -6.452 -1.395 -5.411 583 HG12 ILE 81 2HG1 ILE 81 -5.101 -3.661 -3.934 584 HG13 ILE 81 1HG1 ILE 81 -5.771 -3.745 -5.556 585 HG21 ILE 81 1HG2 ILE 81 -4.671 -0.581 -3.957 586 HG22 ILE 81 2HG2 ILE 81 -5.348 -1.491 -2.606 587 HG23 ILE 81 3HG2 ILE 81 -6.258 -0.156 -3.314 588 HD11 ILE 81 3HD1 ILE 81 -4.135 -2.009 -6.247 589 HD12 ILE 81 1HD1 ILE 81 -3.410 -3.529 -5.723 590 HD13 ILE 81 2HD1 ILE 81 -3.407 -2.135 -4.645 591 H CYS 82 H CYS 82 -8.480 -1.889 -1.619 592 HA CYS 82 HA CYS 82 -10.076 0.330 -2.677 593 HB2 CYS 82 2HB CYS 82 -10.428 -1.258 -0.146 594 HB3 CYS 82 1HB CYS 82 -11.436 0.102 -0.620 595 HG CYS 82 HG CYS 82 -12.377 -1.170 -2.958 596 H LEU 83 H LEU 83 -9.735 2.341 -2.118 597 HA LEU 83 HA LEU 83 -7.824 2.924 0.031 598 HB2 LEU 83 2HB LEU 83 -6.947 3.908 -1.864 599 HB3 LEU 83 1HB LEU 83 -8.519 4.253 -2.547 600 HG LEU 83 HG LEU 83 -8.812 6.154 -1.098 601 HD11 LEU 83 1HD1 LEU 83 -7.372 6.812 0.618 602 HD12 LEU 83 2HD1 LEU 83 -6.097 5.710 0.094 603 HD13 LEU 83 3HD1 LEU 83 -7.559 5.073 0.848 604 HD21 LEU 83 3HD2 LEU 83 -6.079 6.100 -2.361 605 HD22 LEU 83 1HD2 LEU 83 -6.919 7.557 -1.834 606 HD23 LEU 83 2HD2 LEU 83 -7.594 6.571 -3.131 607 H PHE 84 H PHE 84 -8.986 3.216 1.870 608 HA PHE 84 HA PHE 84 -11.490 4.722 1.729 609 HB2 PHE 84 2HB PHE 84 -11.155 2.453 2.984 610 HB3 PHE 84 1HB PHE 84 -10.446 3.461 4.239 611 HD1 PHE 84 1HD PHE 84 -11.885 5.430 5.094 612 HD2 PHE 84 2HD PHE 84 -13.443 2.140 2.887 613 HE1 PHE 84 1HE PHE 84 -14.137 5.922 5.955 614 HE2 PHE 84 2HE PHE 84 -15.696 2.628 3.742 615 HZ PHE 84 HZ PHE 84 -16.046 4.521 5.278 616 H ARG 85 H ARG 85 -11.509 6.810 2.193 617 HA ARG 85 HA ARG 85 -9.271 7.937 3.740 618 HB2 ARG 85 2HB ARG 85 -11.133 9.795 2.401 619 HB3 ARG 85 1HB ARG 85 -9.375 9.801 2.463 620 HG2 ARG 85 2HG ARG 85 -9.289 8.085 0.743 621 HG3 ARG 85 1HG ARG 85 -11.058 8.054 0.683 622 HD2 ARG 85 2HD ARG 85 -9.212 10.301 -0.099 623 HD3 ARG 85 1HD ARG 85 -10.331 9.407 -1.129 624 HE ARG 85 HE ARG 85 -11.735 10.703 0.955 625 HH11 ARG 85 1HH1 ARG 85 -10.076 11.343 -2.043 626 HH12 ARG 85 2HH1 ARG 85 -11.001 12.764 -2.399 627 HH21 ARG 85 1HH2 ARG 85 -12.954 12.575 0.494 628 HH22 ARG 85 2HH2 ARG 85 -12.634 13.464 -0.957 629 H LEU 86 H LEU 86 -9.875 7.739 5.811 630 HA LEU 86 HA LEU 86 -12.274 7.726 7.047 631 HB2 LEU 86 2HB LEU 86 -10.532 7.325 8.466 632 HB3 LEU 86 1HB LEU 86 -9.572 8.650 7.841 633 HG LEU 86 HG LEU 86 -11.117 10.223 9.057 634 HD11 LEU 86 1HD1 LEU 86 -13.016 8.701 9.309 635 HD12 LEU 86 2HD1 LEU 86 -12.464 9.304 10.873 636 HD13 LEU 86 3HD1 LEU 86 -12.050 7.667 10.362 637 HD21 LEU 86 3HD2 LEU 86 -8.936 9.711 9.934 638 HD22 LEU 86 1HD2 LEU 86 -9.539 8.216 10.654 639 HD23 LEU 86 2HD2 LEU 86 -10.098 9.774 11.261 640 H VAL 87 H VAL 87 -10.429 10.707 6.396 641 HA VAL 87 HA VAL 87 -11.930 12.615 7.570 642 HB VAL 87 HB VAL 87 -11.553 13.827 5.153 643 HG11 VAL 87 1HG1 VAL 87 -9.607 13.414 7.416 644 HG12 VAL 87 2HG1 VAL 87 -10.778 14.721 7.232 645 HG13 VAL 87 3HG1 VAL 87 -9.402 14.609 6.134 646 HG21 VAL 87 3HG2 VAL 87 -10.661 11.869 4.102 647 HG22 VAL 87 1HG2 VAL 87 -9.519 11.622 5.430 648 HG23 VAL 87 2HG2 VAL 87 -9.343 13.017 4.358 649 H ASP 88 H ASP 88 -12.538 11.708 4.180 650 HA ASP 88 HA ASP 88 -15.270 12.683 4.493 651 HB2 ASP 88 2HB ASP 88 -13.526 12.167 2.102 652 HB3 ASP 88 1HB ASP 88 -15.265 12.415 1.934 653 H ASN 89 H ASN 89 -13.923 9.923 5.148 654 HA ASN 89 HA ASN 89 -14.469 7.713 5.114 655 HB2 ASN 89 2HB ASN 89 -17.256 8.847 4.848 656 HB3 ASN 89 1HB ASN 89 -16.851 7.216 5.374 657 HD21 ASN 89 1HD2 ASN 89 -18.199 9.588 6.666 658 HD22 ASN 89 2HD2 ASN 89 -17.390 9.756 8.182 659 H GLU 90 H GLU 90 -13.790 8.812 2.541 660 HA GLU 90 HA GLU 90 -15.612 7.738 0.595 661 HB2 GLU 90 2HB GLU 90 -12.758 8.661 0.231 662 HB3 GLU 90 1HB GLU 90 -13.933 8.386 -1.047 663 HG2 GLU 90 2HG GLU 90 -14.183 10.443 1.123 664 HG3 GLU 90 1HG GLU 90 -13.634 10.757 -0.520 665 H GLN 91 H GLN 91 -15.055 6.071 -0.945 666 HA GLN 91 HA GLN 91 -13.011 4.172 -0.085 667 HB2 GLN 91 2HB GLN 91 -15.132 3.498 1.008 668 HB3 GLN 91 1HB GLN 91 -15.889 3.382 -0.573 669 HG2 GLN 91 2HG GLN 91 -13.427 1.800 -0.020 670 HG3 GLN 91 1HG GLN 91 -14.971 1.257 0.631 671 HE21 GLN 91 1HE2 GLN 91 -16.631 0.676 -0.806 672 HE22 GLN 91 2HE2 GLN 91 -16.291 0.242 -2.443 673 H LEU 92 H LEU 92 -11.798 4.454 -1.896 674 HA LEU 92 HA LEU 92 -13.019 4.316 -4.526 675 HB2 LEU 92 2HB LEU 92 -10.104 4.537 -3.765 676 HB3 LEU 92 1HB LEU 92 -10.763 4.724 -5.376 677 HG LEU 92 HG LEU 92 -10.275 6.899 -4.592 678 HD11 LEU 92 1HD1 LEU 92 -13.229 6.422 -4.248 679 HD12 LEU 92 2HD1 LEU 92 -12.389 6.767 -5.761 680 HD13 LEU 92 3HD1 LEU 92 -12.464 7.993 -4.492 681 HD21 LEU 92 3HD2 LEU 92 -10.187 6.202 -2.172 682 HD22 LEU 92 1HD2 LEU 92 -11.933 6.443 -2.129 683 HD23 LEU 92 2HD2 LEU 92 -10.864 7.797 -2.496 684 H ASN 93 H ASN 93 -13.454 2.362 -5.368 685 HA ASN 93 HA ASN 93 -11.880 0.081 -4.456 686 HB2 ASN 93 2HB ASN 93 -13.694 -1.189 -5.821 687 HB3 ASN 93 1HB ASN 93 -14.126 -0.472 -4.275 688 HD21 ASN 93 1HD2 ASN 93 -15.443 1.343 -4.225 689 HD22 ASN 93 2HD2 ASN 93 -16.361 1.853 -5.596 690 H LEU 94 H LEU 94 -10.016 0.106 -5.586 691 HA LEU 94 HA LEU 94 -9.957 0.362 -8.459 692 HB2 LEU 94 2HB LEU 94 -8.136 1.029 -6.721 693 HB3 LEU 94 1HB LEU 94 -7.715 -0.672 -6.736 694 HG LEU 94 HG LEU 94 -7.842 0.700 -9.360 695 HD11 LEU 94 1HD1 LEU 94 -5.558 1.558 -9.079 696 HD12 LEU 94 2HD1 LEU 94 -5.613 1.120 -7.372 697 HD13 LEU 94 3HD1 LEU 94 -6.699 2.360 -7.999 698 HD21 LEU 94 3HD2 LEU 94 -7.320 -1.681 -9.151 699 HD22 LEU 94 1HD2 LEU 94 -5.948 -1.288 -8.116 700 HD23 LEU 94 2HD2 LEU 94 -5.957 -0.774 -9.803 701 H GLU 95 H GLU 95 -11.459 -1.354 -8.905 702 HA GLU 95 HA GLU 95 -10.837 -4.050 -8.105 703 HB2 GLU 95 2HB GLU 95 -12.940 -3.124 -10.052 704 HB3 GLU 95 1HB GLU 95 -12.869 -4.668 -9.214 705 HG2 GLU 95 2HG GLU 95 -13.294 -3.634 -7.114 706 HG3 GLU 95 1HG GLU 95 -13.148 -2.022 -7.818 707 H ASP 96 H ASP 96 -11.672 -5.484 -10.309 708 HA ASP 96 HA ASP 96 -9.322 -6.074 -11.612 709 HB2 ASP 96 2HB ASP 96 -11.143 -7.636 -11.625 710 HB3 ASP 96 1HB ASP 96 -12.172 -6.511 -12.508 711 H GLU 97 H GLU 97 -11.823 -3.780 -12.607 712 HA GLU 97 HA GLU 97 -10.982 -3.290 -15.213 713 HB2 GLU 97 2HB GLU 97 -12.232 -1.450 -13.171 714 HB3 GLU 97 1HB GLU 97 -11.945 -0.968 -14.838 715 HG2 GLU 97 2HG GLU 97 -14.227 -1.659 -14.590 716 HG3 GLU 97 1HG GLU 97 -13.372 -2.829 -15.593 717 H ASP 98 H ASP 98 -9.390 -2.701 -12.307 718 HA ASP 98 HA ASP 98 -7.376 -1.063 -13.672 719 HB2 ASP 98 2HB ASP 98 -8.397 -0.695 -10.844 720 HB3 ASP 98 1HB ASP 98 -7.021 0.163 -11.541 721 H ILE 99 H ILE 99 -8.069 -3.832 -11.833 722 HA ILE 99 HA ILE 99 -5.395 -4.101 -10.721 723 HB ILE 99 HB ILE 99 -7.832 -5.875 -10.550 724 HG12 ILE 99 2HG1 ILE 99 -7.811 -3.738 -9.264 725 HG13 ILE 99 1HG1 ILE 99 -7.943 -5.177 -8.264 726 HG21 ILE 99 1HG2 ILE 99 -5.081 -6.296 -9.392 727 HG22 ILE 99 2HG2 ILE 99 -5.957 -7.355 -10.500 728 HG23 ILE 99 3HG2 ILE 99 -6.523 -7.149 -8.842 729 HD11 ILE 99 3HD1 ILE 99 -5.552 -5.010 -7.748 730 HD12 ILE 99 1HD1 ILE 99 -6.452 -3.574 -7.257 731 HD13 ILE 99 2HD1 ILE 99 -5.461 -3.538 -8.717 732 H GLU 100 H GLU 100 -7.347 -5.403 -13.327 733 HA GLU 100 HA GLU 100 -5.932 -7.663 -14.027 734 HB2 GLU 100 2HB GLU 100 -8.023 -6.983 -15.116 735 HB3 GLU 100 1HB GLU 100 -7.192 -5.640 -15.889 736 HG2 GLU 100 2HG GLU 100 -7.512 -7.472 -17.440 737 HG3 GLU 100 1HG GLU 100 -5.796 -7.205 -17.130 738 H SER 101 H SER 101 -5.335 -4.325 -15.093 739 HA SER 101 HA SER 101 -2.617 -5.151 -15.877 740 HB2 SER 101 2HB SER 101 -4.299 -2.906 -17.024 741 HB3 SER 101 1HB SER 101 -2.649 -3.298 -17.507 742 HG SER 101 HG SER 101 -3.685 -4.487 -18.921 743 H ILE 102 H ILE 102 -3.309 -4.445 -13.235 744 HA ILE 102 HA ILE 102 -2.846 -1.744 -12.612 745 HB ILE 102 HB ILE 102 -3.837 -3.326 -11.015 746 HG12 ILE 102 2HG1 ILE 102 -2.384 -2.647 -9.017 747 HG13 ILE 102 1HG1 ILE 102 -1.318 -1.882 -10.188 748 HG21 ILE 102 1HG2 ILE 102 -2.535 -5.300 -11.447 749 HG22 ILE 102 2HG2 ILE 102 -2.322 -4.849 -9.756 750 HG23 ILE 102 3HG2 ILE 102 -1.053 -4.494 -10.929 751 HD11 ILE 102 3HD1 ILE 102 -3.061 -0.394 -10.884 752 HD12 ILE 102 1HD1 ILE 102 -2.902 -0.323 -9.129 753 HD13 ILE 102 2HD1 ILE 102 -4.227 -1.226 -9.859 754 H ASP 103 H ASP 103 -1.034 -0.662 -11.911 755 HA ASP 103 HA ASP 103 1.552 -2.007 -12.072 756 HB2 ASP 103 2HB ASP 103 0.980 -0.856 -14.272 757 HB3 ASP 103 1HB ASP 103 1.140 0.658 -13.390 758 H ALA 104 H ALA 104 3.300 -0.563 -11.166 759 HA ALA 104 HA ALA 104 2.504 0.332 -8.617 760 HB1 ALA 104 1HB ALA 104 4.814 1.197 -8.419 761 HB2 ALA 104 2HB ALA 104 5.071 0.798 -10.118 762 HB3 ALA 104 3HB ALA 104 4.726 -0.483 -8.953 763 H THR 105 H THR 105 3.064 1.951 -11.660 764 HA THR 105 HA THR 105 2.949 4.619 -10.749 765 HB THR 105 HB THR 105 2.171 3.476 -13.440 766 HG1 THR 105 1HG THR 105 4.538 4.911 -12.985 767 HG21 THR 105 3HG2 THR 105 1.173 5.634 -13.193 768 HG22 THR 105 1HG2 THR 105 2.587 5.802 -14.234 769 HG23 THR 105 2HG2 THR 105 2.670 6.308 -12.546 770 H LYS 106 H LYS 106 0.484 2.431 -12.054 771 HA LYS 106 HA LYS 106 -1.680 4.195 -11.980 772 HB2 LYS 106 2HB LYS 106 -1.697 1.190 -11.621 773 HB3 LYS 106 1HB LYS 106 -3.089 2.183 -12.039 774 HG2 LYS 106 2HG LYS 106 -2.051 2.807 -14.138 775 HG3 LYS 106 1HG LYS 106 -0.604 1.889 -13.716 776 HD2 LYS 106 2HD LYS 106 -1.953 0.573 -15.217 777 HD3 LYS 106 1HD LYS 106 -2.001 -0.163 -13.615 778 HE2 LYS 106 2HE LYS 106 -4.172 0.870 -13.196 779 HE3 LYS 106 1HE LYS 106 -4.120 1.643 -14.779 780 HZ1 LYS 106 3HZ LYS 106 -4.143 -1.289 -14.305 781 HZ2 LYS 106 1HZ LYS 106 -4.146 -0.527 -15.816 782 HZ3 LYS 106 2HZ LYS 106 -5.478 -0.367 -14.784 783 H LEU 107 H LEU 107 -0.906 1.621 -9.607 784 HA LEU 107 HA LEU 107 -2.820 2.227 -7.723 785 HB2 LEU 107 2HB LEU 107 -0.621 0.546 -7.847 786 HB3 LEU 107 1HB LEU 107 -0.232 1.605 -6.509 787 HG LEU 107 HG LEU 107 -2.472 -0.371 -6.757 788 HD11 LEU 107 1HD1 LEU 107 -0.531 -1.233 -5.727 789 HD12 LEU 107 2HD1 LEU 107 -1.657 -0.876 -4.418 790 HD13 LEU 107 3HD1 LEU 107 -0.314 0.218 -4.749 791 HD21 LEU 107 3HD2 LEU 107 -3.582 1.688 -6.090 792 HD22 LEU 107 1HD2 LEU 107 -2.389 1.939 -4.817 793 HD23 LEU 107 2HD2 LEU 107 -3.495 0.570 -4.731 794 H SER 108 H SER 108 0.536 3.436 -7.793 795 HA SER 108 HA SER 108 0.307 5.225 -5.658 796 HB2 SER 108 2HB SER 108 2.088 5.388 -8.100 797 HB3 SER 108 1HB SER 108 2.305 6.328 -6.622 798 HG SER 108 HG SER 108 3.288 3.978 -7.109 799 H ARG 109 H ARG 109 -0.678 5.494 -8.982 800 HA ARG 109 HA ARG 109 -0.986 8.316 -9.022 801 HB2 ARG 109 2HB ARG 109 -0.738 6.907 -11.061 802 HB3 ARG 109 1HB ARG 109 -2.332 6.240 -10.757 803 HG2 ARG 109 2HG ARG 109 -1.946 9.190 -11.069 804 HG3 ARG 109 1HG ARG 109 -2.078 8.134 -12.477 805 HD2 ARG 109 2HD ARG 109 -4.213 7.250 -11.409 806 HD3 ARG 109 1HD ARG 109 -4.106 8.631 -10.311 807 HE ARG 109 HE ARG 109 -3.927 9.790 -12.738 808 HH11 ARG 109 1HH1 ARG 109 -6.165 7.490 -11.384 809 HH12 ARG 109 2HH1 ARG 109 -7.498 8.022 -12.353 810 HH21 ARG 109 1HH2 ARG 109 -5.675 10.496 -14.020 811 HH22 ARG 109 2HH2 ARG 109 -7.218 9.730 -13.853 812 H PHE 110 H PHE 110 -3.471 5.775 -9.180 813 HA PHE 110 HA PHE 110 -5.708 7.217 -8.656 814 HB2 PHE 110 2HB PHE 110 -4.920 4.433 -7.845 815 HB3 PHE 110 1HB PHE 110 -6.469 5.100 -7.326 816 HD1 PHE 110 1HD PHE 110 -4.453 4.127 -10.250 817 HD2 PHE 110 2HD PHE 110 -8.281 5.341 -8.842 818 HE1 PHE 110 1HE PHE 110 -5.439 3.510 -12.415 819 HE2 PHE 110 2HE PHE 110 -9.275 4.724 -11.007 820 HZ PHE 110 HZ PHE 110 -7.855 3.806 -12.796 821 H ILE 111 H ILE 111 -3.413 5.972 -6.267 822 HA ILE 111 HA ILE 111 -4.765 6.915 -3.982 823 HB ILE 111 HB ILE 111 -1.815 6.421 -4.429 824 HG12 ILE 111 2HG1 ILE 111 -3.828 4.751 -2.922 825 HG13 ILE 111 1HG1 ILE 111 -3.445 4.496 -4.616 826 HG21 ILE 111 1HG2 ILE 111 -1.640 6.384 -1.974 827 HG22 ILE 111 2HG2 ILE 111 -3.316 6.926 -1.865 828 HG23 ILE 111 3HG2 ILE 111 -2.096 7.972 -2.596 829 HD11 ILE 111 3HD1 ILE 111 -2.229 2.962 -3.174 830 HD12 ILE 111 1HD1 ILE 111 -1.492 4.328 -2.339 831 HD13 ILE 111 2HD1 ILE 111 -1.132 4.036 -4.042 832 H GLU 112 H GLU 112 -2.012 8.285 -5.775 833 HA GLU 112 HA GLU 112 -1.780 10.683 -4.410 834 HB2 GLU 112 2HB GLU 112 -0.210 9.817 -6.165 835 HB3 GLU 112 1HB GLU 112 -1.389 10.294 -7.385 836 HG2 GLU 112 2HG GLU 112 -1.183 12.624 -6.663 837 HG3 GLU 112 1HG GLU 112 0.010 12.140 -5.460 838 H ILE 113 H ILE 113 -4.236 9.574 -6.480 839 HA ILE 113 HA ILE 113 -5.221 12.200 -7.189 840 HB ILE 113 HB ILE 113 -5.713 9.440 -8.057 841 HG12 ILE 113 2HG1 ILE 113 -5.967 10.544 -10.232 842 HG13 ILE 113 1HG1 ILE 113 -5.953 12.117 -9.440 843 HG21 ILE 113 1HG2 ILE 113 -7.948 9.944 -8.986 844 HG22 ILE 113 2HG2 ILE 113 -7.995 11.396 -7.982 845 HG23 ILE 113 3HG2 ILE 113 -7.917 9.801 -7.229 846 HD11 ILE 113 3HD1 ILE 113 -3.667 11.754 -8.717 847 HD12 ILE 113 1HD1 ILE 113 -3.804 11.575 -10.465 848 HD13 ILE 113 2HD1 ILE 113 -3.679 10.146 -9.441 849 H ASN 114 H ASN 114 -6.113 9.529 -5.034 850 HA ASN 114 HA ASN 114 -8.182 11.294 -3.895 851 HB2 ASN 114 2HB ASN 114 -8.230 8.288 -4.181 852 HB3 ASN 114 1HB ASN 114 -9.383 9.205 -3.212 853 HD21 ASN 114 1HD2 ASN 114 -9.558 11.443 -4.970 854 HD22 ASN 114 2HD2 ASN 114 -10.430 10.930 -6.371 855 H SER 115 H SER 115 -5.341 11.002 -3.119 856 HA SER 115 HA SER 115 -5.387 9.627 -0.585 857 HB2 SER 115 2HB SER 115 -3.098 10.512 -0.320 858 HB3 SER 115 1HB SER 115 -3.313 9.739 -1.890 859 HG SER 115 HG SER 115 -2.917 11.580 -2.816 860 H LEU 116 H LEU 116 -7.446 11.397 -0.632 861 HA LEU 116 HA LEU 116 -6.603 13.746 0.890 862 HB2 LEU 116 2HB LEU 116 -9.347 13.051 -0.142 863 HB3 LEU 116 1HB LEU 116 -8.819 14.599 0.497 864 HG LEU 116 HG LEU 116 -7.872 13.327 -2.072 865 HD11 LEU 116 1HD1 LEU 116 -10.155 14.160 -2.212 866 HD12 LEU 116 2HD1 LEU 116 -9.057 15.172 -3.151 867 HD13 LEU 116 3HD1 LEU 116 -9.635 15.722 -1.578 868 HD21 LEU 116 3HD2 LEU 116 -7.189 15.993 -0.834 869 HD22 LEU 116 1HD2 LEU 116 -6.728 15.468 -2.454 870 HD23 LEU 116 2HD2 LEU 116 -6.097 14.625 -1.040 Start of MODEL 29 1 H GLU 1 H GLU 1 12.955 5.447 -10.627 2 HA GLU 1 HA GLU 1 15.148 7.123 -9.982 3 HB2 GLU 1 2HB GLU 1 12.659 7.730 -8.372 4 HB3 GLU 1 1HB GLU 1 14.276 8.317 -8.008 5 HG2 GLU 1 2HG GLU 1 12.711 8.949 -10.500 6 HG3 GLU 1 1HG GLU 1 12.891 10.009 -9.105 7 H VAL 2 H VAL 2 12.765 4.788 -9.129 8 HA VAL 2 HA VAL 2 14.369 3.836 -6.864 9 HB VAL 2 HB VAL 2 12.436 2.349 -6.387 10 HG11 VAL 2 1HG1 VAL 2 12.614 4.472 -5.245 11 HG12 VAL 2 2HG1 VAL 2 10.922 4.138 -5.614 12 HG13 VAL 2 3HG1 VAL 2 11.826 5.295 -6.591 13 HG21 VAL 2 3HG2 VAL 2 10.288 2.857 -7.542 14 HG22 VAL 2 1HG2 VAL 2 11.495 2.099 -8.581 15 HG23 VAL 2 2HG2 VAL 2 11.193 3.832 -8.699 16 H GLU 3 H GLU 3 14.871 3.497 -9.862 17 HA GLU 3 HA GLU 3 14.814 0.574 -10.042 18 HB2 GLU 3 2HB GLU 3 15.477 0.959 -12.423 19 HB3 GLU 3 1HB GLU 3 13.925 1.661 -11.985 20 HG2 GLU 3 2HG GLU 3 15.012 3.854 -11.742 21 HG3 GLU 3 1HG GLU 3 16.538 3.133 -12.254 22 H LYS 4 H LYS 4 16.566 -0.591 -9.646 23 HA LYS 4 HA LYS 4 18.710 -1.172 -9.156 24 HB2 LYS 4 2HB LYS 4 19.401 0.941 -11.205 25 HB3 LYS 4 1HB LYS 4 20.447 -0.363 -10.664 26 HG2 LYS 4 2HG LYS 4 17.800 -0.946 -11.934 27 HG3 LYS 4 1HG LYS 4 19.225 -0.596 -12.914 28 HD2 LYS 4 2HD LYS 4 19.331 -2.893 -12.776 29 HD3 LYS 4 1HD LYS 4 20.344 -2.424 -11.411 30 HE2 LYS 4 2HE LYS 4 18.508 -2.780 -9.880 31 HE3 LYS 4 1HE LYS 4 17.415 -3.118 -11.218 32 HZ1 LYS 4 3HZ LYS 4 18.689 -5.083 -11.745 33 HZ2 LYS 4 1HZ LYS 4 18.204 -5.141 -10.125 34 HZ3 LYS 4 2HZ LYS 4 19.800 -4.744 -10.516 35 H SER 5 H SER 5 17.603 0.620 -7.370 36 HA SER 5 HA SER 5 20.006 1.898 -6.350 37 HB2 SER 5 2HB SER 5 18.912 3.671 -7.675 38 HB3 SER 5 1HB SER 5 17.432 3.447 -6.743 39 HG SER 5 HG SER 5 19.153 5.146 -6.141 40 H SER 6 H SER 6 18.343 -0.390 -5.621 41 HA SER 6 HA SER 6 17.883 0.349 -2.841 42 HB2 SER 6 2HB SER 6 15.770 -0.980 -4.553 43 HB3 SER 6 1HB SER 6 15.680 -0.800 -2.801 44 HG SER 6 HG SER 6 15.099 1.202 -3.054 45 H ASP 7 H ASP 7 19.719 -0.910 -2.403 46 HA ASP 7 HA ASP 7 19.298 -3.812 -2.696 47 HB2 ASP 7 2HB ASP 7 21.904 -2.279 -2.748 48 HB3 ASP 7 1HB ASP 7 21.784 -4.034 -2.701 49 H GLY 8 H GLY 8 21.191 -4.815 -1.065 50 HA2 GLY 8 2HA GLY 8 21.895 -5.045 1.137 51 HA3 GLY 8 1HA GLY 8 21.199 -3.471 1.489 52 HA PRO 9 HA PRO 9 18.597 -6.553 3.770 53 HB2 PRO 9 2HB PRO 9 17.947 -4.033 5.207 54 HB3 PRO 9 1HB PRO 9 18.367 -5.622 5.856 55 HG2 PRO 9 2HG PRO 9 20.120 -3.615 5.916 56 HG3 PRO 9 1HG PRO 9 20.644 -5.275 5.587 57 HD2 PRO 9 2HD PRO 9 20.266 -2.992 3.695 58 HD3 PRO 9 1HD PRO 9 21.515 -4.254 3.703 59 H GLY 10 H GLY 10 16.996 -6.951 2.300 60 HA2 GLY 10 2HA GLY 10 15.267 -4.842 1.349 61 HA3 GLY 10 1HA GLY 10 15.152 -6.547 0.948 62 H ALA 11 H ALA 11 13.773 -4.018 2.660 63 HA ALA 11 HA ALA 11 11.653 -5.641 3.635 64 HB1 ALA 11 1HB ALA 11 11.946 -5.241 6.031 65 HB2 ALA 11 2HB ALA 11 13.501 -4.469 5.715 66 HB3 ALA 11 3HB ALA 11 13.280 -6.186 5.369 67 H ALA 12 H ALA 12 13.113 -2.710 5.011 68 HA ALA 12 HA ALA 12 12.386 -0.567 5.186 69 HB1 ALA 12 1HB ALA 12 10.705 -1.084 2.745 70 HB2 ALA 12 2HB ALA 12 12.444 -0.796 2.679 71 HB3 ALA 12 3HB ALA 12 11.364 0.453 3.308 72 H GLN 13 H GLN 13 9.408 -1.800 3.727 73 HA GLN 13 HA GLN 13 8.016 -2.111 6.188 74 HB2 GLN 13 2HB GLN 13 6.442 -0.220 5.904 75 HB3 GLN 13 1HB GLN 13 8.085 0.304 6.244 76 HG2 GLN 13 2HG GLN 13 8.420 0.779 3.865 77 HG3 GLN 13 1HG GLN 13 6.761 0.273 3.539 78 HE21 GLN 13 1HE2 GLN 13 8.085 2.855 3.122 79 HE22 GLN 13 2HE2 GLN 13 7.143 4.015 3.991 80 H GLU 14 H GLU 14 5.943 -2.977 5.913 81 HA GLU 14 HA GLU 14 5.109 -3.460 3.136 82 HB2 GLU 14 2HB GLU 14 4.675 -5.777 3.588 83 HB3 GLU 14 1HB GLU 14 6.331 -5.432 4.065 84 HG2 GLU 14 2HG GLU 14 5.531 -5.211 6.413 85 HG3 GLU 14 1HG GLU 14 3.946 -5.761 5.864 86 HA PRO 15 HA PRO 15 1.042 -2.372 4.415 87 HB2 PRO 15 2HB PRO 15 -0.518 -4.133 3.036 88 HB3 PRO 15 1HB PRO 15 0.292 -2.752 2.289 89 HG2 PRO 15 2HG PRO 15 1.103 -5.628 2.342 90 HG3 PRO 15 1HG PRO 15 1.171 -4.465 1.005 91 HD2 PRO 15 2HD PRO 15 3.347 -5.134 2.468 92 HD3 PRO 15 1HD PRO 15 3.132 -3.523 1.758 93 H THR 16 H THR 16 -0.418 -2.795 5.991 94 HA THR 16 HA THR 16 0.089 -4.843 7.847 95 HB THR 16 HB THR 16 -2.491 -3.291 7.595 96 HG1 THR 16 1HG THR 16 -0.588 -2.374 9.363 97 HG21 THR 16 3HG2 THR 16 -2.621 -3.607 10.009 98 HG22 THR 16 1HG2 THR 16 -1.093 -4.490 9.990 99 HG23 THR 16 2HG2 THR 16 -2.512 -5.165 9.191 100 H TRP 17 H TRP 17 -1.195 -6.620 8.496 101 HA TRP 17 HA TRP 17 -2.559 -7.926 6.263 102 HB2 TRP 17 2HB TRP 17 -1.518 -8.990 8.893 103 HB3 TRP 17 1HB TRP 17 -2.395 -9.966 7.719 104 HD1 TRP 17 HD TRP 17 -1.131 -9.889 5.129 105 HE1 TRP 17 1HE TRP 17 1.378 -10.217 4.658 106 HE3 TRP 17 3HE TRP 17 0.713 -8.790 9.768 107 HZ2 TRP 17 2HZ TRP 17 3.817 -10.034 6.069 108 HZ3 TRP 17 3HZ TRP 17 3.145 -8.891 10.125 109 HH2 TRP 17 HH TRP 17 4.665 -9.501 8.313 110 H LEU 18 H LEU 18 -4.592 -7.048 6.258 111 HA LEU 18 HA LEU 18 -6.161 -7.003 8.716 112 HB2 LEU 18 2HB LEU 18 -6.967 -6.205 5.917 113 HB3 LEU 18 1HB LEU 18 -7.821 -5.830 7.404 114 HG LEU 18 HG LEU 18 -5.066 -4.817 6.708 115 HD11 LEU 18 1HD1 LEU 18 -6.654 -3.834 5.211 116 HD12 LEU 18 2HD1 LEU 18 -6.200 -2.639 6.426 117 HD13 LEU 18 3HD1 LEU 18 -7.751 -3.471 6.544 118 HD21 LEU 18 3HD2 LEU 18 -5.488 -3.268 8.602 119 HD22 LEU 18 1HD2 LEU 18 -5.349 -4.959 9.083 120 HD23 LEU 18 2HD2 LEU 18 -6.935 -4.198 8.986 121 H THR 19 H THR 19 -5.958 -9.408 8.800 122 HA THR 19 HA THR 19 -7.298 -11.037 6.890 123 HB THR 19 HB THR 19 -7.048 -12.848 8.511 124 HG1 THR 19 1HG THR 19 -5.671 -11.732 10.453 125 HG21 THR 19 3HG2 THR 19 -5.113 -12.223 7.146 126 HG22 THR 19 1HG2 THR 19 -4.612 -12.807 8.733 127 HG23 THR 19 2HG2 THR 19 -4.604 -11.078 8.387 128 H ASP 20 H ASP 20 -8.546 -8.900 9.113 129 HA ASP 20 HA ASP 20 -11.123 -10.294 9.043 130 HB2 ASP 20 2HB ASP 20 -9.830 -9.114 11.502 131 HB3 ASP 20 1HB ASP 20 -11.543 -9.518 11.406 132 H VAL 21 H VAL 21 -12.934 -9.007 9.004 133 HA VAL 21 HA VAL 21 -12.757 -6.566 7.685 134 HB VAL 21 HB VAL 21 -15.091 -7.439 9.391 135 HG11 VAL 21 1HG1 VAL 21 -15.226 -5.144 8.605 136 HG12 VAL 21 2HG1 VAL 21 -16.411 -6.152 7.776 137 HG13 VAL 21 3HG1 VAL 21 -14.927 -5.676 6.951 138 HG21 VAL 21 3HG2 VAL 21 -14.495 -8.153 6.521 139 HG22 VAL 21 1HG2 VAL 21 -15.951 -8.578 7.418 140 HG23 VAL 21 2HG2 VAL 21 -14.393 -9.254 7.895 141 HA PRO 22 HA PRO 22 -13.703 -4.447 12.014 142 HB2 PRO 22 2HB PRO 22 -12.497 -5.804 14.100 143 HB3 PRO 22 1HB PRO 22 -14.222 -5.865 13.722 144 HG2 PRO 22 2HG PRO 22 -12.053 -7.794 13.004 145 HG3 PRO 22 1HG PRO 22 -13.712 -8.120 13.541 146 HD2 PRO 22 2HD PRO 22 -13.029 -8.325 10.968 147 HD3 PRO 22 1HD PRO 22 -14.611 -7.675 11.445 148 H ALA 23 H ALA 23 -10.762 -6.464 11.853 149 HA ALA 23 HA ALA 23 -9.020 -4.508 12.885 150 HB1 ALA 23 1HB ALA 23 -8.470 -6.920 12.756 151 HB2 ALA 23 2HB ALA 23 -7.216 -5.895 12.060 152 HB3 ALA 23 3HB ALA 23 -8.327 -6.767 11.003 153 H ALA 24 H ALA 24 -10.182 -5.226 9.692 154 HA ALA 24 HA ALA 24 -8.402 -3.612 8.211 155 HB1 ALA 24 1HB ALA 24 -11.237 -4.472 7.612 156 HB2 ALA 24 2HB ALA 24 -9.751 -5.269 7.092 157 HB3 ALA 24 3HB ALA 24 -10.168 -3.675 6.455 158 H MET 25 H MET 25 -11.776 -2.979 9.162 159 HA MET 25 HA MET 25 -11.818 -0.278 8.439 160 HB2 MET 25 2HB MET 25 -13.464 -1.670 10.557 161 HB3 MET 25 1HB MET 25 -13.840 -0.120 9.817 162 HG2 MET 25 2HG MET 25 -13.845 -1.398 7.598 163 HG3 MET 25 1HG MET 25 -13.918 -2.850 8.592 164 HE1 MET 25 3HE MET 25 -16.170 -3.190 6.968 165 HE2 MET 25 1HE MET 25 -16.073 -1.544 6.344 166 HE3 MET 25 2HE MET 25 -17.571 -2.124 7.072 167 H GLU 26 H GLU 26 -10.563 -1.863 11.269 168 HA GLU 26 HA GLU 26 -10.560 0.441 12.951 169 HB2 GLU 26 2HB GLU 26 -9.210 -2.233 13.056 170 HB3 GLU 26 1HB GLU 26 -8.713 -0.958 14.161 171 HG2 GLU 26 2HG GLU 26 -11.089 -0.762 14.883 172 HG3 GLU 26 1HG GLU 26 -11.441 -2.187 13.907 173 H PHE 27 H PHE 27 -8.023 -1.185 11.048 174 HA PHE 27 HA PHE 27 -6.012 0.687 11.588 175 HB2 PHE 27 2HB PHE 27 -6.431 -1.436 9.560 176 HB3 PHE 27 1HB PHE 27 -5.251 -0.190 9.160 177 HD1 PHE 27 2HD PHE 27 -3.246 0.103 10.511 178 HD2 PHE 27 1HD PHE 27 -6.018 -3.022 11.313 179 HE1 PHE 27 2HE PHE 27 -1.566 -1.021 11.915 180 HE2 PHE 27 1HE PHE 27 -4.346 -4.151 12.723 181 HZ PHE 27 HZ PHE 27 -2.116 -3.150 13.024 182 H ILE 28 H ILE 28 -8.661 0.664 9.326 183 HA ILE 28 HA ILE 28 -7.746 2.924 7.804 184 HB ILE 28 HB ILE 28 -10.390 1.497 7.999 185 HG12 ILE 28 2HG1 ILE 28 -8.650 1.961 5.578 186 HG13 ILE 28 1HG1 ILE 28 -8.391 0.603 6.672 187 HG21 ILE 28 1HG2 ILE 28 -9.793 3.995 6.424 188 HG22 ILE 28 2HG2 ILE 28 -10.968 3.819 7.725 189 HG23 ILE 28 3HG2 ILE 28 -11.215 2.982 6.196 190 HD11 ILE 28 3HD1 ILE 28 -11.025 1.121 5.328 191 HD12 ILE 28 1HD1 ILE 28 -10.477 -0.350 6.131 192 HD13 ILE 28 2HD1 ILE 28 -9.751 0.141 4.602 193 H ALA 29 H ALA 29 -9.838 2.385 10.569 194 HA ALA 29 HA ALA 29 -10.839 5.047 10.726 195 HB1 ALA 29 1HB ALA 29 -11.659 4.370 12.944 196 HB2 ALA 29 2HB ALA 29 -10.742 2.867 12.814 197 HB3 ALA 29 3HB ALA 29 -12.068 3.192 11.698 198 H ALA 30 H ALA 30 -7.947 3.477 11.738 199 HA ALA 30 HA ALA 30 -7.261 5.595 13.631 200 HB1 ALA 30 1HB ALA 30 -5.773 3.092 12.852 201 HB2 ALA 30 2HB ALA 30 -6.758 3.318 14.296 202 HB3 ALA 30 3HB ALA 30 -5.266 4.236 14.095 203 H THR 31 H THR 31 -7.538 6.192 10.802 204 HA THR 31 HA THR 31 -5.167 7.721 10.438 205 HB THR 31 HB THR 31 -4.273 5.548 9.729 206 HG1 THR 31 1HG THR 31 -3.415 7.288 8.631 207 HG21 THR 31 3HG2 THR 31 -6.513 4.674 8.972 208 HG22 THR 31 1HG2 THR 31 -5.159 4.330 7.899 209 HG23 THR 31 2HG2 THR 31 -6.290 5.619 7.499 210 H GLU 32 H GLU 32 -5.330 9.199 8.708 211 HA GLU 32 HA GLU 32 -7.994 9.920 7.986 212 HB2 GLU 32 2HB GLU 32 -5.927 11.431 8.338 213 HB3 GLU 32 1HB GLU 32 -5.506 11.005 6.684 214 HG2 GLU 32 2HG GLU 32 -7.615 11.920 5.897 215 HG3 GLU 32 1HG GLU 32 -8.069 12.316 7.555 216 H VAL 33 H VAL 33 -5.202 8.744 6.108 217 HA VAL 33 HA VAL 33 -7.088 7.876 4.013 218 HB VAL 33 HB VAL 33 -4.193 8.600 3.562 219 HG11 VAL 33 1HG1 VAL 33 -4.892 8.683 1.188 220 HG12 VAL 33 2HG1 VAL 33 -6.486 8.086 1.670 221 HG13 VAL 33 3HG1 VAL 33 -5.054 7.078 1.905 222 HG21 VAL 33 3HG2 VAL 33 -6.680 10.256 3.179 223 HG22 VAL 33 1HG2 VAL 33 -5.102 10.663 2.499 224 HG23 VAL 33 2HG2 VAL 33 -5.318 10.600 4.249 225 H ALA 34 H ALA 34 -6.974 5.779 3.343 226 HA ALA 34 HA ALA 34 -4.739 4.129 4.259 227 HB1 ALA 34 1HB ALA 34 -6.380 2.376 5.011 228 HB2 ALA 34 2HB ALA 34 -7.632 3.615 4.903 229 HB3 ALA 34 3HB ALA 34 -6.287 3.817 6.026 230 H VAL 35 H VAL 35 -4.052 2.786 2.752 231 HA VAL 35 HA VAL 35 -5.880 2.101 0.548 232 HB VAL 35 HB VAL 35 -2.900 2.549 0.514 233 HG11 VAL 35 1HG1 VAL 35 -2.971 1.861 -1.860 234 HG12 VAL 35 2HG1 VAL 35 -4.637 1.325 -1.636 235 HG13 VAL 35 3HG1 VAL 35 -3.327 0.525 -0.763 236 HG21 VAL 35 3HG2 VAL 35 -4.248 4.530 0.299 237 HG22 VAL 35 1HG2 VAL 35 -5.239 3.763 -0.942 238 HG23 VAL 35 2HG2 VAL 35 -3.546 4.144 -1.274 239 H ILE 36 H ILE 36 -6.292 0.030 0.211 240 HA ILE 36 HA ILE 36 -4.570 -1.965 1.505 241 HB ILE 36 HB ILE 36 -7.572 -1.839 1.729 242 HG12 ILE 36 2HG1 ILE 36 -5.661 -1.882 4.029 243 HG13 ILE 36 1HG1 ILE 36 -5.919 -0.374 3.162 244 HG21 ILE 36 1HG2 ILE 36 -7.259 -3.818 3.240 245 HG22 ILE 36 2HG2 ILE 36 -5.605 -3.939 2.633 246 HG23 ILE 36 3HG2 ILE 36 -6.968 -4.135 1.530 247 HD11 ILE 36 3HD1 ILE 36 -7.347 -0.432 5.059 248 HD12 ILE 36 1HD1 ILE 36 -7.972 -2.018 4.602 249 HD13 ILE 36 2HD1 ILE 36 -8.340 -0.607 3.610 250 H GLY 37 H GLY 37 -4.222 -3.784 0.408 251 HA2 GLY 37 2HA GLY 37 -5.485 -4.022 -2.224 252 HA3 GLY 37 1HA GLY 37 -3.981 -4.778 -1.739 253 H PHE 38 H PHE 38 -7.412 -5.065 -1.876 254 HA PHE 38 HA PHE 38 -7.537 -7.471 -0.263 255 HB2 PHE 38 2HB PHE 38 -9.657 -6.265 -2.057 256 HB3 PHE 38 1HB PHE 38 -9.902 -7.472 -0.800 257 HD1 PHE 38 1HD PHE 38 -8.683 -3.993 -1.283 258 HD2 PHE 38 2HD PHE 38 -10.515 -6.810 1.326 259 HE1 PHE 38 1HE PHE 38 -9.092 -2.207 0.353 260 HE2 PHE 38 2HE PHE 38 -10.928 -5.022 2.967 261 HZ PHE 38 HZ PHE 38 -10.216 -2.718 2.481 262 H PHE 39 H PHE 39 -6.194 -8.932 -1.292 263 HA PHE 39 HA PHE 39 -6.904 -9.656 -4.052 264 HB2 PHE 39 2HB PHE 39 -4.350 -10.331 -2.599 265 HB3 PHE 39 1HB PHE 39 -4.675 -10.483 -4.324 266 HD1 PHE 39 1HD PHE 39 -5.906 -7.918 -4.969 267 HD2 PHE 39 2HD PHE 39 -2.629 -8.805 -2.406 268 HE1 PHE 39 1HE PHE 39 -5.011 -5.661 -5.339 269 HE2 PHE 39 2HE PHE 39 -1.727 -6.546 -2.771 270 HZ PHE 39 HZ PHE 39 -2.919 -4.969 -4.240 271 H GLN 40 H GLN 40 -7.352 -11.725 -4.616 272 HA GLN 40 HA GLN 40 -7.937 -13.584 -2.446 273 HB2 GLN 40 2HB GLN 40 -8.489 -13.796 -5.419 274 HB3 GLN 40 1HB GLN 40 -9.067 -14.912 -4.189 275 HG2 GLN 40 2HG GLN 40 -10.394 -13.151 -3.182 276 HG3 GLN 40 1HG GLN 40 -9.782 -11.994 -4.365 277 HE21 GLN 40 1HE2 GLN 40 -11.883 -14.706 -3.821 278 HE22 GLN 40 2HE2 GLN 40 -12.756 -14.590 -5.306 279 H ASP 41 H ASP 41 -5.380 -12.754 -4.229 280 HA ASP 41 HA ASP 41 -3.950 -15.204 -3.729 281 HB2 ASP 41 2HB ASP 41 -5.050 -15.514 -6.000 282 HB3 ASP 41 1HB ASP 41 -4.068 -14.165 -6.573 283 H LEU 42 H LEU 42 -2.070 -14.516 -2.881 284 HA LEU 42 HA LEU 42 -1.188 -11.805 -3.447 285 HB2 LEU 42 2HB LEU 42 -0.133 -13.844 -1.490 286 HB3 LEU 42 1HB LEU 42 0.445 -12.193 -1.635 287 HG LEU 42 HG LEU 42 -2.346 -13.008 -0.831 288 HD11 LEU 42 1HD1 LEU 42 -0.070 -11.867 0.787 289 HD12 LEU 42 2HD1 LEU 42 -0.705 -13.509 0.893 290 HD13 LEU 42 3HD1 LEU 42 -1.712 -12.140 1.368 291 HD21 LEU 42 3HD2 LEU 42 -2.394 -10.907 -2.012 292 HD22 LEU 42 1HD2 LEU 42 -1.040 -10.298 -1.058 293 HD23 LEU 42 2HD2 LEU 42 -2.596 -10.603 -0.286 294 H GLU 43 H GLU 43 -0.960 -13.346 -5.662 295 HA GLU 43 HA GLU 43 1.954 -13.470 -5.995 296 HB2 GLU 43 2HB GLU 43 0.021 -15.468 -7.185 297 HB3 GLU 43 1HB GLU 43 1.767 -15.461 -7.379 298 HG2 GLU 43 2HG GLU 43 2.053 -15.910 -5.021 299 HG3 GLU 43 1HG GLU 43 0.308 -15.859 -4.784 300 H ILE 44 H ILE 44 -0.557 -11.766 -6.689 301 HA ILE 44 HA ILE 44 -0.283 -11.613 -9.595 302 HB ILE 44 HB ILE 44 -2.094 -9.806 -9.284 303 HG12 ILE 44 2HG1 ILE 44 -2.656 -11.218 -6.713 304 HG13 ILE 44 1HG1 ILE 44 -1.555 -9.851 -6.727 305 HG21 ILE 44 1HG2 ILE 44 -2.416 -12.125 -10.156 306 HG22 ILE 44 2HG2 ILE 44 -3.831 -11.441 -9.358 307 HG23 ILE 44 3HG2 ILE 44 -2.831 -12.626 -8.512 308 HD11 ILE 44 3HD1 ILE 44 -3.567 -8.889 -6.197 309 HD12 ILE 44 1HD1 ILE 44 -4.473 -9.935 -7.290 310 HD13 ILE 44 2HD1 ILE 44 -3.474 -8.634 -7.940 311 HA PRO 45 HA PRO 45 2.310 -8.048 -9.890 312 HB2 PRO 45 2HB PRO 45 0.059 -6.741 -11.357 313 HB3 PRO 45 1HB PRO 45 1.755 -6.895 -11.820 314 HG2 PRO 45 2HG PRO 45 -0.069 -8.439 -12.961 315 HG3 PRO 45 1HG PRO 45 1.502 -9.118 -12.486 316 HD2 PRO 45 2HD PRO 45 -1.163 -9.391 -11.156 317 HD3 PRO 45 1HD PRO 45 0.135 -10.589 -11.341 318 H ALA 46 H ALA 46 -1.020 -7.586 -8.914 319 HA ALA 46 HA ALA 46 -0.882 -4.929 -8.041 320 HB1 ALA 46 1HB ALA 46 -2.943 -5.314 -6.974 321 HB2 ALA 46 2HB ALA 46 -2.615 -7.038 -6.798 322 HB3 ALA 46 3HB ALA 46 -2.936 -6.361 -8.395 323 H VAL 47 H VAL 47 -0.098 -7.948 -6.355 324 HA VAL 47 HA VAL 47 0.068 -6.862 -3.778 325 HB VAL 47 HB VAL 47 1.854 -9.123 -4.603 326 HG11 VAL 47 1HG1 VAL 47 1.981 -8.329 -2.305 327 HG12 VAL 47 2HG1 VAL 47 1.295 -9.951 -2.371 328 HG13 VAL 47 3HG1 VAL 47 0.242 -8.559 -2.116 329 HG21 VAL 47 3HG2 VAL 47 -1.117 -9.315 -4.132 330 HG22 VAL 47 1HG2 VAL 47 -0.011 -10.667 -4.383 331 HG23 VAL 47 2HG2 VAL 47 -0.307 -9.515 -5.686 332 HA PRO 48 HA PRO 48 4.877 -6.328 -4.476 333 HB2 PRO 48 2HB PRO 48 4.963 -6.082 -7.430 334 HB3 PRO 48 1HB PRO 48 6.096 -6.884 -6.334 335 HG2 PRO 48 2HG PRO 48 4.453 -8.302 -7.881 336 HG3 PRO 48 1HG PRO 48 4.820 -8.818 -6.223 337 HD2 PRO 48 2HD PRO 48 2.383 -7.455 -7.288 338 HD3 PRO 48 1HD PRO 48 2.509 -8.757 -6.096 339 H ILE 49 H ILE 49 2.696 -4.998 -6.902 340 HA ILE 49 HA ILE 49 3.825 -2.437 -7.083 341 HB ILE 49 HB ILE 49 1.185 -3.619 -7.781 342 HG12 ILE 49 2HG1 ILE 49 2.948 -2.002 -9.565 343 HG13 ILE 49 1HG1 ILE 49 3.442 -3.628 -9.111 344 HG21 ILE 49 1HG2 ILE 49 1.755 -0.707 -7.547 345 HG22 ILE 49 2HG2 ILE 49 0.300 -1.604 -7.115 346 HG23 ILE 49 3HG2 ILE 49 0.678 -1.300 -8.811 347 HD11 ILE 49 3HD1 ILE 49 2.150 -3.303 -11.290 348 HD12 ILE 49 1HD1 ILE 49 0.735 -3.105 -10.260 349 HD13 ILE 49 2HD1 ILE 49 1.656 -4.609 -10.212 350 H LEU 50 H LEU 50 1.427 -3.799 -4.890 351 HA LEU 50 HA LEU 50 0.785 -1.280 -3.683 352 HB2 LEU 50 2HB LEU 50 -0.861 -3.019 -3.589 353 HB3 LEU 50 1HB LEU 50 0.269 -4.125 -2.841 354 HG LEU 50 HG LEU 50 0.323 -2.570 -0.853 355 HD11 LEU 50 1HD1 LEU 50 -1.515 -1.001 -0.589 356 HD12 LEU 50 2HD1 LEU 50 -2.080 -1.368 -2.219 357 HD13 LEU 50 3HD1 LEU 50 -0.523 -0.575 -1.983 358 HD21 LEU 50 3HD2 LEU 50 -1.074 -4.695 -1.111 359 HD22 LEU 50 1HD2 LEU 50 -2.448 -3.614 -1.380 360 HD23 LEU 50 2HD2 LEU 50 -1.552 -3.549 0.145 361 H HIS 51 H HIS 51 2.643 -4.123 -2.596 362 HA HIS 51 HA HIS 51 3.620 -3.081 -0.225 363 HB2 HIS 51 2HB HIS 51 4.861 -5.026 -2.176 364 HB3 HIS 51 1HB HIS 51 5.606 -4.623 -0.631 365 HD1 HIS 51 1HD HIS 51 5.190 -6.455 0.960 366 HD2 HIS 51 2HD HIS 51 1.894 -5.767 -1.474 367 HE1 HIS 51 1HE HIS 51 3.428 -8.068 1.743 368 HE2 HIS 51 2HE HIS 51 1.417 -7.580 0.307 369 H SER 52 H SER 52 4.417 -2.303 -3.483 370 HA SER 52 HA SER 52 6.909 -0.986 -2.822 371 HB2 SER 52 2HB SER 52 6.673 -2.076 -5.006 372 HB3 SER 52 1HB SER 52 5.316 -1.021 -5.400 373 HG SER 52 HG SER 52 7.070 -0.074 -6.313 374 H MET 53 H MET 53 3.621 -0.032 -3.803 375 HA MET 53 HA MET 53 4.049 2.735 -3.819 376 HB2 MET 53 2HB MET 53 1.753 2.978 -3.984 377 HB3 MET 53 1HB MET 53 1.980 1.340 -4.579 378 HG2 MET 53 2HG MET 53 0.166 1.130 -3.180 379 HG3 MET 53 1HG MET 53 1.506 0.630 -2.154 380 HE1 MET 53 3HE MET 53 -0.628 2.361 0.547 381 HE2 MET 53 1HE MET 53 0.390 0.976 0.148 382 HE3 MET 53 2HE MET 53 -1.118 1.244 -0.728 383 H VAL 54 H VAL 54 3.689 0.458 -1.269 384 HA VAL 54 HA VAL 54 2.849 1.964 0.876 385 HB VAL 54 HB VAL 54 4.897 -0.238 0.775 386 HG11 VAL 54 1HG1 VAL 54 3.574 0.972 3.192 387 HG12 VAL 54 2HG1 VAL 54 5.283 1.084 2.773 388 HG13 VAL 54 3HG1 VAL 54 4.575 -0.479 3.189 389 HG21 VAL 54 3HG2 VAL 54 1.946 -0.124 1.278 390 HG22 VAL 54 1HG2 VAL 54 2.926 -1.469 1.865 391 HG23 VAL 54 2HG2 VAL 54 2.841 -1.129 0.139 392 H GLN 55 H GLN 55 6.181 1.566 -0.309 393 HA GLN 55 HA GLN 55 7.245 3.413 1.602 394 HB2 GLN 55 2HB GLN 55 8.611 2.504 -0.911 395 HB3 GLN 55 1HB GLN 55 9.331 3.015 0.610 396 HG2 GLN 55 2HG GLN 55 8.386 0.997 1.684 397 HG3 GLN 55 1HG GLN 55 7.809 0.471 0.101 398 HE21 GLN 55 1HE2 GLN 55 9.058 -1.387 0.134 399 HE22 GLN 55 2HE2 GLN 55 10.774 -1.354 -0.070 400 H LYS 56 H LYS 56 5.520 3.774 -1.227 401 HA LYS 56 HA LYS 56 6.789 6.291 -1.990 402 HB2 LYS 56 2HB LYS 56 4.475 4.809 -3.255 403 HB3 LYS 56 1HB LYS 56 5.267 6.236 -3.911 404 HG2 LYS 56 2HG LYS 56 7.341 4.987 -4.160 405 HG3 LYS 56 1HG LYS 56 6.569 3.554 -3.479 406 HD2 LYS 56 2HD LYS 56 6.503 3.250 -5.813 407 HD3 LYS 56 1HD LYS 56 4.875 3.774 -5.370 408 HE2 LYS 56 2HE LYS 56 5.512 4.987 -7.320 409 HE3 LYS 56 1HE LYS 56 5.560 6.103 -5.955 410 HZ1 LYS 56 3HZ LYS 56 7.491 6.361 -7.386 411 HZ2 LYS 56 1HZ LYS 56 7.916 4.741 -7.144 412 HZ3 LYS 56 2HZ LYS 56 7.952 5.828 -5.849 413 H PHE 57 H PHE 57 4.185 5.062 -0.170 414 HA PHE 57 HA PHE 57 3.175 7.783 0.247 415 HB2 PHE 57 2HB PHE 57 1.583 5.345 -0.470 416 HB3 PHE 57 1HB PHE 57 0.851 6.682 0.413 417 HD1 PHE 57 1HD PHE 57 0.551 8.853 -0.646 418 HD2 PHE 57 2HD PHE 57 2.182 5.553 -2.781 419 HE1 PHE 57 1HE PHE 57 0.156 10.037 -2.767 420 HE2 PHE 57 2HE PHE 57 1.789 6.730 -4.905 421 HZ PHE 57 HZ PHE 57 0.776 8.976 -4.901 422 HA PRO 58 HA PRO 58 4.270 5.376 4.199 423 HB2 PRO 58 2HB PRO 58 5.282 7.726 5.323 424 HB3 PRO 58 1HB PRO 58 6.243 6.432 4.603 425 HG2 PRO 58 2HG PRO 58 5.323 9.006 3.399 426 HG3 PRO 58 1HG PRO 58 6.879 8.171 3.210 427 HD2 PRO 58 2HD PRO 58 5.055 8.064 1.278 428 HD3 PRO 58 1HD PRO 58 5.996 6.620 1.701 429 H GLY 59 H GLY 59 3.119 8.729 3.786 430 HA2 GLY 59 2HA GLY 59 1.702 8.992 6.159 431 HA3 GLY 59 1HA GLY 59 1.282 9.806 4.655 432 H VAL 60 H VAL 60 0.660 7.636 3.069 433 HA VAL 60 HA VAL 60 -2.012 7.093 3.807 434 HB VAL 60 HB VAL 60 -0.179 6.020 1.674 435 HG11 VAL 60 1HG1 VAL 60 -1.603 4.140 2.344 436 HG12 VAL 60 2HG1 VAL 60 -2.038 4.734 0.740 437 HG13 VAL 60 3HG1 VAL 60 -3.036 5.149 2.134 438 HG21 VAL 60 3HG2 VAL 60 -1.886 7.105 0.213 439 HG22 VAL 60 1HG2 VAL 60 -1.038 8.218 1.288 440 HG23 VAL 60 2HG2 VAL 60 -2.681 7.703 1.673 441 H SER 61 H SER 61 -2.970 5.208 4.608 442 HA SER 61 HA SER 61 -1.227 3.592 6.252 443 HB2 SER 61 2HB SER 61 -3.357 4.362 7.169 444 HB3 SER 61 1HB SER 61 -4.225 3.498 5.902 445 HG SER 61 HG SER 61 -4.218 2.185 7.675 446 H PHE 62 H PHE 62 -0.068 2.201 5.063 447 HA PHE 62 HA PHE 62 -1.018 0.771 2.826 448 HB2 PHE 62 2HB PHE 62 1.025 -0.740 3.418 449 HB3 PHE 62 1HB PHE 62 1.296 0.922 2.896 450 HD1 PHE 62 1HD PHE 62 1.314 -1.354 5.787 451 HD2 PHE 62 2HD PHE 62 2.184 2.567 4.382 452 HE1 PHE 62 1HE PHE 62 2.580 -0.902 7.845 453 HE2 PHE 62 2HE PHE 62 3.454 3.025 6.437 454 HZ PHE 62 HZ PHE 62 3.653 1.291 8.174 455 H GLY 63 H GLY 63 -2.230 -0.984 2.681 456 HA2 GLY 63 2HA GLY 63 -2.294 -2.892 4.894 457 HA3 GLY 63 1HA GLY 63 -3.814 -2.137 4.434 458 H ILE 64 H ILE 64 -3.422 -4.884 4.352 459 HA ILE 64 HA ILE 64 -4.115 -5.410 1.622 460 HB ILE 64 HB ILE 64 -1.490 -5.499 1.918 461 HG12 ILE 64 2HG1 ILE 64 -3.028 -7.628 0.428 462 HG13 ILE 64 1HG1 ILE 64 -2.745 -5.989 -0.143 463 HG21 ILE 64 1HG2 ILE 64 -1.478 -7.065 3.777 464 HG22 ILE 64 2HG2 ILE 64 -0.676 -7.758 2.368 465 HG23 ILE 64 3HG2 ILE 64 -2.310 -8.262 2.787 466 HD11 ILE 64 3HD1 ILE 64 -0.673 -8.120 0.331 467 HD12 ILE 64 1HD1 ILE 64 -0.315 -6.448 -0.102 468 HD13 ILE 64 2HD1 ILE 64 -1.210 -7.479 -1.221 469 H SER 65 H SER 65 -5.295 -7.301 1.413 470 HA SER 65 HA SER 65 -5.470 -9.078 3.720 471 HB2 SER 65 2HB SER 65 -7.140 -7.387 4.235 472 HB3 SER 65 1HB SER 65 -7.852 -7.565 2.631 473 HG SER 65 HG SER 65 -8.336 -9.751 3.211 474 H THR 66 H THR 66 -6.603 -11.044 3.316 475 HA THR 66 HA THR 66 -7.154 -11.663 0.507 476 HB THR 66 HB THR 66 -5.945 -13.828 0.723 477 HG1 THR 66 1HG THR 66 -5.101 -12.645 3.170 478 HG21 THR 66 3HG2 THR 66 -4.172 -11.430 1.173 479 HG22 THR 66 1HG2 THR 66 -4.924 -11.849 -0.366 480 HG23 THR 66 2HG2 THR 66 -3.739 -12.934 0.359 481 H ASP 67 H ASP 67 -8.106 -11.690 3.654 482 HA ASP 67 HA ASP 67 -9.387 -14.204 3.895 483 HB2 ASP 67 2HB ASP 67 -8.854 -12.680 5.807 484 HB3 ASP 67 1HB ASP 67 -10.140 -11.611 5.258 485 H SER 68 H SER 68 -11.442 -14.847 3.425 486 HA SER 68 HA SER 68 -12.731 -13.637 1.232 487 HB2 SER 68 2HB SER 68 -12.896 -16.032 1.643 488 HB3 SER 68 1HB SER 68 -13.750 -15.737 3.158 489 HG SER 68 HG SER 68 -15.523 -15.543 2.065 490 H GLU 69 H GLU 69 -13.612 -13.749 4.685 491 HA GLU 69 HA GLU 69 -16.059 -12.479 4.563 492 HB2 GLU 69 2HB GLU 69 -14.009 -12.089 6.740 493 HB3 GLU 69 1HB GLU 69 -15.749 -11.872 6.873 494 HG2 GLU 69 2HG GLU 69 -16.037 -14.284 6.388 495 HG3 GLU 69 1HG GLU 69 -14.284 -14.459 6.416 496 H VAL 70 H VAL 70 -12.843 -10.988 4.738 497 HA VAL 70 HA VAL 70 -13.872 -8.336 4.815 498 HB VAL 70 HB VAL 70 -11.117 -9.359 4.118 499 HG11 VAL 70 1HG1 VAL 70 -12.098 -6.532 4.451 500 HG12 VAL 70 2HG1 VAL 70 -11.350 -7.251 3.023 501 HG13 VAL 70 3HG1 VAL 70 -10.397 -6.993 4.484 502 HG21 VAL 70 3HG2 VAL 70 -11.439 -9.782 6.379 503 HG22 VAL 70 1HG2 VAL 70 -12.396 -8.317 6.612 504 HG23 VAL 70 2HG2 VAL 70 -10.654 -8.200 6.377 505 H LEU 71 H LEU 71 -12.328 -10.252 2.243 506 HA LEU 71 HA LEU 71 -12.631 -8.387 0.186 507 HB2 LEU 71 2HB LEU 71 -12.259 -11.340 0.307 508 HB3 LEU 71 1HB LEU 71 -12.734 -10.631 -1.225 509 HG LEU 71 HG LEU 71 -10.748 -9.326 -1.348 510 HD11 LEU 71 1HD1 LEU 71 -10.575 -8.599 0.943 511 HD12 LEU 71 2HD1 LEU 71 -9.053 -9.336 0.441 512 HD13 LEU 71 3HD1 LEU 71 -10.171 -10.234 1.467 513 HD21 LEU 71 3HD2 LEU 71 -10.510 -11.675 -1.984 514 HD22 LEU 71 1HD2 LEU 71 -10.034 -12.073 -0.332 515 HD23 LEU 71 2HD2 LEU 71 -9.009 -11.029 -1.319 516 H THR 72 H THR 72 -14.949 -10.199 1.858 517 HA THR 72 HA THR 72 -16.935 -10.067 -0.273 518 HB THR 72 HB THR 72 -17.106 -11.155 2.548 519 HG1 THR 72 1HG THR 72 -17.540 -12.904 0.518 520 HG21 THR 72 3HG2 THR 72 -19.294 -10.410 1.972 521 HG22 THR 72 1HG2 THR 72 -19.269 -12.152 1.700 522 HG23 THR 72 2HG2 THR 72 -19.153 -11.043 0.331 523 H HIS 73 H HIS 73 -16.255 -8.695 2.905 524 HA HIS 73 HA HIS 73 -18.618 -7.205 3.194 525 HB2 HIS 73 2HB HIS 73 -16.783 -7.726 4.934 526 HB3 HIS 73 1HB HIS 73 -15.954 -6.320 4.279 527 HD1 HIS 73 1HD HIS 73 -18.377 -7.272 6.770 528 HD2 HIS 73 2HD HIS 73 -17.660 -3.888 4.466 529 HE1 HIS 73 1HE HIS 73 -19.614 -5.404 7.913 530 HE2 HIS 73 2HE HIS 73 -19.107 -3.354 6.542 531 H TYR 74 H TYR 74 -15.611 -6.576 1.511 532 HA TYR 74 HA TYR 74 -16.510 -3.880 0.813 533 HB2 TYR 74 2HB TYR 74 -13.875 -5.308 0.486 534 HB3 TYR 74 1HB TYR 74 -14.206 -3.759 -0.284 535 HD1 TYR 74 1HD TYR 74 -14.295 -5.387 3.075 536 HD2 TYR 74 2HD TYR 74 -13.685 -1.811 0.854 537 HE1 TYR 74 1HE TYR 74 -13.625 -4.226 5.138 538 HE2 TYR 74 2HE TYR 74 -13.013 -0.641 2.909 539 HH TYR 74 HH TYR 74 -13.324 -0.848 5.332 540 H ASN 75 H ASN 75 -17.295 -6.731 -0.255 541 HA ASN 75 HA ASN 75 -18.122 -7.573 -2.195 542 HB2 ASN 75 2HB ASN 75 -19.154 -5.244 -2.162 543 HB3 ASN 75 1HB ASN 75 -17.919 -4.789 -3.329 544 HD21 ASN 75 1HD2 ASN 75 -19.365 -7.963 -3.238 545 HD22 ASN 75 2HD2 ASN 75 -20.245 -7.818 -4.717 546 H ILE 76 H ILE 76 -15.139 -7.114 -1.788 547 HA ILE 76 HA ILE 76 -13.862 -6.576 -4.213 548 HB ILE 76 HB ILE 76 -12.937 -8.552 -2.127 549 HG12 ILE 76 2HG1 ILE 76 -13.527 -6.405 -1.092 550 HG13 ILE 76 1HG1 ILE 76 -11.793 -6.675 -1.057 551 HG21 ILE 76 1HG2 ILE 76 -11.619 -8.725 -4.101 552 HG22 ILE 76 2HG2 ILE 76 -10.678 -7.835 -2.906 553 HG23 ILE 76 3HG2 ILE 76 -11.471 -6.975 -4.223 554 HD11 ILE 76 3HD1 ILE 76 -12.371 -4.359 -1.598 555 HD12 ILE 76 1HD1 ILE 76 -13.230 -4.918 -3.033 556 HD13 ILE 76 2HD1 ILE 76 -11.485 -5.144 -2.904 557 H THR 77 H THR 77 -14.038 -7.583 -6.103 558 HA THR 77 HA THR 77 -14.216 -10.511 -6.153 559 HB THR 77 HB THR 77 -15.890 -10.418 -7.974 560 HG1 THR 77 1HG THR 77 -15.378 -8.135 -8.484 561 HG21 THR 77 3HG2 THR 77 -16.618 -10.805 -5.669 562 HG22 THR 77 1HG2 THR 77 -17.825 -9.897 -6.581 563 HG23 THR 77 2HG2 THR 77 -16.782 -9.064 -5.428 564 H GLY 78 H GLY 78 -11.847 -9.497 -6.577 565 HA2 GLY 78 2HA GLY 78 -10.876 -10.387 -8.914 566 HA3 GLY 78 1HA GLY 78 -11.452 -8.788 -9.367 567 H ASN 79 H ASN 79 -9.852 -9.908 -6.393 568 HA ASN 79 HA ASN 79 -8.053 -9.079 -5.264 569 HB2 ASN 79 2HB ASN 79 -6.955 -8.787 -8.067 570 HB3 ASN 79 1HB ASN 79 -6.008 -8.863 -6.585 571 HD21 ASN 79 1HD2 ASN 79 -5.672 -10.815 -5.591 572 HD22 ASN 79 2HD2 ASN 79 -6.088 -12.326 -6.318 573 H THR 80 H THR 80 -10.025 -7.230 -5.606 574 HA THR 80 HA THR 80 -9.189 -4.781 -6.762 575 HB THR 80 HB THR 80 -11.299 -5.354 -4.665 576 HG1 THR 80 1HG THR 80 -12.134 -6.249 -6.411 577 HG21 THR 80 3HG2 THR 80 -12.278 -3.197 -5.291 578 HG22 THR 80 1HG2 THR 80 -10.914 -2.885 -6.363 579 HG23 THR 80 2HG2 THR 80 -10.660 -2.991 -4.623 580 H ILE 81 H ILE 81 -8.573 -2.856 -5.772 581 HA ILE 81 HA ILE 81 -7.392 -3.072 -3.073 582 HB ILE 81 HB ILE 81 -6.453 -1.415 -5.427 583 HG12 ILE 81 2HG1 ILE 81 -5.128 -3.686 -3.934 584 HG13 ILE 81 1HG1 ILE 81 -5.822 -3.786 -5.547 585 HG21 ILE 81 1HG2 ILE 81 -5.322 -1.526 -2.634 586 HG22 ILE 81 2HG2 ILE 81 -6.250 -0.188 -3.309 587 HG23 ILE 81 3HG2 ILE 81 -4.676 -0.601 -3.989 588 HD11 ILE 81 3HD1 ILE 81 -3.452 -3.608 -5.735 589 HD12 ILE 81 1HD1 ILE 81 -3.429 -2.181 -4.698 590 HD13 ILE 81 2HD1 ILE 81 -4.170 -2.097 -6.297 591 H CYS 82 H CYS 82 -8.500 -1.863 -1.637 592 HA CYS 82 HA CYS 82 -10.058 0.375 -2.711 593 HB2 CYS 82 2HB CYS 82 -10.444 -1.188 -0.169 594 HB3 CYS 82 1HB CYS 82 -11.428 0.185 -0.658 595 HG CYS 82 HG CYS 82 -12.312 -2.717 -1.114 596 H LEU 83 H LEU 83 -9.691 2.383 -2.164 597 HA LEU 83 HA LEU 83 -7.753 2.952 -0.039 598 HB2 LEU 83 2HB LEU 83 -6.911 3.954 -1.939 599 HB3 LEU 83 1HB LEU 83 -8.496 4.299 -2.595 600 HG LEU 83 HG LEU 83 -8.773 6.186 -1.117 601 HD11 LEU 83 1HD1 LEU 83 -7.257 6.852 0.547 602 HD12 LEU 83 2HD1 LEU 83 -6.028 5.707 0.003 603 HD13 LEU 83 3HD1 LEU 83 -7.490 5.120 0.796 604 HD21 LEU 83 3HD2 LEU 83 -7.623 6.645 -3.172 605 HD22 LEU 83 1HD2 LEU 83 -6.083 6.148 -2.468 606 HD23 LEU 83 2HD2 LEU 83 -6.892 7.602 -1.883 607 H PHE 84 H PHE 84 -8.960 3.101 1.793 608 HA PHE 84 HA PHE 84 -11.443 4.620 1.752 609 HB2 PHE 84 2HB PHE 84 -10.897 2.353 3.031 610 HB3 PHE 84 1HB PHE 84 -10.345 3.472 4.273 611 HD1 PHE 84 2HD PHE 84 -11.995 5.308 4.998 612 HD2 PHE 84 1HD PHE 84 -13.140 1.807 2.866 613 HE1 PHE 84 2HE PHE 84 -14.315 5.608 5.757 614 HE2 PHE 84 1HE PHE 84 -15.463 2.102 3.621 615 HZ PHE 84 HZ PHE 84 -16.053 4.004 5.070 616 H ARG 85 H ARG 85 -11.500 6.719 2.242 617 HA ARG 85 HA ARG 85 -9.201 7.878 3.681 618 HB2 ARG 85 2HB ARG 85 -11.106 9.703 2.354 619 HB3 ARG 85 1HB ARG 85 -9.348 9.733 2.393 620 HG2 ARG 85 2HG ARG 85 -9.268 7.977 0.705 621 HG3 ARG 85 1HG ARG 85 -11.039 7.944 0.663 622 HD2 ARG 85 2HD ARG 85 -9.199 10.169 -0.183 623 HD3 ARG 85 1HD ARG 85 -10.345 9.267 -1.176 624 HE ARG 85 HE ARG 85 -11.663 10.633 0.936 625 HH11 ARG 85 1HH1 ARG 85 -10.196 11.104 -2.187 626 HH12 ARG 85 2HH1 ARG 85 -11.134 12.512 -2.559 627 HH21 ARG 85 1HH2 ARG 85 -12.906 12.484 0.455 628 HH22 ARG 85 2HH2 ARG 85 -12.675 13.296 -1.059 629 H LEU 86 H LEU 86 -9.966 7.350 5.734 630 HA LEU 86 HA LEU 86 -12.211 7.441 7.064 631 HB2 LEU 86 2HB LEU 86 -10.415 7.159 8.443 632 HB3 LEU 86 1HB LEU 86 -9.540 8.518 7.768 633 HG LEU 86 HG LEU 86 -11.098 10.046 8.994 634 HD11 LEU 86 1HD1 LEU 86 -11.972 7.502 10.357 635 HD12 LEU 86 2HD1 LEU 86 -12.957 8.466 9.257 636 HD13 LEU 86 3HD1 LEU 86 -12.444 9.142 10.802 637 HD21 LEU 86 3HD2 LEU 86 -10.061 9.663 11.192 638 HD22 LEU 86 1HD2 LEU 86 -8.898 9.572 9.869 639 HD23 LEU 86 2HD2 LEU 86 -9.488 8.093 10.630 640 H VAL 87 H VAL 87 -10.483 10.538 6.626 641 HA VAL 87 HA VAL 87 -12.137 12.321 7.734 642 HB VAL 87 HB VAL 87 -11.679 13.683 5.430 643 HG11 VAL 87 1HG1 VAL 87 -10.984 14.381 7.640 644 HG12 VAL 87 2HG1 VAL 87 -9.617 14.475 6.528 645 HG13 VAL 87 3HG1 VAL 87 -9.735 13.135 7.670 646 HG21 VAL 87 3HG2 VAL 87 -9.426 12.976 4.654 647 HG22 VAL 87 1HG2 VAL 87 -10.702 11.820 4.269 648 HG23 VAL 87 2HG2 VAL 87 -9.603 11.506 5.614 649 H ASP 88 H ASP 88 -12.523 11.751 4.244 650 HA ASP 88 HA ASP 88 -15.293 12.561 4.444 651 HB2 ASP 88 2HB ASP 88 -13.441 11.996 2.144 652 HB3 ASP 88 1HB ASP 88 -15.171 12.211 1.894 653 H ASN 89 H ASN 89 -13.808 9.822 5.101 654 HA ASN 89 HA ASN 89 -14.299 7.608 5.117 655 HB2 ASN 89 2HB ASN 89 -16.196 8.570 6.387 656 HB3 ASN 89 1HB ASN 89 -17.139 8.608 4.905 657 HD21 ASN 89 1HD2 ASN 89 -15.702 6.596 7.346 658 HD22 ASN 89 2HD2 ASN 89 -16.580 5.157 6.965 659 H GLU 90 H GLU 90 -13.736 8.736 2.527 660 HA GLU 90 HA GLU 90 -15.538 7.597 0.609 661 HB2 GLU 90 2HB GLU 90 -12.702 8.580 0.261 662 HB3 GLU 90 1HB GLU 90 -13.815 8.191 -1.043 663 HG2 GLU 90 2HG GLU 90 -14.203 10.355 1.003 664 HG3 GLU 90 1HG GLU 90 -13.640 10.589 -0.649 665 H GLN 91 H GLN 91 -14.776 6.006 -1.029 666 HA GLN 91 HA GLN 91 -12.780 4.111 -0.094 667 HB2 GLN 91 2HB GLN 91 -14.965 3.453 0.956 668 HB3 GLN 91 1HB GLN 91 -15.607 3.207 -0.663 669 HG2 GLN 91 2HG GLN 91 -13.210 1.764 -0.560 670 HG3 GLN 91 1HG GLN 91 -14.036 1.450 0.965 671 HE21 GLN 91 1HE2 GLN 91 -15.706 2.200 -2.012 672 HE22 GLN 91 2HE2 GLN 91 -16.409 0.638 -2.238 673 H LEU 92 H LEU 92 -11.630 4.673 -1.960 674 HA LEU 92 HA LEU 92 -12.802 4.456 -4.573 675 HB2 LEU 92 2HB LEU 92 -9.908 4.636 -3.728 676 HB3 LEU 92 1HB LEU 92 -10.475 4.736 -5.380 677 HG LEU 92 HG LEU 92 -9.991 6.950 -4.649 678 HD11 LEU 92 1HD1 LEU 92 -11.962 6.808 -6.019 679 HD12 LEU 92 2HD1 LEU 92 -12.187 8.057 -4.793 680 HD13 LEU 92 3HD1 LEU 92 -12.966 6.486 -4.605 681 HD21 LEU 92 3HD2 LEU 92 -11.909 6.672 -2.358 682 HD22 LEU 92 1HD2 LEU 92 -10.737 7.952 -2.665 683 HD23 LEU 92 2HD2 LEU 92 -10.184 6.346 -2.189 684 H ASN 93 H ASN 93 -13.327 2.520 -5.402 685 HA ASN 93 HA ASN 93 -11.829 0.183 -4.518 686 HB2 ASN 93 2HB ASN 93 -13.688 -1.010 -5.899 687 HB3 ASN 93 1HB ASN 93 -14.087 -0.300 -4.340 688 HD21 ASN 93 1HD2 ASN 93 -15.308 1.598 -4.271 689 HD22 ASN 93 2HD2 ASN 93 -16.225 2.142 -5.630 690 H LEU 94 H LEU 94 -9.970 0.121 -5.638 691 HA LEU 94 HA LEU 94 -9.902 0.372 -8.520 692 HB2 LEU 94 2HB LEU 94 -8.066 1.022 -6.784 693 HB3 LEU 94 1HB LEU 94 -7.678 -0.685 -6.788 694 HG LEU 94 HG LEU 94 -7.771 0.713 -9.409 695 HD11 LEU 94 1HD1 LEU 94 -6.529 2.301 -8.093 696 HD12 LEU 94 2HD1 LEU 94 -5.401 1.389 -9.099 697 HD13 LEU 94 3HD1 LEU 94 -5.559 1.010 -7.383 698 HD21 LEU 94 3HD2 LEU 94 -5.969 -0.850 -9.894 699 HD22 LEU 94 1HD2 LEU 94 -7.376 -1.697 -9.252 700 HD23 LEU 94 2HD2 LEU 94 -5.979 -1.400 -8.217 701 H GLU 95 H GLU 95 -11.464 -1.319 -8.891 702 HA GLU 95 HA GLU 95 -10.907 -4.012 -8.066 703 HB2 GLU 95 2HB GLU 95 -12.973 -3.063 -10.041 704 HB3 GLU 95 1HB GLU 95 -12.950 -4.595 -9.176 705 HG2 GLU 95 2HG GLU 95 -13.361 -3.513 -7.098 706 HG3 GLU 95 1HG GLU 95 -13.153 -1.918 -7.824 707 H ASP 96 H ASP 96 -11.744 -5.487 -10.213 708 HA ASP 96 HA ASP 96 -9.402 -6.120 -11.519 709 HB2 ASP 96 2HB ASP 96 -11.284 -7.649 -11.419 710 HB3 ASP 96 1HB ASP 96 -12.242 -6.585 -12.445 711 H GLU 97 H GLU 97 -11.894 -3.829 -12.503 712 HA GLU 97 HA GLU 97 -11.124 -3.416 -15.150 713 HB2 GLU 97 2HB GLU 97 -13.171 -2.473 -14.113 714 HB3 GLU 97 1HB GLU 97 -12.171 -1.351 -13.200 715 HG2 GLU 97 2HG GLU 97 -11.380 -0.378 -15.324 716 HG3 GLU 97 1HG GLU 97 -12.467 -1.460 -16.193 717 H ASP 98 H ASP 98 -9.464 -2.767 -12.292 718 HA ASP 98 HA ASP 98 -7.468 -1.172 -13.737 719 HB2 ASP 98 2HB ASP 98 -8.425 -0.755 -10.891 720 HB3 ASP 98 1HB ASP 98 -7.046 0.070 -11.619 721 H ILE 99 H ILE 99 -8.139 -3.905 -11.832 722 HA ILE 99 HA ILE 99 -5.439 -4.184 -10.784 723 HB ILE 99 HB ILE 99 -7.880 -5.949 -10.537 724 HG12 ILE 99 2HG1 ILE 99 -7.843 -3.775 -9.295 725 HG13 ILE 99 1HG1 ILE 99 -7.989 -5.200 -8.274 726 HG21 ILE 99 1HG2 ILE 99 -6.548 -7.175 -8.812 727 HG22 ILE 99 2HG2 ILE 99 -5.115 -6.334 -9.404 728 HG23 ILE 99 3HG2 ILE 99 -6.004 -7.419 -10.472 729 HD11 ILE 99 3HD1 ILE 99 -6.492 -3.631 -7.264 730 HD12 ILE 99 1HD1 ILE 99 -5.517 -3.549 -8.732 731 HD13 ILE 99 2HD1 ILE 99 -5.574 -5.041 -7.792 732 H GLU 100 H GLU 100 -7.417 -5.416 -13.386 733 HA GLU 100 HA GLU 100 -6.041 -7.736 -14.054 734 HB2 GLU 100 2HB GLU 100 -6.951 -7.462 -16.303 735 HB3 GLU 100 1HB GLU 100 -8.166 -7.085 -15.090 736 HG2 GLU 100 2HG GLU 100 -7.741 -4.694 -15.428 737 HG3 GLU 100 1HG GLU 100 -6.558 -5.093 -16.674 738 H SER 101 H SER 101 -5.331 -4.382 -14.845 739 HA SER 101 HA SER 101 -2.683 -5.241 -15.799 740 HB2 SER 101 2HB SER 101 -4.084 -4.577 -17.730 741 HB3 SER 101 1HB SER 101 -4.348 -3.002 -16.982 742 HG SER 101 HG SER 101 -1.976 -4.086 -18.052 743 H ILE 102 H ILE 102 -3.341 -4.482 -13.177 744 HA ILE 102 HA ILE 102 -2.895 -1.765 -12.619 745 HB ILE 102 HB ILE 102 -3.861 -3.293 -10.973 746 HG12 ILE 102 2HG1 ILE 102 -2.365 -2.600 -9.015 747 HG13 ILE 102 1HG1 ILE 102 -1.307 -1.875 -10.219 748 HG21 ILE 102 1HG2 ILE 102 -2.636 -5.302 -11.362 749 HG22 ILE 102 2HG2 ILE 102 -2.311 -4.801 -9.703 750 HG23 ILE 102 3HG2 ILE 102 -1.106 -4.523 -10.961 751 HD11 ILE 102 3HD1 ILE 102 -2.723 -0.185 -9.307 752 HD12 ILE 102 1HD1 ILE 102 -4.162 -1.143 -9.653 753 HD13 ILE 102 2HD1 ILE 102 -3.204 -0.484 -10.978 754 H ASP 103 H ASP 103 -1.098 -0.612 -12.147 755 HA ASP 103 HA ASP 103 1.507 -1.944 -12.245 756 HB2 ASP 103 2HB ASP 103 0.853 0.581 -13.780 757 HB3 ASP 103 1HB ASP 103 2.422 -0.214 -13.702 758 H ALA 104 H ALA 104 3.163 -0.831 -11.069 759 HA ALA 104 HA ALA 104 2.413 0.320 -8.698 760 HB1 ALA 104 1HB ALA 104 4.974 0.752 -10.216 761 HB2 ALA 104 2HB ALA 104 4.638 -0.492 -9.009 762 HB3 ALA 104 3HB ALA 104 4.715 1.203 -8.530 763 H THR 105 H THR 105 3.017 1.893 -11.776 764 HA THR 105 HA THR 105 2.901 4.565 -10.918 765 HB THR 105 HB THR 105 2.062 3.390 -13.575 766 HG1 THR 105 1HG THR 105 4.373 4.783 -13.580 767 HG21 THR 105 3HG2 THR 105 1.087 5.556 -13.354 768 HG22 THR 105 1HG2 THR 105 2.494 5.706 -14.408 769 HG23 THR 105 2HG2 THR 105 2.593 6.228 -12.725 770 H LYS 106 H LYS 106 0.383 2.400 -12.168 771 HA LYS 106 HA LYS 106 -1.758 4.189 -12.050 772 HB2 LYS 106 2HB LYS 106 -1.796 1.180 -11.700 773 HB3 LYS 106 1HB LYS 106 -3.192 2.185 -12.067 774 HG2 LYS 106 2HG LYS 106 -2.254 2.798 -14.200 775 HG3 LYS 106 1HG LYS 106 -0.763 1.932 -13.827 776 HD2 LYS 106 2HD LYS 106 -2.051 0.527 -15.257 777 HD3 LYS 106 1HD LYS 106 -2.146 -0.159 -13.635 778 HE2 LYS 106 2HE LYS 106 -4.329 0.929 -13.324 779 HE3 LYS 106 1HE LYS 106 -4.235 1.559 -14.968 780 HZ1 LYS 106 3HZ LYS 106 -5.576 -0.419 -14.923 781 HZ2 LYS 106 1HZ LYS 106 -4.336 -1.306 -14.187 782 HZ3 LYS 106 2HZ LYS 106 -4.151 -0.743 -15.772 783 H LEU 107 H LEU 107 -1.020 1.584 -9.693 784 HA LEU 107 HA LEU 107 -2.876 2.218 -7.773 785 HB2 LEU 107 2HB LEU 107 -0.734 0.499 -7.923 786 HB3 LEU 107 1HB LEU 107 -0.244 1.583 -6.637 787 HG LEU 107 HG LEU 107 -2.489 -0.386 -6.701 788 HD11 LEU 107 1HD1 LEU 107 -0.502 -1.124 -5.647 789 HD12 LEU 107 2HD1 LEU 107 -1.640 -0.736 -4.358 790 HD13 LEU 107 3HD1 LEU 107 -0.334 0.384 -4.749 791 HD21 LEU 107 3HD2 LEU 107 -3.479 0.677 -4.703 792 HD22 LEU 107 1HD2 LEU 107 -3.656 1.661 -6.155 793 HD23 LEU 107 2HD2 LEU 107 -2.433 2.074 -4.954 794 H SER 108 H SER 108 0.494 3.377 -7.837 795 HA SER 108 HA SER 108 0.310 5.170 -5.717 796 HB2 SER 108 2HB SER 108 2.052 5.327 -8.186 797 HB3 SER 108 1HB SER 108 2.305 6.254 -6.708 798 HG SER 108 HG SER 108 3.277 4.581 -5.914 799 H ARG 109 H ARG 109 -0.671 5.485 -9.048 800 HA ARG 109 HA ARG 109 -0.984 8.301 -9.048 801 HB2 ARG 109 2HB ARG 109 -0.752 6.885 -11.099 802 HB3 ARG 109 1HB ARG 109 -2.366 6.268 -10.801 803 HG2 ARG 109 2HG ARG 109 -1.899 9.207 -11.079 804 HG3 ARG 109 1HG ARG 109 -2.042 8.175 -12.503 805 HD2 ARG 109 2HD ARG 109 -4.209 7.337 -11.533 806 HD3 ARG 109 1HD ARG 109 -4.074 8.620 -10.325 807 HE ARG 109 HE ARG 109 -3.823 9.904 -12.723 808 HH11 ARG 109 1HH1 ARG 109 -6.208 7.797 -11.304 809 HH12 ARG 109 2HH1 ARG 109 -7.533 8.507 -12.161 810 HH21 ARG 109 1HH2 ARG 109 -5.563 10.845 -13.855 811 HH22 ARG 109 2HH2 ARG 109 -7.168 10.239 -13.612 812 H PHE 110 H PHE 110 -3.477 5.764 -9.200 813 HA PHE 110 HA PHE 110 -5.710 7.207 -8.663 814 HB2 PHE 110 2HB PHE 110 -4.950 4.434 -7.755 815 HB3 PHE 110 1HB PHE 110 -6.530 5.125 -7.388 816 HD1 PHE 110 2HD PHE 110 -8.098 5.664 -9.208 817 HD2 PHE 110 1HD PHE 110 -4.413 3.668 -9.943 818 HE1 PHE 110 2HE PHE 110 -8.924 4.959 -11.416 819 HE2 PHE 110 1HE PHE 110 -5.229 2.964 -12.152 820 HZ PHE 110 HZ PHE 110 -7.489 3.608 -12.892 821 H ILE 111 H ILE 111 -3.344 6.038 -6.305 822 HA ILE 111 HA ILE 111 -4.703 6.979 -4.008 823 HB ILE 111 HB ILE 111 -1.751 6.502 -4.466 824 HG12 ILE 111 2HG1 ILE 111 -3.753 4.833 -2.941 825 HG13 ILE 111 1HG1 ILE 111 -3.347 4.555 -4.626 826 HG21 ILE 111 1HG2 ILE 111 -2.045 8.074 -2.641 827 HG22 ILE 111 2HG2 ILE 111 -1.558 6.497 -2.013 828 HG23 ILE 111 3HG2 ILE 111 -3.240 7.012 -1.893 829 HD11 ILE 111 3HD1 ILE 111 -2.124 3.049 -3.186 830 HD12 ILE 111 1HD1 ILE 111 -1.447 4.418 -2.303 831 HD13 ILE 111 2HD1 ILE 111 -1.019 4.162 -3.995 832 H GLU 112 H GLU 112 -1.937 8.328 -5.796 833 HA GLU 112 HA GLU 112 -1.707 10.748 -4.484 834 HB2 GLU 112 2HB GLU 112 -0.171 9.806 -6.256 835 HB3 GLU 112 1HB GLU 112 -1.340 10.347 -7.458 836 HG2 GLU 112 2HG GLU 112 -1.040 12.660 -6.659 837 HG3 GLU 112 1HG GLU 112 0.190 12.087 -5.534 838 H ILE 113 H ILE 113 -4.191 9.611 -6.500 839 HA ILE 113 HA ILE 113 -5.170 12.240 -7.229 840 HB ILE 113 HB ILE 113 -5.684 9.469 -8.089 841 HG12 ILE 113 2HG1 ILE 113 -5.818 10.531 -10.280 842 HG13 ILE 113 1HG1 ILE 113 -5.821 12.122 -9.529 843 HG21 ILE 113 1HG2 ILE 113 -7.871 9.936 -9.032 844 HG22 ILE 113 2HG2 ILE 113 -7.895 11.505 -8.225 845 HG23 ILE 113 3HG2 ILE 113 -7.898 10.021 -7.274 846 HD11 ILE 113 3HD1 ILE 113 -3.565 11.746 -8.702 847 HD12 ILE 113 1HD1 ILE 113 -3.642 11.560 -10.454 848 HD13 ILE 113 2HD1 ILE 113 -3.567 10.135 -9.419 849 H ASN 114 H ASN 114 -6.109 9.531 -5.121 850 HA ASN 114 HA ASN 114 -8.190 11.290 -3.989 851 HB2 ASN 114 2HB ASN 114 -8.187 8.272 -4.144 852 HB3 ASN 114 1HB ASN 114 -9.390 9.238 -3.294 853 HD21 ASN 114 1HD2 ASN 114 -8.432 7.902 -6.252 854 HD22 ASN 114 2HD2 ASN 114 -9.658 8.606 -7.243 855 H SER 115 H SER 115 -5.333 11.037 -3.192 856 HA SER 115 HA SER 115 -5.405 9.685 -0.645 857 HB2 SER 115 2HB SER 115 -3.112 10.570 -0.369 858 HB3 SER 115 1HB SER 115 -3.319 9.753 -1.919 859 HG SER 115 HG SER 115 -2.861 11.557 -2.879 860 H LEU 116 H LEU 116 -7.464 11.358 -0.581 861 HA LEU 116 HA LEU 116 -6.638 13.797 0.795 862 HB2 LEU 116 2HB LEU 116 -9.396 12.914 -0.040 863 HB3 LEU 116 1HB LEU 116 -8.948 14.497 0.570 864 HG LEU 116 HG LEU 116 -8.049 13.295 -2.049 865 HD11 LEU 116 1HD1 LEU 116 -9.951 15.559 -1.466 866 HD12 LEU 116 2HD1 LEU 116 -10.402 13.955 -2.040 867 HD13 LEU 116 3HD1 LEU 116 -9.438 15.020 -3.064 868 HD21 LEU 116 3HD2 LEU 116 -7.082 15.498 -2.490 869 HD22 LEU 116 1HD2 LEU 116 -6.333 14.736 -1.087 870 HD23 LEU 116 2HD2 LEU 116 -7.523 16.019 -0.864 Start of MODEL 30 1 H GLU 1 H GLU 1 20.040 10.910 -14.207 2 HA GLU 1 HA GLU 1 19.113 8.235 -14.331 3 HB2 GLU 1 2HB GLU 1 21.591 8.741 -15.991 4 HB3 GLU 1 1HB GLU 1 21.001 7.152 -15.518 5 HG2 GLU 1 2HG GLU 1 18.976 7.484 -16.792 6 HG3 GLU 1 1HG GLU 1 19.475 9.126 -17.200 7 H VAL 2 H VAL 2 19.360 8.660 -12.095 8 HA VAL 2 HA VAL 2 22.133 8.750 -11.120 9 HB VAL 2 HB VAL 2 21.160 9.383 -8.935 10 HG11 VAL 2 1HG1 VAL 2 20.448 11.652 -9.588 11 HG12 VAL 2 2HG1 VAL 2 20.327 11.113 -11.263 12 HG13 VAL 2 3HG1 VAL 2 21.892 11.126 -10.450 13 HG21 VAL 2 3HG2 VAL 2 18.548 9.417 -10.447 14 HG22 VAL 2 1HG2 VAL 2 18.793 10.023 -8.809 15 HG23 VAL 2 2HG2 VAL 2 18.990 8.306 -9.151 16 H GLU 3 H GLU 3 19.588 6.626 -11.628 17 HA GLU 3 HA GLU 3 20.663 4.749 -9.627 18 HB2 GLU 3 2HB GLU 3 17.833 5.003 -10.656 19 HB3 GLU 3 1HB GLU 3 18.402 3.679 -9.649 20 HG2 GLU 3 2HG GLU 3 18.941 5.267 -7.869 21 HG3 GLU 3 1HG GLU 3 18.356 6.590 -8.880 22 H LYS 4 H LYS 4 20.965 2.611 -10.241 23 HA LYS 4 HA LYS 4 20.559 1.965 -13.076 24 HB2 LYS 4 2HB LYS 4 23.116 1.522 -11.524 25 HB3 LYS 4 1HB LYS 4 22.799 0.907 -13.140 26 HG2 LYS 4 2HG LYS 4 22.847 3.824 -12.396 27 HG3 LYS 4 1HG LYS 4 24.194 2.941 -13.119 28 HD2 LYS 4 2HD LYS 4 22.841 2.458 -15.086 29 HD3 LYS 4 1HD LYS 4 21.462 3.283 -14.357 30 HE2 LYS 4 2HE LYS 4 24.106 4.562 -15.042 31 HE3 LYS 4 1HE LYS 4 22.632 4.691 -15.998 32 HZ1 LYS 4 3HZ LYS 4 22.945 6.623 -14.585 33 HZ2 LYS 4 1HZ LYS 4 22.966 5.645 -13.204 34 HZ3 LYS 4 2HZ LYS 4 21.555 5.775 -14.127 35 H SER 5 H SER 5 19.446 1.231 -10.303 36 HA SER 5 HA SER 5 19.585 -1.682 -10.700 37 HB2 SER 5 2HB SER 5 20.836 -1.085 -8.682 38 HB3 SER 5 1HB SER 5 19.441 -0.206 -8.059 39 HG SER 5 HG SER 5 18.889 -2.796 -8.771 40 H SER 6 H SER 6 17.684 -2.458 -11.299 41 HA SER 6 HA SER 6 15.276 -0.965 -11.144 42 HB2 SER 6 2HB SER 6 15.687 -3.903 -11.750 43 HB3 SER 6 1HB SER 6 14.209 -2.991 -12.055 44 HG SER 6 HG SER 6 15.069 -2.427 -13.872 45 H ASP 7 H ASP 7 14.459 -0.518 -9.185 46 HA ASP 7 HA ASP 7 14.636 -2.201 -6.926 47 HB2 ASP 7 2HB ASP 7 12.936 -0.668 -5.939 48 HB3 ASP 7 1HB ASP 7 14.307 0.178 -6.648 49 H GLY 8 H GLY 8 13.091 -3.503 -5.917 50 HA2 GLY 8 2HA GLY 8 10.525 -3.968 -7.155 51 HA3 GLY 8 1HA GLY 8 11.661 -5.288 -7.372 52 HA PRO 9 HA PRO 9 10.658 -7.041 -3.464 53 HB2 PRO 9 2HB PRO 9 13.503 -7.023 -2.646 54 HB3 PRO 9 1HB PRO 9 12.394 -8.385 -2.832 55 HG2 PRO 9 2HG PRO 9 14.348 -7.949 -4.600 56 HG3 PRO 9 1HG PRO 9 12.757 -8.540 -5.115 57 HD2 PRO 9 2HD PRO 9 13.899 -5.778 -5.287 58 HD3 PRO 9 1HD PRO 9 12.912 -6.666 -6.467 59 H GLY 10 H GLY 10 9.849 -6.152 -1.673 60 HA2 GLY 10 2HA GLY 10 11.064 -3.670 -0.673 61 HA3 GLY 10 1HA GLY 10 9.416 -4.202 -0.371 62 H ALA 11 H ALA 11 11.215 -3.295 1.631 63 HA ALA 11 HA ALA 11 11.027 -5.517 3.447 64 HB1 ALA 11 1HB ALA 11 13.398 -5.613 4.032 65 HB2 ALA 11 2HB ALA 11 13.766 -4.467 2.744 66 HB3 ALA 11 3HB ALA 11 13.138 -6.066 2.348 67 H ALA 12 H ALA 12 12.030 -2.255 2.729 68 HA ALA 12 HA ALA 12 12.562 -1.273 5.273 69 HB1 ALA 12 1HB ALA 12 11.460 0.008 2.794 70 HB2 ALA 12 2HB ALA 12 13.091 0.112 3.460 71 HB3 ALA 12 3HB ALA 12 11.754 0.934 4.267 72 H GLN 13 H GLN 13 9.525 -1.977 3.709 73 HA GLN 13 HA GLN 13 8.069 -2.004 6.120 74 HB2 GLN 13 2HB GLN 13 6.568 -0.091 5.727 75 HB3 GLN 13 1HB GLN 13 8.226 0.422 5.993 76 HG2 GLN 13 2HG GLN 13 8.493 0.618 3.528 77 HG3 GLN 13 1HG GLN 13 6.771 0.272 3.365 78 HE21 GLN 13 1HE2 GLN 13 9.154 2.585 4.368 79 HE22 GLN 13 2HE2 GLN 13 8.082 3.930 4.530 80 H GLU 14 H GLU 14 6.013 -2.894 5.861 81 HA GLU 14 HA GLU 14 5.178 -3.465 3.104 82 HB2 GLU 14 2HB GLU 14 4.760 -5.772 3.610 83 HB3 GLU 14 1HB GLU 14 6.414 -5.409 4.084 84 HG2 GLU 14 2HG GLU 14 5.658 -5.173 6.418 85 HG3 GLU 14 1HG GLU 14 4.034 -5.635 5.908 86 HA PRO 15 HA PRO 15 1.103 -2.390 4.386 87 HB2 PRO 15 2HB PRO 15 -0.442 -4.185 3.030 88 HB3 PRO 15 1HB PRO 15 0.345 -2.799 2.269 89 HG2 PRO 15 2HG PRO 15 1.184 -5.663 2.326 90 HG3 PRO 15 1HG PRO 15 1.256 -4.495 0.992 91 HD2 PRO 15 2HD PRO 15 3.421 -5.166 2.480 92 HD3 PRO 15 1HD PRO 15 3.214 -3.565 1.743 93 H THR 16 H THR 16 -0.415 -2.832 5.913 94 HA THR 16 HA THR 16 0.096 -4.854 7.810 95 HB THR 16 HB THR 16 -2.478 -3.300 7.502 96 HG1 THR 16 1HG THR 16 -0.507 -2.452 9.278 97 HG21 THR 16 3HG2 THR 16 -1.145 -4.553 9.907 98 HG22 THR 16 1HG2 THR 16 -2.595 -5.149 9.097 99 HG23 THR 16 2HG2 THR 16 -2.628 -3.599 9.935 100 H TRP 17 H TRP 17 -1.198 -6.616 8.462 101 HA TRP 17 HA TRP 17 -2.531 -7.949 6.223 102 HB2 TRP 17 2HB TRP 17 -1.553 -9.029 8.873 103 HB3 TRP 17 1HB TRP 17 -2.291 -9.995 7.598 104 HD1 TRP 17 HD TRP 17 -0.827 -9.605 5.090 105 HE1 TRP 17 1HE TRP 17 1.723 -9.847 4.820 106 HE3 TRP 17 3HE TRP 17 0.572 -8.963 9.966 107 HZ2 TRP 17 2HZ TRP 17 4.020 -9.776 6.459 108 HZ3 TRP 17 3HZ TRP 17 2.964 -9.064 10.530 109 HH2 TRP 17 HH TRP 17 4.652 -9.463 8.811 110 H LEU 18 H LEU 18 -4.576 -7.097 6.221 111 HA LEU 18 HA LEU 18 -6.139 -7.079 8.684 112 HB2 LEU 18 2HB LEU 18 -6.964 -6.248 5.902 113 HB3 LEU 18 1HB LEU 18 -7.803 -5.888 7.403 114 HG LEU 18 HG LEU 18 -5.054 -4.868 6.688 115 HD11 LEU 18 1HD1 LEU 18 -6.178 -2.694 6.414 116 HD12 LEU 18 2HD1 LEU 18 -7.735 -3.506 6.577 117 HD13 LEU 18 3HD1 LEU 18 -6.681 -3.886 5.217 118 HD21 LEU 18 3HD2 LEU 18 -6.909 -4.245 8.981 119 HD22 LEU 18 1HD2 LEU 18 -5.439 -3.348 8.602 120 HD23 LEU 18 2HD2 LEU 18 -5.341 -5.045 9.071 121 H THR 19 H THR 19 -5.934 -9.476 8.746 122 HA THR 19 HA THR 19 -7.248 -11.098 6.818 123 HB THR 19 HB THR 19 -6.991 -12.919 8.421 124 HG1 THR 19 1HG THR 19 -5.668 -11.839 10.404 125 HG21 THR 19 3HG2 THR 19 -5.041 -12.296 7.105 126 HG22 THR 19 1HG2 THR 19 -4.546 -12.814 8.716 127 HG23 THR 19 2HG2 THR 19 -4.585 -11.098 8.315 128 H ASP 20 H ASP 20 -8.554 -8.978 9.022 129 HA ASP 20 HA ASP 20 -11.114 -10.395 8.910 130 HB2 ASP 20 2HB ASP 20 -9.891 -9.240 11.419 131 HB3 ASP 20 1HB ASP 20 -11.576 -9.735 11.280 132 H VAL 21 H VAL 21 -12.943 -9.109 8.908 133 HA VAL 21 HA VAL 21 -12.771 -6.641 7.644 134 HB VAL 21 HB VAL 21 -15.091 -7.586 9.336 135 HG11 VAL 21 1HG1 VAL 21 -14.985 -5.708 6.977 136 HG12 VAL 21 2HG1 VAL 21 -15.228 -5.242 8.662 137 HG13 VAL 21 3HG1 VAL 21 -16.442 -6.219 7.833 138 HG21 VAL 21 3HG2 VAL 21 -14.447 -8.164 6.446 139 HG22 VAL 21 1HG2 VAL 21 -15.962 -8.567 7.251 140 HG23 VAL 21 2HG2 VAL 21 -14.459 -9.327 7.772 141 HA PRO 22 HA PRO 22 -13.704 -4.591 12.016 142 HB2 PRO 22 2HB PRO 22 -12.486 -5.984 14.073 143 HB3 PRO 22 1HB PRO 22 -14.213 -6.035 13.703 144 HG2 PRO 22 2HG PRO 22 -12.048 -7.951 12.933 145 HG3 PRO 22 1HG PRO 22 -13.702 -8.288 13.483 146 HD2 PRO 22 2HD PRO 22 -13.052 -8.453 10.901 147 HD3 PRO 22 1HD PRO 22 -14.624 -7.794 11.404 148 H ALA 23 H ALA 23 -10.755 -6.596 11.812 149 HA ALA 23 HA ALA 23 -9.018 -4.650 12.865 150 HB1 ALA 23 1HB ALA 23 -8.437 -7.038 12.727 151 HB2 ALA 23 2HB ALA 23 -7.210 -6.014 11.982 152 HB3 ALA 23 3HB ALA 23 -8.350 -6.901 10.970 153 H ALA 24 H ALA 24 -10.157 -5.356 9.659 154 HA ALA 24 HA ALA 24 -8.399 -3.702 8.202 155 HB1 ALA 24 1HB ALA 24 -9.735 -5.385 7.081 156 HB2 ALA 24 2HB ALA 24 -10.125 -3.795 6.425 157 HB3 ALA 24 3HB ALA 24 -11.224 -4.571 7.567 158 H MET 25 H MET 25 -11.775 -3.131 9.171 159 HA MET 25 HA MET 25 -11.884 -0.431 8.454 160 HB2 MET 25 2HB MET 25 -13.466 -1.811 10.627 161 HB3 MET 25 1HB MET 25 -13.901 -0.317 9.808 162 HG2 MET 25 2HG MET 25 -13.971 -1.634 7.671 163 HG3 MET 25 1HG MET 25 -13.795 -3.087 8.648 164 HE1 MET 25 3HE MET 25 -16.039 -0.004 7.796 165 HE2 MET 25 1HE MET 25 -15.808 0.198 9.533 166 HE3 MET 25 2HE MET 25 -17.401 -0.216 8.898 167 H GLU 26 H GLU 26 -10.544 -1.991 11.261 168 HA GLU 26 HA GLU 26 -10.552 0.328 12.929 169 HB2 GLU 26 2HB GLU 26 -9.224 -2.349 13.049 170 HB3 GLU 26 1HB GLU 26 -8.667 -1.065 14.114 171 HG2 GLU 26 2HG GLU 26 -11.073 -0.802 14.836 172 HG3 GLU 26 1HG GLU 26 -11.387 -2.315 13.985 173 H PHE 27 H PHE 27 -8.012 -1.287 11.020 174 HA PHE 27 HA PHE 27 -6.017 0.607 11.544 175 HB2 PHE 27 2HB PHE 27 -6.422 -1.524 9.520 176 HB3 PHE 27 1HB PHE 27 -5.254 -0.266 9.118 177 HD1 PHE 27 1HD PHE 27 -6.042 -3.022 11.400 178 HD2 PHE 27 2HD PHE 27 -3.196 -0.044 10.333 179 HE1 PHE 27 1HE PHE 27 -4.356 -4.138 12.801 180 HE2 PHE 27 2HE PHE 27 -1.503 -1.155 11.731 181 HZ PHE 27 HZ PHE 27 -2.082 -3.205 12.968 182 H ILE 28 H ILE 28 -8.664 0.549 9.282 183 HA ILE 28 HA ILE 28 -7.774 2.802 7.742 184 HB ILE 28 HB ILE 28 -10.418 1.378 7.972 185 HG12 ILE 28 2HG1 ILE 28 -8.654 1.777 5.555 186 HG13 ILE 28 1HG1 ILE 28 -8.452 0.421 6.666 187 HG21 ILE 28 1HG2 ILE 28 -9.809 3.843 6.352 188 HG22 ILE 28 2HG2 ILE 28 -10.998 3.684 7.643 189 HG23 ILE 28 3HG2 ILE 28 -11.226 2.822 6.124 190 HD11 ILE 28 3HD1 ILE 28 -10.563 -0.470 6.108 191 HD12 ILE 28 1HD1 ILE 28 -9.791 -0.028 4.585 192 HD13 ILE 28 2HD1 ILE 28 -11.045 1.007 5.269 193 H ALA 29 H ALA 29 -9.885 2.283 10.503 194 HA ALA 29 HA ALA 29 -10.837 4.976 10.629 195 HB1 ALA 29 1HB ALA 29 -10.920 2.752 12.669 196 HB2 ALA 29 2HB ALA 29 -12.188 3.183 11.519 197 HB3 ALA 29 3HB ALA 29 -11.758 4.298 12.816 198 H ALA 30 H ALA 30 -7.968 3.412 11.598 199 HA ALA 30 HA ALA 30 -7.358 5.412 13.647 200 HB1 ALA 30 1HB ALA 30 -5.763 3.010 12.765 201 HB2 ALA 30 2HB ALA 30 -6.871 3.056 14.135 202 HB3 ALA 30 3HB ALA 30 -5.410 4.046 14.149 203 H THR 31 H THR 31 -7.535 6.042 10.753 204 HA THR 31 HA THR 31 -5.205 7.676 10.576 205 HB THR 31 HB THR 31 -4.179 5.578 9.854 206 HG1 THR 31 1HG THR 31 -3.324 6.398 7.942 207 HG21 THR 31 3HG2 THR 31 -5.069 4.149 8.350 208 HG22 THR 31 1HG2 THR 31 -5.745 5.444 7.361 209 HG23 THR 31 2HG2 THR 31 -6.580 4.925 8.826 210 H GLU 32 H GLU 32 -5.279 9.157 8.830 211 HA GLU 32 HA GLU 32 -7.893 9.945 8.058 212 HB2 GLU 32 2HB GLU 32 -5.758 11.370 8.371 213 HB3 GLU 32 1HB GLU 32 -5.374 10.901 6.720 214 HG2 GLU 32 2HG GLU 32 -7.421 11.902 5.924 215 HG3 GLU 32 1HG GLU 32 -7.895 12.297 7.577 216 H VAL 33 H VAL 33 -5.159 8.668 6.152 217 HA VAL 33 HA VAL 33 -7.108 7.817 4.110 218 HB VAL 33 HB VAL 33 -4.217 8.514 3.603 219 HG11 VAL 33 1HG1 VAL 33 -6.520 7.993 1.723 220 HG12 VAL 33 2HG1 VAL 33 -5.134 6.932 2.005 221 HG13 VAL 33 3HG1 VAL 33 -4.898 8.506 1.242 222 HG21 VAL 33 3HG2 VAL 33 -5.368 10.521 4.260 223 HG22 VAL 33 1HG2 VAL 33 -6.705 10.155 3.170 224 HG23 VAL 33 2HG2 VAL 33 -5.115 10.552 2.516 225 H ALA 34 H ALA 34 -7.028 5.715 3.433 226 HA ALA 34 HA ALA 34 -4.806 4.039 4.341 227 HB1 ALA 34 1HB ALA 34 -6.365 3.737 6.098 228 HB2 ALA 34 2HB ALA 34 -6.480 2.303 5.072 229 HB3 ALA 34 3HB ALA 34 -7.707 3.566 4.968 230 H VAL 35 H VAL 35 -4.128 2.690 2.829 231 HA VAL 35 HA VAL 35 -5.966 2.025 0.626 232 HB VAL 35 HB VAL 35 -2.984 2.463 0.559 233 HG11 VAL 35 1HG1 VAL 35 -4.764 1.267 -1.567 234 HG12 VAL 35 2HG1 VAL 35 -3.433 0.462 -0.734 235 HG13 VAL 35 3HG1 VAL 35 -3.105 1.806 -1.826 236 HG21 VAL 35 3HG2 VAL 35 -3.620 4.092 -1.183 237 HG22 VAL 35 1HG2 VAL 35 -4.342 4.453 0.386 238 HG23 VAL 35 2HG2 VAL 35 -5.318 3.708 -0.881 239 H ILE 36 H ILE 36 -6.310 -0.059 0.205 240 HA ILE 36 HA ILE 36 -4.596 -2.041 1.520 241 HB ILE 36 HB ILE 36 -7.601 -1.941 1.723 242 HG12 ILE 36 2HG1 ILE 36 -5.731 -2.040 4.045 243 HG13 ILE 36 1HG1 ILE 36 -5.931 -0.513 3.197 244 HG21 ILE 36 1HG2 ILE 36 -6.982 -4.233 1.487 245 HG22 ILE 36 2HG2 ILE 36 -7.301 -3.941 3.197 246 HG23 ILE 36 3HG2 ILE 36 -5.637 -4.049 2.614 247 HD11 ILE 36 3HD1 ILE 36 -8.039 -2.126 4.587 248 HD12 ILE 36 1HD1 ILE 36 -8.376 -0.720 3.576 249 HD13 ILE 36 2HD1 ILE 36 -7.408 -0.540 5.039 250 H GLY 37 H GLY 37 -4.231 -3.861 0.420 251 HA2 GLY 37 2HA GLY 37 -5.432 -4.069 -2.243 252 HA3 GLY 37 1HA GLY 37 -3.938 -4.830 -1.733 253 H PHE 38 H PHE 38 -7.365 -5.125 -1.959 254 HA PHE 38 HA PHE 38 -7.515 -7.546 -0.370 255 HB2 PHE 38 2HB PHE 38 -9.606 -6.348 -2.202 256 HB3 PHE 38 1HB PHE 38 -9.865 -7.562 -0.953 257 HD1 PHE 38 1HD PHE 38 -8.615 -4.081 -1.372 258 HD2 PHE 38 2HD PHE 38 -10.581 -6.902 1.132 259 HE1 PHE 38 1HE PHE 38 -9.073 -2.306 0.263 260 HE2 PHE 38 2HE PHE 38 -11.045 -5.124 2.770 261 HZ PHE 38 HZ PHE 38 -10.289 -2.827 2.338 262 H PHE 39 H PHE 39 -6.179 -9.024 -1.360 263 HA PHE 39 HA PHE 39 -6.832 -9.737 -4.139 264 HB2 PHE 39 2HB PHE 39 -4.286 -10.389 -2.663 265 HB3 PHE 39 1HB PHE 39 -4.591 -10.531 -4.393 266 HD1 PHE 39 1HD PHE 39 -5.813 -7.984 -5.069 267 HD2 PHE 39 2HD PHE 39 -2.604 -8.836 -2.407 268 HE1 PHE 39 1HE PHE 39 -4.928 -5.717 -5.415 269 HE2 PHE 39 2HE PHE 39 -1.716 -6.568 -2.749 270 HZ PHE 39 HZ PHE 39 -2.876 -5.005 -4.254 271 H GLN 40 H GLN 40 -7.329 -11.794 -4.681 272 HA GLN 40 HA GLN 40 -7.866 -13.659 -2.512 273 HB2 GLN 40 2HB GLN 40 -8.426 -13.857 -5.482 274 HB3 GLN 40 1HB GLN 40 -8.950 -15.023 -4.275 275 HG2 GLN 40 2HG GLN 40 -10.280 -13.259 -3.191 276 HG3 GLN 40 1HG GLN 40 -9.800 -12.142 -4.467 277 HE21 GLN 40 1HE2 GLN 40 -11.717 -14.917 -3.648 278 HE22 GLN 40 2HE2 GLN 40 -12.685 -14.927 -5.079 279 H ASP 41 H ASP 41 -5.301 -12.801 -4.246 280 HA ASP 41 HA ASP 41 -3.861 -15.244 -3.750 281 HB2 ASP 41 2HB ASP 41 -4.924 -15.563 -6.030 282 HB3 ASP 41 1HB ASP 41 -3.968 -14.189 -6.589 283 H LEU 42 H LEU 42 -1.974 -14.575 -2.910 284 HA LEU 42 HA LEU 42 -1.106 -11.847 -3.430 285 HB2 LEU 42 2HB LEU 42 -0.079 -13.894 -1.467 286 HB3 LEU 42 1HB LEU 42 0.509 -12.245 -1.598 287 HG LEU 42 HG LEU 42 -2.289 -13.063 -0.819 288 HD11 LEU 42 1HD1 LEU 42 -0.036 -11.887 0.803 289 HD12 LEU 42 2HD1 LEU 42 -0.662 -13.532 0.924 290 HD13 LEU 42 3HD1 LEU 42 -1.681 -12.164 1.376 291 HD21 LEU 42 3HD2 LEU 42 -1.010 -10.342 -1.065 292 HD22 LEU 42 1HD2 LEU 42 -2.568 -10.655 -0.301 293 HD23 LEU 42 2HD2 LEU 42 -2.350 -10.975 -2.022 294 H GLU 43 H GLU 43 -0.836 -13.335 -5.658 295 HA GLU 43 HA GLU 43 2.081 -13.435 -5.957 296 HB2 GLU 43 2HB GLU 43 0.173 -15.498 -7.076 297 HB3 GLU 43 1HB GLU 43 1.897 -15.423 -7.397 298 HG2 GLU 43 2HG GLU 43 2.408 -15.917 -5.121 299 HG3 GLU 43 1HG GLU 43 0.708 -15.800 -4.667 300 H ILE 44 H ILE 44 -0.511 -11.838 -6.713 301 HA ILE 44 HA ILE 44 -0.183 -11.689 -9.608 302 HB ILE 44 HB ILE 44 -2.021 -9.896 -9.323 303 HG12 ILE 44 2HG1 ILE 44 -2.671 -11.340 -6.801 304 HG13 ILE 44 1HG1 ILE 44 -1.515 -10.018 -6.737 305 HG21 ILE 44 1HG2 ILE 44 -2.299 -12.202 -10.231 306 HG22 ILE 44 2HG2 ILE 44 -3.735 -11.560 -9.432 307 HG23 ILE 44 3HG2 ILE 44 -2.719 -12.740 -8.602 308 HD11 ILE 44 3HD1 ILE 44 -4.408 -9.960 -7.445 309 HD12 ILE 44 1HD1 ILE 44 -3.320 -8.670 -7.955 310 HD13 ILE 44 2HD1 ILE 44 -3.531 -9.016 -6.240 311 HA PRO 45 HA PRO 45 2.386 -8.112 -9.924 312 HB2 PRO 45 2HB PRO 45 0.141 -6.861 -11.448 313 HB3 PRO 45 1HB PRO 45 1.848 -6.994 -11.878 314 HG2 PRO 45 2HG PRO 45 0.068 -8.588 -13.021 315 HG3 PRO 45 1HG PRO 45 1.643 -9.230 -12.512 316 HD2 PRO 45 2HD PRO 45 -1.038 -9.540 -11.225 317 HD3 PRO 45 1HD PRO 45 0.292 -10.707 -11.357 318 H ALA 46 H ALA 46 -0.931 -7.714 -8.900 319 HA ALA 46 HA ALA 46 -0.805 -5.012 -8.108 320 HB1 ALA 46 1HB ALA 46 -2.883 -5.362 -7.066 321 HB2 ALA 46 2HB ALA 46 -2.569 -7.083 -6.845 322 HB3 ALA 46 3HB ALA 46 -2.868 -6.443 -8.462 323 H VAL 47 H VAL 47 -0.073 -8.010 -6.375 324 HA VAL 47 HA VAL 47 0.077 -6.907 -3.809 325 HB VAL 47 HB VAL 47 1.884 -9.164 -4.601 326 HG11 VAL 47 1HG1 VAL 47 1.300 -9.984 -2.375 327 HG12 VAL 47 2HG1 VAL 47 0.216 -8.614 -2.146 328 HG13 VAL 47 3HG1 VAL 47 1.954 -8.348 -2.297 329 HG21 VAL 47 3HG2 VAL 47 -0.272 -9.562 -5.714 330 HG22 VAL 47 1HG2 VAL 47 -1.093 -9.380 -4.165 331 HG23 VAL 47 2HG2 VAL 47 0.029 -10.718 -4.417 332 HA PRO 48 HA PRO 48 4.888 -6.336 -4.527 333 HB2 PRO 48 2HB PRO 48 4.942 -6.061 -7.480 334 HB3 PRO 48 1HB PRO 48 6.091 -6.869 -6.406 335 HG2 PRO 48 2HG PRO 48 4.436 -8.277 -7.950 336 HG3 PRO 48 1HG PRO 48 4.829 -8.811 -6.304 337 HD2 PRO 48 2HD PRO 48 2.366 -7.458 -7.320 338 HD3 PRO 48 1HD PRO 48 2.523 -8.770 -6.138 339 H ILE 49 H ILE 49 2.708 -4.991 -6.965 340 HA ILE 49 HA ILE 49 3.825 -2.426 -7.097 341 HB ILE 49 HB ILE 49 1.200 -3.608 -7.847 342 HG12 ILE 49 2HG1 ILE 49 2.941 -1.903 -9.568 343 HG13 ILE 49 1HG1 ILE 49 3.478 -3.526 -9.153 344 HG21 ILE 49 1HG2 ILE 49 0.283 -1.623 -7.127 345 HG22 ILE 49 2HG2 ILE 49 0.671 -1.264 -8.809 346 HG23 ILE 49 3HG2 ILE 49 1.729 -0.695 -7.517 347 HD11 ILE 49 3HD1 ILE 49 1.721 -4.526 -10.287 348 HD12 ILE 49 1HD1 ILE 49 2.198 -3.189 -11.333 349 HD13 ILE 49 2HD1 ILE 49 0.765 -3.043 -10.311 350 H LEU 50 H LEU 50 1.456 -3.831 -4.908 351 HA LEU 50 HA LEU 50 0.753 -1.332 -3.700 352 HB2 LEU 50 2HB LEU 50 -0.828 -3.135 -3.582 353 HB3 LEU 50 1HB LEU 50 0.347 -4.182 -2.818 354 HG LEU 50 HG LEU 50 0.340 -2.612 -0.852 355 HD11 LEU 50 1HD1 LEU 50 -2.125 -1.495 -2.173 356 HD12 LEU 50 2HD1 LEU 50 -0.571 -0.666 -2.079 357 HD13 LEU 50 3HD1 LEU 50 -1.459 -1.041 -0.603 358 HD21 LEU 50 3HD2 LEU 50 -1.544 -3.599 0.141 359 HD22 LEU 50 1HD2 LEU 50 -0.995 -4.766 -1.064 360 HD23 LEU 50 2HD2 LEU 50 -2.393 -3.740 -1.403 361 H HIS 51 H HIS 51 2.751 -4.099 -2.656 362 HA HIS 51 HA HIS 51 3.733 -3.034 -0.297 363 HB2 HIS 51 2HB HIS 51 5.008 -4.883 -2.313 364 HB3 HIS 51 1HB HIS 51 5.827 -4.424 -0.824 365 HD1 HIS 51 1HD HIS 51 2.307 -5.695 -1.577 366 HD2 HIS 51 2HD HIS 51 5.521 -6.407 0.956 367 HE1 HIS 51 1HE HIS 51 1.583 -7.585 -0.087 368 HE2 HIS 51 2HE HIS 51 3.516 -7.947 1.490 369 H SER 52 H SER 52 4.468 -2.256 -3.588 370 HA SER 52 HA SER 52 6.884 -0.799 -2.997 371 HB2 SER 52 2HB SER 52 5.187 -0.946 -5.500 372 HB3 SER 52 1HB SER 52 6.719 -0.080 -5.386 373 HG SER 52 HG SER 52 7.285 -2.414 -4.476 374 H MET 53 H MET 53 3.531 0.039 -3.860 375 HA MET 53 HA MET 53 3.858 2.820 -3.830 376 HB2 MET 53 2HB MET 53 1.561 2.979 -3.973 377 HB3 MET 53 1HB MET 53 1.822 1.347 -4.564 378 HG2 MET 53 2HG MET 53 0.034 1.107 -3.129 379 HG3 MET 53 1HG MET 53 1.406 0.624 -2.137 380 HE1 MET 53 3HE MET 53 -0.860 2.332 0.524 381 HE2 MET 53 1HE MET 53 0.242 0.987 0.231 382 HE3 MET 53 2HE MET 53 -1.215 1.161 -0.746 383 H VAL 54 H VAL 54 3.618 0.483 -1.311 384 HA VAL 54 HA VAL 54 2.780 1.954 0.867 385 HB VAL 54 HB VAL 54 4.856 -0.221 0.715 386 HG11 VAL 54 1HG1 VAL 54 5.252 1.080 2.721 387 HG12 VAL 54 2HG1 VAL 54 4.561 -0.492 3.132 388 HG13 VAL 54 3HG1 VAL 54 3.547 0.952 3.158 389 HG21 VAL 54 3HG2 VAL 54 1.912 -0.169 1.264 390 HG22 VAL 54 1HG2 VAL 54 2.930 -1.501 1.810 391 HG23 VAL 54 2HG2 VAL 54 2.806 -1.134 0.092 392 H GLN 55 H GLN 55 6.083 1.588 -0.384 393 HA GLN 55 HA GLN 55 7.182 3.424 1.511 394 HB2 GLN 55 2HB GLN 55 8.487 2.547 -1.045 395 HB3 GLN 55 1HB GLN 55 9.244 3.045 0.462 396 HG2 GLN 55 2HG GLN 55 8.367 1.017 1.543 397 HG3 GLN 55 1HG GLN 55 7.698 0.509 -0.008 398 HE21 GLN 55 1HE2 GLN 55 9.680 -0.795 1.684 399 HE22 GLN 55 2HE2 GLN 55 11.092 -0.988 0.709 400 H LYS 56 H LYS 56 5.390 3.792 -1.281 401 HA LYS 56 HA LYS 56 6.622 6.328 -2.053 402 HB2 LYS 56 2HB LYS 56 4.305 4.824 -3.284 403 HB3 LYS 56 1HB LYS 56 5.050 6.275 -3.939 404 HG2 LYS 56 2HG LYS 56 7.141 5.077 -4.259 405 HG3 LYS 56 1HG LYS 56 6.421 3.619 -3.571 406 HD2 LYS 56 2HD LYS 56 6.296 3.334 -5.905 407 HD3 LYS 56 1HD LYS 56 4.670 3.817 -5.410 408 HE2 LYS 56 2HE LYS 56 5.209 5.070 -7.359 409 HE3 LYS 56 1HE LYS 56 5.302 6.172 -5.985 410 HZ1 LYS 56 3HZ LYS 56 7.170 6.472 -7.482 411 HZ2 LYS 56 1HZ LYS 56 7.618 4.851 -7.297 412 HZ3 LYS 56 2HZ LYS 56 7.703 5.909 -5.980 413 H PHE 57 H PHE 57 4.089 5.067 -0.172 414 HA PHE 57 HA PHE 57 3.056 7.770 0.284 415 HB2 PHE 57 2HB PHE 57 1.455 5.324 -0.417 416 HB3 PHE 57 1HB PHE 57 0.740 6.680 0.453 417 HD1 PHE 57 1HD PHE 57 0.505 8.863 -0.633 418 HD2 PHE 57 2HD PHE 57 1.978 5.473 -2.739 419 HE1 PHE 57 1HE PHE 57 0.099 10.017 -2.769 420 HE2 PHE 57 2HE PHE 57 1.576 6.621 -4.876 421 HZ PHE 57 HZ PHE 57 0.635 8.896 -4.893 422 HA PRO 58 HA PRO 58 4.208 5.305 4.189 423 HB2 PRO 58 2HB PRO 58 5.251 7.625 5.335 424 HB3 PRO 58 1HB PRO 58 6.196 6.347 4.568 425 HG2 PRO 58 2HG PRO 58 5.250 8.947 3.436 426 HG3 PRO 58 1HG PRO 58 6.806 8.123 3.209 427 HD2 PRO 58 2HD PRO 58 4.955 8.047 1.302 428 HD3 PRO 58 1HD PRO 58 5.907 6.598 1.683 429 H GLY 59 H GLY 59 3.016 8.639 3.778 430 HA2 GLY 59 2HA GLY 59 1.648 8.887 6.193 431 HA3 GLY 59 1HA GLY 59 1.210 9.719 4.706 432 H VAL 60 H VAL 60 0.613 7.510 3.121 433 HA VAL 60 HA VAL 60 -2.065 6.983 3.861 434 HB VAL 60 HB VAL 60 -0.244 5.912 1.717 435 HG11 VAL 60 1HG1 VAL 60 -3.102 5.042 2.171 436 HG12 VAL 60 2HG1 VAL 60 -1.676 4.035 2.421 437 HG13 VAL 60 3HG1 VAL 60 -2.082 4.602 0.801 438 HG21 VAL 60 3HG2 VAL 60 -2.762 7.573 1.716 439 HG22 VAL 60 1HG2 VAL 60 -1.947 6.994 0.261 440 HG23 VAL 60 2HG2 VAL 60 -1.123 8.113 1.347 441 H SER 61 H SER 61 -3.020 5.121 4.698 442 HA SER 61 HA SER 61 -1.273 3.498 6.320 443 HB2 SER 61 2HB SER 61 -3.412 4.265 7.232 444 HB3 SER 61 1HB SER 61 -4.273 3.380 5.973 445 HG SER 61 HG SER 61 -3.894 2.383 8.187 446 H PHE 62 H PHE 62 -0.099 2.155 5.071 447 HA PHE 62 HA PHE 62 -1.037 0.722 2.845 448 HB2 PHE 62 2HB PHE 62 0.992 -0.804 3.450 449 HB3 PHE 62 1HB PHE 62 1.278 0.858 2.938 450 HD1 PHE 62 1HD PHE 62 1.205 -1.411 5.838 451 HD2 PHE 62 2HD PHE 62 2.209 2.473 4.419 452 HE1 PHE 62 1HE PHE 62 2.450 -0.978 7.915 453 HE2 PHE 62 2HE PHE 62 3.457 2.912 6.493 454 HZ PHE 62 HZ PHE 62 3.578 1.185 8.245 455 H GLY 63 H GLY 63 -2.254 -1.029 2.679 456 HA2 GLY 63 2HA GLY 63 -2.351 -2.941 4.891 457 HA3 GLY 63 1HA GLY 63 -3.861 -2.190 4.398 458 H ILE 64 H ILE 64 -3.458 -4.939 4.332 459 HA ILE 64 HA ILE 64 -4.115 -5.470 1.595 460 HB ILE 64 HB ILE 64 -1.496 -5.532 1.898 461 HG12 ILE 64 2HG1 ILE 64 -3.008 -7.693 0.430 462 HG13 ILE 64 1HG1 ILE 64 -2.724 -6.061 -0.163 463 HG21 ILE 64 1HG2 ILE 64 -2.272 -8.304 2.787 464 HG22 ILE 64 2HG2 ILE 64 -1.483 -7.081 3.782 465 HG23 ILE 64 3HG2 ILE 64 -0.642 -7.762 2.390 466 HD11 ILE 64 3HD1 ILE 64 -1.171 -7.525 -1.216 467 HD12 ILE 64 1HD1 ILE 64 -0.673 -8.202 0.332 468 HD13 ILE 64 2HD1 ILE 64 -0.282 -6.528 -0.064 469 H SER 65 H SER 65 -5.298 -7.351 1.382 470 HA SER 65 HA SER 65 -5.449 -9.167 3.655 471 HB2 SER 65 2HB SER 65 -7.096 -7.496 4.269 472 HB3 SER 65 1HB SER 65 -7.835 -7.589 2.669 473 HG SER 65 HG SER 65 -8.968 -8.827 4.239 474 H THR 66 H THR 66 -6.520 -11.130 3.230 475 HA THR 66 HA THR 66 -7.153 -11.681 0.419 476 HB THR 66 HB THR 66 -5.962 -13.833 0.545 477 HG1 THR 66 1HG THR 66 -4.735 -14.344 2.312 478 HG21 THR 66 3HG2 THR 66 -4.127 -11.542 1.228 479 HG22 THR 66 1HG2 THR 66 -4.866 -11.783 -0.356 480 HG23 THR 66 2HG2 THR 66 -3.738 -12.979 0.285 481 H ASP 67 H ASP 67 -8.114 -11.703 3.546 482 HA ASP 67 HA ASP 67 -9.406 -14.207 3.814 483 HB2 ASP 67 2HB ASP 67 -8.894 -12.748 5.733 484 HB3 ASP 67 1HB ASP 67 -10.051 -11.562 5.138 485 H SER 68 H SER 68 -11.493 -14.833 3.407 486 HA SER 68 HA SER 68 -12.780 -13.667 1.181 487 HB2 SER 68 2HB SER 68 -13.819 -15.711 3.156 488 HB3 SER 68 1HB SER 68 -14.562 -15.327 1.603 489 HG SER 68 HG SER 68 -12.328 -15.873 0.772 490 H GLU 69 H GLU 69 -13.698 -13.751 4.630 491 HA GLU 69 HA GLU 69 -16.108 -12.427 4.488 492 HB2 GLU 69 2HB GLU 69 -14.053 -12.053 6.664 493 HB3 GLU 69 1HB GLU 69 -15.784 -11.776 6.793 494 HG2 GLU 69 2HG GLU 69 -16.170 -14.173 6.380 495 HG3 GLU 69 1HG GLU 69 -14.425 -14.423 6.350 496 H VAL 70 H VAL 70 -12.869 -11.005 4.640 497 HA VAL 70 HA VAL 70 -13.825 -8.328 4.707 498 HB VAL 70 HB VAL 70 -11.109 -9.443 4.003 499 HG11 VAL 70 1HG1 VAL 70 -10.309 -7.100 4.341 500 HG12 VAL 70 2HG1 VAL 70 -11.994 -6.582 4.310 501 HG13 VAL 70 3HG1 VAL 70 -11.278 -7.343 2.887 502 HG21 VAL 70 3HG2 VAL 70 -11.429 -9.831 6.269 503 HG22 VAL 70 1HG2 VAL 70 -12.346 -8.341 6.492 504 HG23 VAL 70 2HG2 VAL 70 -10.601 -8.271 6.249 505 H LEU 71 H LEU 71 -12.329 -10.283 2.135 506 HA LEU 71 HA LEU 71 -12.612 -8.421 0.076 507 HB2 LEU 71 2HB LEU 71 -12.283 -11.378 0.205 508 HB3 LEU 71 1HB LEU 71 -12.737 -10.662 -1.330 509 HG LEU 71 HG LEU 71 -10.729 -9.392 -1.445 510 HD11 LEU 71 1HD1 LEU 71 -9.049 -9.413 0.356 511 HD12 LEU 71 2HD1 LEU 71 -10.186 -10.289 1.379 512 HD13 LEU 71 3HD1 LEU 71 -10.565 -8.653 0.841 513 HD21 LEU 71 3HD2 LEU 71 -10.098 -12.158 -0.429 514 HD22 LEU 71 1HD2 LEU 71 -9.000 -11.128 -1.348 515 HD23 LEU 71 2HD2 LEU 71 -10.487 -11.719 -2.092 516 H THR 72 H THR 72 -14.956 -10.184 1.762 517 HA THR 72 HA THR 72 -16.946 -10.050 -0.364 518 HB THR 72 HB THR 72 -17.147 -11.058 2.484 519 HG1 THR 72 1HG THR 72 -17.339 -13.101 1.302 520 HG21 THR 72 3HG2 THR 72 -19.309 -12.072 1.602 521 HG22 THR 72 1HG2 THR 72 -19.163 -10.955 0.244 522 HG23 THR 72 2HG2 THR 72 -19.323 -10.331 1.887 523 H HIS 73 H HIS 73 -16.247 -8.641 2.797 524 HA HIS 73 HA HIS 73 -18.564 -7.088 3.061 525 HB2 HIS 73 2HB HIS 73 -16.956 -7.537 4.898 526 HB3 HIS 73 1HB HIS 73 -15.791 -6.479 4.108 527 HD1 HIS 73 1HD HIS 73 -15.766 -4.190 5.023 528 HD2 HIS 73 2HD HIS 73 -19.493 -5.977 5.455 529 HE1 HIS 73 1HE HIS 73 -17.177 -2.515 6.260 530 HE2 HIS 73 2HE HIS 73 -19.448 -3.591 6.451 531 H TYR 74 H TYR 74 -15.532 -6.536 1.381 532 HA TYR 74 HA TYR 74 -16.392 -3.853 0.597 533 HB2 TYR 74 2HB TYR 74 -13.785 -5.338 0.333 534 HB3 TYR 74 1HB TYR 74 -14.080 -3.818 -0.506 535 HD1 TYR 74 2HD TYR 74 -14.018 -5.353 2.880 536 HD2 TYR 74 1HD TYR 74 -13.740 -1.779 0.590 537 HE1 TYR 74 2HE TYR 74 -13.346 -4.120 4.899 538 HE2 TYR 74 1HE TYR 74 -13.068 -0.535 2.603 539 HH TYR 74 HH TYR 74 -12.129 -2.063 5.482 540 H ASN 75 H ASN 75 -17.292 -6.675 -0.393 541 HA ASN 75 HA ASN 75 -18.055 -7.600 -2.323 542 HB2 ASN 75 2HB ASN 75 -17.981 -4.701 -3.161 543 HB3 ASN 75 1HB ASN 75 -18.730 -5.980 -4.113 544 HD21 ASN 75 1HD2 ASN 75 -19.915 -3.614 -2.903 545 HD22 ASN 75 2HD2 ASN 75 -21.163 -4.186 -1.853 546 H ILE 76 H ILE 76 -15.095 -7.171 -1.931 547 HA ILE 76 HA ILE 76 -13.812 -6.627 -4.353 548 HB ILE 76 HB ILE 76 -12.897 -8.611 -2.270 549 HG12 ILE 76 2HG1 ILE 76 -13.490 -6.477 -1.223 550 HG13 ILE 76 1HG1 ILE 76 -11.753 -6.731 -1.195 551 HG21 ILE 76 1HG2 ILE 76 -11.397 -7.003 -4.322 552 HG22 ILE 76 2HG2 ILE 76 -11.592 -8.754 -4.274 553 HG23 ILE 76 3HG2 ILE 76 -10.641 -7.938 -3.035 554 HD11 ILE 76 3HD1 ILE 76 -11.475 -5.195 -3.048 555 HD12 ILE 76 1HD1 ILE 76 -12.346 -4.422 -1.726 556 HD13 ILE 76 2HD1 ILE 76 -13.221 -4.979 -3.153 557 H THR 77 H THR 77 -13.914 -7.647 -6.243 558 HA THR 77 HA THR 77 -14.125 -10.568 -6.294 559 HB THR 77 HB THR 77 -15.778 -10.423 -8.173 560 HG1 THR 77 1HG THR 77 -15.326 -8.080 -8.487 561 HG21 THR 77 3HG2 THR 77 -17.730 -9.996 -6.722 562 HG22 THR 77 1HG2 THR 77 -16.649 -9.334 -5.496 563 HG23 THR 77 2HG2 THR 77 -16.528 -11.033 -5.953 564 H GLY 78 H GLY 78 -11.766 -9.513 -6.710 565 HA2 GLY 78 2HA GLY 78 -10.780 -10.417 -9.043 566 HA3 GLY 78 1HA GLY 78 -11.352 -8.819 -9.497 567 H ASN 79 H ASN 79 -9.769 -9.962 -6.521 568 HA ASN 79 HA ASN 79 -7.984 -9.129 -5.370 569 HB2 ASN 79 2HB ASN 79 -6.859 -8.829 -8.160 570 HB3 ASN 79 1HB ASN 79 -5.927 -8.923 -6.669 571 HD21 ASN 79 1HD2 ASN 79 -5.698 -10.890 -5.631 572 HD22 ASN 79 2HD2 ASN 79 -6.090 -12.391 -6.391 573 H THR 80 H THR 80 -9.949 -7.275 -5.714 574 HA THR 80 HA THR 80 -9.104 -4.823 -6.858 575 HB THR 80 HB THR 80 -11.240 -5.404 -4.794 576 HG1 THR 80 1HG THR 80 -11.082 -5.828 -7.447 577 HG21 THR 80 3HG2 THR 80 -10.604 -3.045 -4.719 578 HG22 THR 80 1HG2 THR 80 -12.207 -3.238 -5.427 579 HG23 THR 80 2HG2 THR 80 -10.816 -2.922 -6.463 580 H ILE 81 H ILE 81 -8.534 -2.891 -5.844 581 HA ILE 81 HA ILE 81 -7.368 -3.113 -3.141 582 HB ILE 81 HB ILE 81 -6.432 -1.462 -5.498 583 HG12 ILE 81 2HG1 ILE 81 -5.101 -3.687 -3.941 584 HG13 ILE 81 1HG1 ILE 81 -5.740 -3.810 -5.575 585 HG21 ILE 81 1HG2 ILE 81 -4.686 -0.593 -4.044 586 HG22 ILE 81 2HG2 ILE 81 -5.363 -1.481 -2.678 587 HG23 ILE 81 3HG2 ILE 81 -6.283 -0.173 -3.425 588 HD11 ILE 81 3HD1 ILE 81 -4.092 -2.094 -6.276 589 HD12 ILE 81 1HD1 ILE 81 -3.373 -3.596 -5.692 590 HD13 ILE 81 2HD1 ILE 81 -3.398 -2.171 -4.655 591 H CYS 82 H CYS 82 -8.462 -1.902 -1.694 592 HA CYS 82 HA CYS 82 -10.061 0.315 -2.763 593 HB2 CYS 82 2HB CYS 82 -10.419 -1.243 -0.212 594 HB3 CYS 82 1HB CYS 82 -11.433 0.101 -0.720 595 HG CYS 82 HG CYS 82 -12.877 -1.167 -2.500 596 H LEU 83 H LEU 83 -9.815 2.333 -2.126 597 HA LEU 83 HA LEU 83 -7.857 2.905 -0.012 598 HB2 LEU 83 2HB LEU 83 -6.993 3.882 -1.915 599 HB3 LEU 83 1HB LEU 83 -8.569 4.253 -2.575 600 HG LEU 83 HG LEU 83 -8.821 6.150 -1.118 601 HD11 LEU 83 1HD1 LEU 83 -6.114 5.646 0.072 602 HD12 LEU 83 2HD1 LEU 83 -7.591 5.042 0.822 603 HD13 LEU 83 3HD1 LEU 83 -7.364 6.778 0.599 604 HD21 LEU 83 3HD2 LEU 83 -7.645 6.656 -3.110 605 HD22 LEU 83 1HD2 LEU 83 -6.137 6.004 -2.465 606 HD23 LEU 83 2HD2 LEU 83 -6.812 7.491 -1.799 607 H PHE 84 H PHE 84 -9.023 3.162 1.826 608 HA PHE 84 HA PHE 84 -11.515 4.685 1.722 609 HB2 PHE 84 2HB PHE 84 -11.193 2.427 2.974 610 HB3 PHE 84 1HB PHE 84 -10.406 3.409 4.204 611 HD1 PHE 84 1HD PHE 84 -11.770 5.477 5.033 612 HD2 PHE 84 2HD PHE 84 -13.467 2.106 3.068 613 HE1 PHE 84 1HE PHE 84 -13.967 6.028 5.995 614 HE2 PHE 84 2HE PHE 84 -15.668 2.650 4.026 615 HZ PHE 84 HZ PHE 84 -15.920 4.614 5.489 616 H ARG 85 H ARG 85 -11.558 6.768 2.234 617 HA ARG 85 HA ARG 85 -9.269 7.888 3.709 618 HB2 ARG 85 2HB ARG 85 -11.152 9.742 2.388 619 HB3 ARG 85 1HB ARG 85 -9.395 9.763 2.447 620 HG2 ARG 85 2HG ARG 85 -9.312 8.013 0.745 621 HG3 ARG 85 1HG ARG 85 -11.082 8.023 0.666 622 HD2 ARG 85 2HD ARG 85 -9.192 10.251 -0.076 623 HD3 ARG 85 1HD ARG 85 -10.261 9.342 -1.145 624 HE ARG 85 HE ARG 85 -11.782 10.624 0.849 625 HH11 ARG 85 1HH1 ARG 85 -9.917 11.320 -2.009 626 HH12 ARG 85 2HH1 ARG 85 -10.812 12.750 -2.404 627 HH21 ARG 85 1HH2 ARG 85 -12.969 12.505 0.335 628 HH22 ARG 85 2HH2 ARG 85 -12.547 13.423 -1.071 629 H LEU 86 H LEU 86 -9.854 7.623 5.776 630 HA LEU 86 HA LEU 86 -12.207 7.656 7.074 631 HB2 LEU 86 2HB LEU 86 -10.417 7.219 8.433 632 HB3 LEU 86 1HB LEU 86 -9.478 8.562 7.814 633 HG LEU 86 HG LEU 86 -10.990 10.106 9.091 634 HD11 LEU 86 1HD1 LEU 86 -12.900 8.618 9.330 635 HD12 LEU 86 2HD1 LEU 86 -12.317 9.146 10.908 636 HD13 LEU 86 3HD1 LEU 86 -11.940 7.524 10.327 637 HD21 LEU 86 3HD2 LEU 86 -9.947 9.608 11.270 638 HD22 LEU 86 1HD2 LEU 86 -8.801 9.554 9.930 639 HD23 LEU 86 2HD2 LEU 86 -9.410 8.053 10.631 640 H VAL 87 H VAL 87 -10.330 10.602 6.386 641 HA VAL 87 HA VAL 87 -11.827 12.514 7.604 642 HB VAL 87 HB VAL 87 -11.325 13.789 5.248 643 HG11 VAL 87 1HG1 VAL 87 -9.214 14.506 6.324 644 HG12 VAL 87 2HG1 VAL 87 -9.437 13.238 7.531 645 HG13 VAL 87 3HG1 VAL 87 -10.603 14.557 7.410 646 HG21 VAL 87 3HG2 VAL 87 -9.113 12.946 4.500 647 HG22 VAL 87 1HG2 VAL 87 -10.446 11.838 4.162 648 HG23 VAL 87 2HG2 VAL 87 -9.356 11.524 5.518 649 H ASP 88 H ASP 88 -12.299 11.814 4.144 650 HA ASP 88 HA ASP 88 -15.016 12.822 4.367 651 HB2 ASP 88 2HB ASP 88 -13.212 12.203 2.044 652 HB3 ASP 88 1HB ASP 88 -14.930 12.521 1.813 653 H ASN 89 H ASN 89 -13.959 10.108 5.265 654 HA ASN 89 HA ASN 89 -14.550 7.904 5.223 655 HB2 ASN 89 2HB ASN 89 -16.873 7.546 5.638 656 HB3 ASN 89 1HB ASN 89 -16.456 9.116 6.321 657 HD21 ASN 89 1HD2 ASN 89 -17.262 10.977 5.389 658 HD22 ASN 89 2HD2 ASN 89 -18.560 10.955 4.247 659 H GLU 90 H GLU 90 -13.810 8.932 2.593 660 HA GLU 90 HA GLU 90 -15.620 7.803 0.673 661 HB2 GLU 90 2HB GLU 90 -12.750 8.687 0.354 662 HB3 GLU 90 1HB GLU 90 -13.836 8.270 -0.961 663 HG2 GLU 90 2HG GLU 90 -14.222 10.532 0.978 664 HG3 GLU 90 1HG GLU 90 -13.614 10.677 -0.670 665 H GLN 91 H GLN 91 -14.955 6.119 -0.870 666 HA GLN 91 HA GLN 91 -13.013 4.189 0.097 667 HB2 GLN 91 2HB GLN 91 -15.108 3.582 1.257 668 HB3 GLN 91 1HB GLN 91 -15.918 3.447 -0.296 669 HG2 GLN 91 2HG GLN 91 -13.562 1.835 -0.321 670 HG3 GLN 91 1HG GLN 91 -14.515 1.462 1.113 671 HE21 GLN 91 1HE2 GLN 91 -15.046 -0.578 0.330 672 HE22 GLN 91 2HE2 GLN 91 -16.187 -0.804 -0.949 673 H LEU 92 H LEU 92 -11.910 4.694 -1.831 674 HA LEU 92 HA LEU 92 -13.163 4.362 -4.390 675 HB2 LEU 92 2HB LEU 92 -10.225 4.521 -3.692 676 HB3 LEU 92 1HB LEU 92 -10.900 4.652 -5.301 677 HG LEU 92 HG LEU 92 -10.397 6.852 -4.692 678 HD11 LEU 92 1HD1 LEU 92 -12.610 6.707 -5.648 679 HD12 LEU 92 2HD1 LEU 92 -12.557 7.984 -4.433 680 HD13 LEU 92 3HD1 LEU 92 -13.310 6.436 -4.052 681 HD21 LEU 92 3HD2 LEU 92 -10.649 7.837 -2.608 682 HD22 LEU 92 1HD2 LEU 92 -10.168 6.188 -2.218 683 HD23 LEU 92 2HD2 LEU 92 -11.861 6.668 -2.086 684 H ASN 93 H ASN 93 -12.905 2.624 -5.842 685 HA ASN 93 HA ASN 93 -11.719 0.205 -4.654 686 HB2 ASN 93 2HB ASN 93 -13.555 -1.012 -6.035 687 HB3 ASN 93 1HB ASN 93 -13.976 -0.294 -4.486 688 HD21 ASN 93 1HD2 ASN 93 -15.230 1.573 -4.438 689 HD22 ASN 93 2HD2 ASN 93 -16.134 2.106 -5.810 690 H LEU 94 H LEU 94 -9.866 0.110 -5.764 691 HA LEU 94 HA LEU 94 -9.787 0.363 -8.647 692 HB2 LEU 94 2HB LEU 94 -7.958 1.034 -6.920 693 HB3 LEU 94 1HB LEU 94 -7.566 -0.673 -6.896 694 HG LEU 94 HG LEU 94 -7.649 0.701 -9.533 695 HD11 LEU 94 1HD1 LEU 94 -5.271 1.351 -9.218 696 HD12 LEU 94 2HD1 LEU 94 -5.441 0.990 -7.500 697 HD13 LEU 94 3HD1 LEU 94 -6.395 2.284 -8.229 698 HD21 LEU 94 3HD2 LEU 94 -5.896 -0.889 -10.029 699 HD22 LEU 94 1HD2 LEU 94 -7.278 -1.722 -9.320 700 HD23 LEU 94 2HD2 LEU 94 -5.846 -1.402 -8.341 701 H GLU 95 H GLU 95 -11.334 -1.328 -9.033 702 HA GLU 95 HA GLU 95 -10.779 -4.019 -8.196 703 HB2 GLU 95 2HB GLU 95 -12.838 -3.072 -10.181 704 HB3 GLU 95 1HB GLU 95 -12.816 -4.604 -9.318 705 HG2 GLU 95 2HG GLU 95 -13.221 -3.515 -7.235 706 HG3 GLU 95 1HG GLU 95 -13.047 -1.925 -7.977 707 H ASP 96 H ASP 96 -11.598 -5.507 -10.307 708 HA ASP 96 HA ASP 96 -9.347 -6.300 -11.589 709 HB2 ASP 96 2HB ASP 96 -11.006 -7.114 -13.424 710 HB3 ASP 96 1HB ASP 96 -11.137 -7.757 -11.790 711 H GLU 97 H GLU 97 -11.775 -4.129 -13.028 712 HA GLU 97 HA GLU 97 -10.665 -3.672 -15.480 713 HB2 GLU 97 2HB GLU 97 -11.748 -1.463 -15.447 714 HB3 GLU 97 1HB GLU 97 -12.802 -2.721 -14.813 715 HG2 GLU 97 2HG GLU 97 -12.238 -2.018 -12.529 716 HG3 GLU 97 1HG GLU 97 -11.233 -0.731 -13.190 717 H ASP 98 H ASP 98 -9.302 -2.836 -12.477 718 HA ASP 98 HA ASP 98 -7.230 -1.248 -13.830 719 HB2 ASP 98 2HB ASP 98 -8.304 -0.845 -11.022 720 HB3 ASP 98 1HB ASP 98 -6.952 0.035 -11.733 721 H ILE 99 H ILE 99 -7.957 -3.984 -11.960 722 HA ILE 99 HA ILE 99 -5.318 -4.203 -10.753 723 HB ILE 99 HB ILE 99 -7.758 -5.970 -10.618 724 HG12 ILE 99 2HG1 ILE 99 -7.739 -3.812 -9.371 725 HG13 ILE 99 1HG1 ILE 99 -7.911 -5.231 -8.348 726 HG21 ILE 99 1HG2 ILE 99 -5.899 -7.467 -10.508 727 HG22 ILE 99 2HG2 ILE 99 -6.502 -7.235 -8.866 728 HG23 ILE 99 3HG2 ILE 99 -5.040 -6.403 -9.392 729 HD11 ILE 99 3HD1 ILE 99 -6.425 -3.672 -7.307 730 HD12 ILE 99 1HD1 ILE 99 -5.426 -3.588 -8.758 731 HD13 ILE 99 2HD1 ILE 99 -5.500 -5.082 -7.822 732 H GLU 100 H GLU 100 -7.172 -5.672 -13.362 733 HA GLU 100 HA GLU 100 -5.710 -7.914 -13.942 734 HB2 GLU 100 2HB GLU 100 -7.721 -7.345 -15.170 735 HB3 GLU 100 1HB GLU 100 -6.935 -5.938 -15.875 736 HG2 GLU 100 2HG GLU 100 -5.413 -7.369 -17.103 737 HG3 GLU 100 1HG GLU 100 -6.122 -8.797 -16.352 738 H SER 101 H SER 101 -5.106 -4.666 -15.278 739 HA SER 101 HA SER 101 -2.326 -5.495 -15.796 740 HB2 SER 101 2HB SER 101 -2.284 -3.748 -17.546 741 HB3 SER 101 1HB SER 101 -3.540 -4.946 -17.853 742 HG SER 101 HG SER 101 -4.947 -3.367 -16.688 743 H ILE 102 H ILE 102 -3.133 -4.637 -13.248 744 HA ILE 102 HA ILE 102 -2.791 -1.903 -12.755 745 HB ILE 102 HB ILE 102 -3.724 -3.424 -11.081 746 HG12 ILE 102 2HG1 ILE 102 -2.373 -2.572 -9.116 747 HG13 ILE 102 1HG1 ILE 102 -1.232 -1.916 -10.281 748 HG21 ILE 102 1HG2 ILE 102 -2.155 -4.826 -9.740 749 HG22 ILE 102 2HG2 ILE 102 -0.906 -4.500 -10.942 750 HG23 ILE 102 3HG2 ILE 102 -2.365 -5.377 -11.401 751 HD11 ILE 102 3HD1 ILE 102 -2.769 -0.218 -9.480 752 HD12 ILE 102 1HD1 ILE 102 -4.131 -1.167 -10.072 753 HD13 ILE 102 2HD1 ILE 102 -2.964 -0.497 -11.210 754 H ASP 103 H ASP 103 -1.065 -0.657 -12.245 755 HA ASP 103 HA ASP 103 1.606 -1.865 -12.317 756 HB2 ASP 103 2HB ASP 103 0.787 0.627 -13.825 757 HB3 ASP 103 1HB ASP 103 2.431 0.017 -13.678 758 H ALA 104 H ALA 104 3.192 -0.706 -11.092 759 HA ALA 104 HA ALA 104 2.337 0.368 -8.709 760 HB1 ALA 104 1HB ALA 104 4.598 -0.391 -9.011 761 HB2 ALA 104 2HB ALA 104 4.604 1.276 -8.437 762 HB3 ALA 104 3HB ALA 104 4.928 0.927 -10.137 763 H THR 105 H THR 105 2.846 1.944 -11.772 764 HA THR 105 HA THR 105 2.706 4.625 -10.922 765 HB THR 105 HB THR 105 1.873 3.407 -13.561 766 HG1 THR 105 1HG THR 105 4.265 3.733 -12.463 767 HG21 THR 105 3HG2 THR 105 2.336 6.266 -12.741 768 HG22 THR 105 1HG2 THR 105 0.846 5.550 -13.357 769 HG23 THR 105 2HG2 THR 105 2.245 5.726 -14.419 770 H LYS 106 H LYS 106 0.218 2.404 -12.142 771 HA LYS 106 HA LYS 106 -1.958 4.150 -12.006 772 HB2 LYS 106 2HB LYS 106 -1.927 1.144 -11.652 773 HB3 LYS 106 1HB LYS 106 -3.351 2.116 -12.006 774 HG2 LYS 106 2HG LYS 106 -2.437 2.749 -14.146 775 HG3 LYS 106 1HG LYS 106 -0.936 1.886 -13.792 776 HD2 LYS 106 2HD LYS 106 -2.249 0.477 -15.203 777 HD3 LYS 106 1HD LYS 106 -2.312 -0.207 -13.577 778 HE2 LYS 106 2HE LYS 106 -4.518 -0.256 -14.545 779 HE3 LYS 106 1HE LYS 106 -4.484 0.914 -13.228 780 HZ1 LYS 106 3HZ LYS 106 -4.287 1.565 -16.118 781 HZ2 LYS 106 1HZ LYS 106 -4.263 2.687 -14.851 782 HZ3 LYS 106 2HZ LYS 106 -5.659 1.780 -15.151 783 H LEU 107 H LEU 107 -1.110 1.577 -9.655 784 HA LEU 107 HA LEU 107 -2.976 2.172 -7.718 785 HB2 LEU 107 2HB LEU 107 -0.783 0.493 -7.901 786 HB3 LEU 107 1HB LEU 107 -0.344 1.560 -6.584 787 HG LEU 107 HG LEU 107 -2.549 -0.452 -6.729 788 HD11 LEU 107 1HD1 LEU 107 -1.705 -0.888 -4.404 789 HD12 LEU 107 2HD1 LEU 107 -0.420 0.277 -4.729 790 HD13 LEU 107 3HD1 LEU 107 -0.544 -1.194 -5.694 791 HD21 LEU 107 3HD2 LEU 107 -3.787 1.496 -6.113 792 HD22 LEU 107 1HD2 LEU 107 -2.542 1.992 -4.964 793 HD23 LEU 107 2HD2 LEU 107 -3.507 0.549 -4.652 794 H SER 108 H SER 108 0.378 3.375 -7.856 795 HA SER 108 HA SER 108 0.212 5.166 -5.724 796 HB2 SER 108 2HB SER 108 1.925 5.331 -8.215 797 HB3 SER 108 1HB SER 108 2.186 6.263 -6.740 798 HG SER 108 HG SER 108 2.137 3.430 -6.832 799 H ARG 109 H ARG 109 -0.867 5.442 -9.020 800 HA ARG 109 HA ARG 109 -1.162 8.264 -9.046 801 HB2 ARG 109 2HB ARG 109 -0.996 6.873 -11.102 802 HB3 ARG 109 1HB ARG 109 -2.572 6.194 -10.740 803 HG2 ARG 109 2HG ARG 109 -2.210 9.148 -11.056 804 HG3 ARG 109 1HG ARG 109 -2.409 8.096 -12.459 805 HD2 ARG 109 2HD ARG 109 -4.492 7.212 -11.345 806 HD3 ARG 109 1HD ARG 109 -4.323 8.524 -10.175 807 HE ARG 109 HE ARG 109 -4.271 9.805 -12.561 808 HH11 ARG 109 1HH1 ARG 109 -6.459 7.503 -11.127 809 HH12 ARG 109 2HH1 ARG 109 -7.853 8.120 -11.948 810 HH21 ARG 109 1HH2 ARG 109 -6.102 10.624 -13.645 811 HH22 ARG 109 2HH2 ARG 109 -7.649 9.894 -13.381 812 H PHE 110 H PHE 110 -3.670 5.745 -9.135 813 HA PHE 110 HA PHE 110 -5.879 7.194 -8.533 814 HB2 PHE 110 2HB PHE 110 -5.072 4.407 -7.761 815 HB3 PHE 110 1HB PHE 110 -6.589 5.076 -7.159 816 HD1 PHE 110 2HD PHE 110 -4.757 3.980 -10.137 817 HD2 PHE 110 1HD PHE 110 -8.449 5.463 -8.628 818 HE1 PHE 110 2HE PHE 110 -5.859 3.377 -12.252 819 HE2 PHE 110 1HE PHE 110 -9.558 4.862 -10.741 820 HZ PHE 110 HZ PHE 110 -8.263 3.817 -12.556 821 H ILE 111 H ILE 111 -3.505 5.949 -6.218 822 HA ILE 111 HA ILE 111 -4.784 6.910 -3.893 823 HB ILE 111 HB ILE 111 -1.859 6.364 -4.429 824 HG12 ILE 111 2HG1 ILE 111 -3.876 4.735 -2.877 825 HG13 ILE 111 1HG1 ILE 111 -3.512 4.465 -4.574 826 HG21 ILE 111 1HG2 ILE 111 -2.039 7.914 -2.588 827 HG22 ILE 111 2HG2 ILE 111 -1.622 6.314 -1.972 828 HG23 ILE 111 3HG2 ILE 111 -3.275 6.911 -1.824 829 HD11 ILE 111 3HD1 ILE 111 -1.564 4.249 -2.296 830 HD12 ILE 111 1HD1 ILE 111 -1.189 3.987 -3.999 831 HD13 ILE 111 2HD1 ILE 111 -2.308 2.907 -3.167 832 H GLU 112 H GLU 112 -2.046 8.235 -5.747 833 HA GLU 112 HA GLU 112 -1.727 10.627 -4.401 834 HB2 GLU 112 2HB GLU 112 -0.266 9.703 -6.235 835 HB3 GLU 112 1HB GLU 112 -1.470 10.257 -7.393 836 HG2 GLU 112 2HG GLU 112 -0.286 12.183 -5.448 837 HG3 GLU 112 1HG GLU 112 0.626 11.706 -6.879 838 H ILE 113 H ILE 113 -4.227 9.580 -6.474 839 HA ILE 113 HA ILE 113 -5.236 12.214 -7.094 840 HB ILE 113 HB ILE 113 -5.791 9.452 -7.949 841 HG12 ILE 113 2HG1 ILE 113 -6.017 10.528 -10.129 842 HG13 ILE 113 1HG1 ILE 113 -5.978 12.115 -9.365 843 HG21 ILE 113 1HG2 ILE 113 -7.973 9.844 -7.135 844 HG22 ILE 113 2HG2 ILE 113 -8.023 10.079 -8.880 845 HG23 ILE 113 3HG2 ILE 113 -8.006 11.477 -7.804 846 HD11 ILE 113 3HD1 ILE 113 -3.695 11.732 -8.646 847 HD12 ILE 113 1HD1 ILE 113 -3.842 11.526 -10.391 848 HD13 ILE 113 2HD1 ILE 113 -3.733 10.112 -9.342 849 H ASN 114 H ASN 114 -6.065 9.532 -4.928 850 HA ASN 114 HA ASN 114 -8.097 11.293 -3.723 851 HB2 ASN 114 2HB ASN 114 -8.235 8.299 -4.083 852 HB3 ASN 114 1HB ASN 114 -9.377 9.243 -3.131 853 HD21 ASN 114 1HD2 ASN 114 -9.342 11.508 -4.932 854 HD22 ASN 114 2HD2 ASN 114 -10.237 11.035 -6.332 855 H SER 115 H SER 115 -5.282 10.962 -2.951 856 HA SER 115 HA SER 115 -5.352 9.461 -0.483 857 HB2 SER 115 2HB SER 115 -3.042 10.249 -0.186 858 HB3 SER 115 1HB SER 115 -3.277 9.593 -1.807 859 HG SER 115 HG SER 115 -3.208 12.326 -1.052 860 H LEU 116 H LEU 116 -7.320 11.466 -0.668 861 HA LEU 116 HA LEU 116 -6.455 13.694 0.975 862 HB2 LEU 116 2HB LEU 116 -9.226 13.017 0.004 863 HB3 LEU 116 1HB LEU 116 -8.680 14.556 0.646 864 HG LEU 116 HG LEU 116 -7.815 13.310 -1.963 865 HD11 LEU 116 1HD1 LEU 116 -10.085 14.177 -2.028 866 HD12 LEU 116 2HD1 LEU 116 -9.003 15.197 -2.973 867 HD13 LEU 116 3HD1 LEU 116 -9.531 15.718 -1.373 868 HD21 LEU 116 3HD2 LEU 116 -5.992 14.567 -0.948 869 HD22 LEU 116 1HD2 LEU 116 -7.059 15.956 -0.723 870 HD23 LEU 116 2HD2 LEU 116 -6.637 15.422 -2.351 Start of MODEL 31 1 H GLU 1 H GLU 1 29.738 -0.234 -3.107 2 HA GLU 1 HA GLU 1 29.557 1.340 -0.756 3 HB2 GLU 1 2HB GLU 1 27.388 2.053 -1.746 4 HB3 GLU 1 1HB GLU 1 26.859 0.377 -1.730 5 HG2 GLU 1 2HG GLU 1 25.913 1.517 0.149 6 HG3 GLU 1 1HG GLU 1 27.111 0.358 0.725 7 H VAL 2 H VAL 2 28.188 -1.575 -2.263 8 HA VAL 2 HA VAL 2 28.652 -3.103 0.172 9 HB VAL 2 HB VAL 2 27.561 -4.959 -1.014 10 HG11 VAL 2 1HG1 VAL 2 25.325 -3.939 -1.213 11 HG12 VAL 2 2HG1 VAL 2 26.071 -2.340 -1.153 12 HG13 VAL 2 3HG1 VAL 2 26.179 -3.417 0.240 13 HG21 VAL 2 3HG2 VAL 2 28.330 -4.458 -3.276 14 HG22 VAL 2 1HG2 VAL 2 27.327 -3.008 -3.306 15 HG23 VAL 2 2HG2 VAL 2 26.573 -4.600 -3.227 16 H GLU 3 H GLU 3 29.998 -4.920 0.293 17 HA GLU 3 HA GLU 3 31.859 -5.343 -1.935 18 HB2 GLU 3 2HB GLU 3 32.686 -4.957 0.948 19 HB3 GLU 3 1HB GLU 3 33.761 -5.401 -0.370 20 HG2 GLU 3 2HG GLU 3 33.310 -3.272 -1.467 21 HG3 GLU 3 1HG GLU 3 32.212 -2.829 -0.160 22 H LYS 4 H LYS 4 30.633 -6.495 1.181 23 HA LYS 4 HA LYS 4 31.659 -9.149 0.821 24 HB2 LYS 4 2HB LYS 4 29.623 -8.044 2.764 25 HB3 LYS 4 1HB LYS 4 30.259 -9.682 2.816 26 HG2 LYS 4 2HG LYS 4 31.939 -7.195 3.059 27 HG3 LYS 4 1HG LYS 4 31.329 -8.133 4.424 28 HD2 LYS 4 2HD LYS 4 33.088 -9.252 2.243 29 HD3 LYS 4 1HD LYS 4 33.685 -8.658 3.793 30 HE2 LYS 4 2HE LYS 4 31.737 -10.926 3.390 31 HE3 LYS 4 1HE LYS 4 33.441 -11.087 3.812 32 HZ1 LYS 4 3HZ LYS 4 33.015 -9.942 5.884 33 HZ2 LYS 4 1HZ LYS 4 31.998 -11.289 5.749 34 HZ3 LYS 4 2HZ LYS 4 31.386 -9.735 5.478 35 H SER 5 H SER 5 28.284 -8.054 1.190 36 HA SER 5 HA SER 5 27.488 -10.190 -0.672 37 HB2 SER 5 2HB SER 5 25.266 -10.077 0.395 38 HB3 SER 5 1HB SER 5 26.533 -10.425 1.573 39 HG SER 5 HG SER 5 26.514 -8.037 1.903 40 H SER 6 H SER 6 25.582 -9.715 -2.037 41 HA SER 6 HA SER 6 25.517 -6.879 -2.838 42 HB2 SER 6 2HB SER 6 26.739 -8.197 -4.493 43 HB3 SER 6 1HB SER 6 25.385 -9.320 -4.625 44 HG SER 6 HG SER 6 25.491 -7.656 -6.279 45 H ASP 7 H ASP 7 23.598 -5.975 -2.602 46 HA ASP 7 HA ASP 7 21.361 -5.678 -2.323 47 HB2 ASP 7 2HB ASP 7 21.366 -6.272 -4.718 48 HB3 ASP 7 1HB ASP 7 21.183 -7.970 -4.291 49 H GLY 8 H GLY 8 21.397 -6.336 -0.124 50 HA2 GLY 8 2HA GLY 8 20.426 -9.078 0.365 51 HA3 GLY 8 1HA GLY 8 21.269 -8.085 1.545 52 HA PRO 9 HA PRO 9 16.418 -7.868 1.724 53 HB2 PRO 9 2HB PRO 9 16.940 -9.286 4.286 54 HB3 PRO 9 1HB PRO 9 15.623 -9.501 3.126 55 HG2 PRO 9 2HG PRO 9 17.597 -11.282 3.289 56 HG3 PRO 9 1HG PRO 9 16.901 -10.831 1.720 57 HD2 PRO 9 2HD PRO 9 19.488 -9.993 2.961 58 HD3 PRO 9 1HD PRO 9 19.115 -10.355 1.262 59 H GLY 10 H GLY 10 16.716 -5.651 2.018 60 HA2 GLY 10 2HA GLY 10 17.951 -4.526 4.322 61 HA3 GLY 10 1HA GLY 10 16.941 -3.670 3.168 62 H ALA 11 H ALA 11 14.672 -3.611 3.491 63 HA ALA 11 HA ALA 11 13.433 -4.826 5.751 64 HB1 ALA 11 1HB ALA 11 14.721 -3.100 6.926 65 HB2 ALA 11 2HB ALA 11 12.984 -2.824 7.059 66 HB3 ALA 11 3HB ALA 11 13.947 -1.859 5.942 67 H ALA 12 H ALA 12 12.842 -1.571 4.513 68 HA ALA 12 HA ALA 12 11.082 -0.649 3.413 69 HB1 ALA 12 1HB ALA 12 10.820 -3.284 1.990 70 HB2 ALA 12 2HB ALA 12 12.098 -2.120 1.634 71 HB3 ALA 12 3HB ALA 12 10.407 -1.673 1.396 72 H GLN 13 H GLN 13 9.447 -0.271 4.772 73 HA GLN 13 HA GLN 13 7.972 -2.069 6.250 74 HB2 GLN 13 2HB GLN 13 6.231 -0.285 6.348 75 HB3 GLN 13 1HB GLN 13 7.855 0.287 6.704 76 HG2 GLN 13 2HG GLN 13 8.024 1.093 4.363 77 HG3 GLN 13 1HG GLN 13 6.339 0.631 4.130 78 HE21 GLN 13 1HE2 GLN 13 7.604 3.255 3.958 79 HE22 GLN 13 2HE2 GLN 13 6.774 4.263 5.088 80 H GLU 14 H GLU 14 6.164 -3.284 5.948 81 HA GLU 14 HA GLU 14 5.171 -3.486 3.184 82 HB2 GLU 14 2HB GLU 14 4.685 -5.800 3.602 83 HB3 GLU 14 1HB GLU 14 6.338 -5.492 4.118 84 HG2 GLU 14 2HG GLU 14 5.564 -5.338 6.442 85 HG3 GLU 14 1HG GLU 14 3.925 -5.699 5.902 86 HA PRO 15 HA PRO 15 1.088 -2.336 4.368 87 HB2 PRO 15 2HB PRO 15 -0.470 -4.190 3.084 88 HB3 PRO 15 1HB PRO 15 0.286 -2.805 2.290 89 HG2 PRO 15 2HG PRO 15 1.166 -5.654 2.380 90 HG3 PRO 15 1HG PRO 15 1.209 -4.504 1.032 91 HD2 PRO 15 2HD PRO 15 3.404 -5.122 2.481 92 HD3 PRO 15 1HD PRO 15 3.153 -3.516 1.769 93 H THR 16 H THR 16 -0.649 -2.815 5.732 94 HA THR 16 HA THR 16 -0.102 -4.676 7.802 95 HB THR 16 HB THR 16 -2.724 -3.266 7.271 96 HG1 THR 16 1HG THR 16 -0.457 -2.108 7.641 97 HG21 THR 16 3HG2 THR 16 -2.858 -5.048 8.937 98 HG22 THR 16 1HG2 THR 16 -3.016 -3.465 9.700 99 HG23 THR 16 2HG2 THR 16 -1.493 -4.350 9.807 100 H TRP 17 H TRP 17 -1.339 -6.482 8.474 101 HA TRP 17 HA TRP 17 -2.546 -7.941 6.235 102 HB2 TRP 17 2HB TRP 17 -1.460 -8.904 8.888 103 HB3 TRP 17 1HB TRP 17 -2.214 -9.948 7.687 104 HD1 TRP 17 HD TRP 17 1.057 -8.310 8.562 105 HE1 TRP 17 1HE TRP 17 2.839 -8.953 6.819 106 HE3 TRP 17 3HE TRP 17 -1.974 -10.482 5.066 107 HZ2 TRP 17 2HZ TRP 17 2.945 -10.213 4.293 108 HZ3 TRP 17 3HZ TRP 17 -0.955 -11.381 3.015 109 HH2 TRP 17 HH TRP 17 1.454 -11.248 2.637 110 H LEU 18 H LEU 18 -4.566 -6.871 6.334 111 HA LEU 18 HA LEU 18 -6.160 -6.985 8.747 112 HB2 LEU 18 2HB LEU 18 -7.002 -6.220 5.951 113 HB3 LEU 18 1HB LEU 18 -7.856 -5.864 7.442 114 HG LEU 18 HG LEU 18 -5.139 -4.770 6.719 115 HD11 LEU 18 1HD1 LEU 18 -6.311 -2.642 6.397 116 HD12 LEU 18 2HD1 LEU 18 -7.851 -3.473 6.612 117 HD13 LEU 18 3HD1 LEU 18 -6.820 -3.869 5.238 118 HD21 LEU 18 3HD2 LEU 18 -5.610 -3.220 8.610 119 HD22 LEU 18 1HD2 LEU 18 -5.383 -4.901 9.094 120 HD23 LEU 18 2HD2 LEU 18 -7.006 -4.219 9.015 121 H THR 19 H THR 19 -5.906 -9.378 8.850 122 HA THR 19 HA THR 19 -7.171 -11.058 6.939 123 HB THR 19 HB THR 19 -6.872 -12.851 8.547 124 HG1 THR 19 1HG THR 19 -5.882 -10.971 10.423 125 HG21 THR 19 3HG2 THR 19 -4.524 -10.951 8.543 126 HG22 THR 19 1HG2 THR 19 -4.902 -12.137 7.293 127 HG23 THR 19 2HG2 THR 19 -4.449 -12.674 8.911 128 H ASP 20 H ASP 20 -8.554 -8.916 9.057 129 HA ASP 20 HA ASP 20 -11.083 -10.375 8.942 130 HB2 ASP 20 2HB ASP 20 -9.934 -9.196 11.476 131 HB3 ASP 20 1HB ASP 20 -11.585 -9.784 11.306 132 H VAL 21 H VAL 21 -12.928 -9.121 8.947 133 HA VAL 21 HA VAL 21 -12.809 -6.650 7.692 134 HB VAL 21 HB VAL 21 -15.085 -7.728 9.363 135 HG11 VAL 21 1HG1 VAL 21 -15.374 -5.372 8.910 136 HG12 VAL 21 2HG1 VAL 21 -16.492 -6.307 7.918 137 HG13 VAL 21 3HG1 VAL 21 -15.031 -5.628 7.199 138 HG21 VAL 21 3HG2 VAL 21 -14.323 -9.279 7.605 139 HG22 VAL 21 1HG2 VAL 21 -14.566 -8.011 6.406 140 HG23 VAL 21 2HG2 VAL 21 -15.944 -8.656 7.297 141 HA PRO 22 HA PRO 22 -13.797 -4.605 12.044 142 HB2 PRO 22 2HB PRO 22 -12.598 -5.967 14.129 143 HB3 PRO 22 1HB PRO 22 -14.315 -6.062 13.723 144 HG2 PRO 22 2HG PRO 22 -12.092 -7.929 13.007 145 HG3 PRO 22 1HG PRO 22 -13.747 -8.302 13.528 146 HD2 PRO 22 2HD PRO 22 -13.042 -8.459 10.957 147 HD3 PRO 22 1HD PRO 22 -14.641 -7.848 11.429 148 H ALA 23 H ALA 23 -10.829 -6.571 11.839 149 HA ALA 23 HA ALA 23 -9.112 -4.608 12.910 150 HB1 ALA 23 1HB ALA 23 -8.381 -6.826 10.998 151 HB2 ALA 23 2HB ALA 23 -8.542 -7.017 12.745 152 HB3 ALA 23 3HB ALA 23 -7.293 -5.962 12.084 153 H ALA 24 H ALA 24 -10.265 -5.301 9.707 154 HA ALA 24 HA ALA 24 -8.505 -3.659 8.241 155 HB1 ALA 24 1HB ALA 24 -10.299 -3.694 6.500 156 HB2 ALA 24 2HB ALA 24 -11.340 -4.528 7.656 157 HB3 ALA 24 3HB ALA 24 -9.853 -5.294 7.097 158 H MET 25 H MET 25 -11.870 -3.050 9.247 159 HA MET 25 HA MET 25 -11.951 -0.342 8.557 160 HB2 MET 25 2HB MET 25 -13.523 -1.724 10.737 161 HB3 MET 25 1HB MET 25 -13.945 -0.211 9.947 162 HG2 MET 25 2HG MET 25 -13.984 -1.571 7.780 163 HG3 MET 25 1HG MET 25 -13.997 -2.987 8.829 164 HE1 MET 25 3HE MET 25 -16.429 -3.713 7.649 165 HE2 MET 25 1HE MET 25 -16.146 -2.289 6.647 166 HE3 MET 25 2HE MET 25 -17.705 -2.514 7.441 167 H GLU 26 H GLU 26 -10.671 -1.949 11.378 168 HA GLU 26 HA GLU 26 -10.620 0.343 13.064 169 HB2 GLU 26 2HB GLU 26 -9.313 -2.345 13.122 170 HB3 GLU 26 1HB GLU 26 -8.738 -1.086 14.208 171 HG2 GLU 26 2HG GLU 26 -11.115 -0.823 14.979 172 HG3 GLU 26 1HG GLU 26 -11.484 -2.286 14.064 173 H PHE 27 H PHE 27 -8.134 -1.256 11.084 174 HA PHE 27 HA PHE 27 -6.094 0.585 11.630 175 HB2 PHE 27 2HB PHE 27 -6.566 -1.508 9.590 176 HB3 PHE 27 1HB PHE 27 -5.412 -0.252 9.152 177 HD1 PHE 27 1HD PHE 27 -6.136 -2.970 11.517 178 HD2 PHE 27 2HD PHE 27 -3.287 -0.088 10.220 179 HE1 PHE 27 1HE PHE 27 -4.396 -4.103 12.839 180 HE2 PHE 27 2HE PHE 27 -1.541 -1.218 11.536 181 HZ PHE 27 HZ PHE 27 -2.095 -3.227 12.847 182 H ILE 28 H ILE 28 -8.743 0.606 9.340 183 HA ILE 28 HA ILE 28 -7.818 2.901 7.886 184 HB ILE 28 HB ILE 28 -10.481 1.503 8.037 185 HG12 ILE 28 2HG1 ILE 28 -8.729 1.960 5.628 186 HG13 ILE 28 1HG1 ILE 28 -8.469 0.599 6.719 187 HG21 ILE 28 1HG2 ILE 28 -11.040 3.818 7.775 188 HG22 ILE 28 2HG2 ILE 28 -11.230 3.027 6.212 189 HG23 ILE 28 3HG2 ILE 28 -9.811 4.023 6.530 190 HD11 ILE 28 3HD1 ILE 28 -11.120 1.112 5.413 191 HD12 ILE 28 1HD1 ILE 28 -10.531 -0.372 6.165 192 HD13 ILE 28 2HD1 ILE 28 -9.845 0.174 4.633 193 H ALA 29 H ALA 29 -9.943 2.322 10.622 194 HA ALA 29 HA ALA 29 -10.891 5.011 10.812 195 HB1 ALA 29 1HB ALA 29 -12.233 3.194 11.674 196 HB2 ALA 29 2HB ALA 29 -11.799 4.284 12.992 197 HB3 ALA 29 3HB ALA 29 -10.955 2.744 12.806 198 H ALA 30 H ALA 30 -8.035 3.398 11.759 199 HA ALA 30 HA ALA 30 -7.395 5.370 13.822 200 HB1 ALA 30 1HB ALA 30 -5.849 2.946 12.913 201 HB2 ALA 30 2HB ALA 30 -6.932 3.019 14.303 202 HB3 ALA 30 3HB ALA 30 -5.451 3.975 14.289 203 H THR 31 H THR 31 -7.574 6.042 10.942 204 HA THR 31 HA THR 31 -5.303 7.717 10.769 205 HB THR 31 HB THR 31 -4.127 5.655 10.194 206 HG1 THR 31 1HG THR 31 -4.500 7.118 7.788 207 HG21 THR 31 3HG2 THR 31 -5.695 5.366 7.679 208 HG22 THR 31 1HG2 THR 31 -6.369 4.713 9.172 209 HG23 THR 31 2HG2 THR 31 -4.798 4.158 8.598 210 H GLU 32 H GLU 32 -5.339 9.099 8.914 211 HA GLU 32 HA GLU 32 -7.931 9.739 7.992 212 HB2 GLU 32 2HB GLU 32 -5.282 10.839 7.801 213 HB3 GLU 32 1HB GLU 32 -6.044 10.870 6.217 214 HG2 GLU 32 2HG GLU 32 -6.575 12.918 7.194 215 HG3 GLU 32 1HG GLU 32 -8.032 11.939 7.353 216 H VAL 33 H VAL 33 -5.262 9.222 5.744 217 HA VAL 33 HA VAL 33 -7.087 7.914 3.898 218 HB VAL 33 HB VAL 33 -4.191 8.615 3.454 219 HG11 VAL 33 1HG1 VAL 33 -5.055 7.052 1.830 220 HG12 VAL 33 2HG1 VAL 33 -4.863 8.635 1.074 221 HG13 VAL 33 3HG1 VAL 33 -6.468 8.073 1.552 222 HG21 VAL 33 3HG2 VAL 33 -4.993 10.684 2.428 223 HG22 VAL 33 1HG2 VAL 33 -5.436 10.603 4.136 224 HG23 VAL 33 2HG2 VAL 33 -6.645 10.272 2.893 225 H ALA 34 H ALA 34 -7.040 5.799 3.355 226 HA ALA 34 HA ALA 34 -4.820 4.142 4.305 227 HB1 ALA 34 1HB ALA 34 -6.385 3.869 6.056 228 HB2 ALA 34 2HB ALA 34 -6.522 2.425 5.049 229 HB3 ALA 34 3HB ALA 34 -7.729 3.705 4.927 230 H VAL 35 H VAL 35 -4.093 2.866 2.765 231 HA VAL 35 HA VAL 35 -5.923 2.123 0.583 232 HB VAL 35 HB VAL 35 -2.950 2.607 0.542 233 HG11 VAL 35 1HG1 VAL 35 -3.017 1.902 -1.829 234 HG12 VAL 35 2HG1 VAL 35 -4.672 1.340 -1.594 235 HG13 VAL 35 3HG1 VAL 35 -3.347 0.571 -0.721 236 HG21 VAL 35 3HG2 VAL 35 -5.330 3.788 -0.874 237 HG22 VAL 35 1HG2 VAL 35 -3.651 4.160 -1.289 238 HG23 VAL 35 2HG2 VAL 35 -4.281 4.577 0.309 239 H ILE 36 H ILE 36 -6.328 0.064 0.271 240 HA ILE 36 HA ILE 36 -4.601 -1.925 1.569 241 HB ILE 36 HB ILE 36 -7.614 -1.868 1.720 242 HG12 ILE 36 2HG1 ILE 36 -5.737 -1.706 4.055 243 HG13 ILE 36 1HG1 ILE 36 -6.118 -0.254 3.139 244 HG21 ILE 36 1HG2 ILE 36 -5.587 -3.823 2.810 245 HG22 ILE 36 2HG2 ILE 36 -6.853 -4.142 1.622 246 HG23 ILE 36 3HG2 ILE 36 -7.284 -3.777 3.294 247 HD11 ILE 36 3HD1 ILE 36 -7.550 -0.361 5.022 248 HD12 ILE 36 1HD1 ILE 36 -8.021 -2.017 4.639 249 HD13 ILE 36 2HD1 ILE 36 -8.515 -0.695 3.583 250 H GLY 37 H GLY 37 -4.293 -3.788 0.503 251 HA2 GLY 37 2HA GLY 37 -5.497 -3.992 -2.161 252 HA3 GLY 37 1HA GLY 37 -3.999 -4.752 -1.659 253 H PHE 38 H PHE 38 -7.450 -5.026 -1.793 254 HA PHE 38 HA PHE 38 -7.551 -7.445 -0.205 255 HB2 PHE 38 2HB PHE 38 -9.654 -6.139 -1.955 256 HB3 PHE 38 1HB PHE 38 -9.931 -7.502 -0.878 257 HD1 PHE 38 1HD PHE 38 -8.757 -6.913 1.582 258 HD2 PHE 38 2HD PHE 38 -10.580 -4.201 -1.137 259 HE1 PHE 38 1HE PHE 38 -9.233 -5.378 3.442 260 HE2 PHE 38 2HE PHE 38 -11.061 -2.664 0.721 261 HZ PHE 38 HZ PHE 38 -10.386 -3.248 3.012 262 H PHE 39 H PHE 39 -6.156 -8.849 -1.234 263 HA PHE 39 HA PHE 39 -6.805 -9.576 -4.005 264 HB2 PHE 39 2HB PHE 39 -4.293 -10.224 -2.468 265 HB3 PHE 39 1HB PHE 39 -4.564 -10.423 -4.196 266 HD1 PHE 39 1HD PHE 39 -5.790 -7.883 -4.948 267 HD2 PHE 39 2HD PHE 39 -2.591 -8.680 -2.259 268 HE1 PHE 39 1HE PHE 39 -4.891 -5.632 -5.357 269 HE2 PHE 39 2HE PHE 39 -1.688 -6.427 -2.659 270 HZ PHE 39 HZ PHE 39 -2.839 -4.899 -4.212 271 H GLN 40 H GLN 40 -7.300 -11.612 -4.590 272 HA GLN 40 HA GLN 40 -7.946 -13.502 -2.475 273 HB2 GLN 40 2HB GLN 40 -8.385 -13.664 -5.468 274 HB3 GLN 40 1HB GLN 40 -9.010 -14.801 -4.282 275 HG2 GLN 40 2HG GLN 40 -10.409 -13.103 -3.317 276 HG3 GLN 40 1HG GLN 40 -9.700 -11.875 -4.363 277 HE21 GLN 40 1HE2 GLN 40 -11.678 -11.327 -5.263 278 HE22 GLN 40 2HE2 GLN 40 -12.506 -12.357 -6.376 279 H ASP 41 H ASP 41 -5.351 -12.703 -4.311 280 HA ASP 41 HA ASP 41 -3.950 -15.163 -3.719 281 HB2 ASP 41 2HB ASP 41 -5.017 -15.484 -5.999 282 HB3 ASP 41 1HB ASP 41 -4.011 -14.153 -6.574 283 H LEU 42 H LEU 42 -2.028 -14.532 -2.904 284 HA LEU 42 HA LEU 42 -1.118 -11.822 -3.442 285 HB2 LEU 42 2HB LEU 42 -0.052 -13.885 -1.518 286 HB3 LEU 42 1HB LEU 42 0.506 -12.225 -1.642 287 HG LEU 42 HG LEU 42 -2.274 -13.073 -0.834 288 HD11 LEU 42 1HD1 LEU 42 -0.136 -11.817 0.869 289 HD12 LEU 42 2HD1 LEU 42 -0.417 -13.556 0.796 290 HD13 LEU 42 3HD1 LEU 42 -1.686 -12.482 1.384 291 HD21 LEU 42 3HD2 LEU 42 -0.964 -10.368 -1.059 292 HD22 LEU 42 1HD2 LEU 42 -2.473 -10.663 -0.195 293 HD23 LEU 42 2HD2 LEU 42 -2.382 -10.954 -1.932 294 H GLU 43 H GLU 43 -0.909 -13.351 -5.674 295 HA GLU 43 HA GLU 43 2.002 -13.508 -5.998 296 HB2 GLU 43 2HB GLU 43 -0.028 -15.550 -6.889 297 HB3 GLU 43 1HB GLU 43 1.576 -15.445 -7.601 298 HG2 GLU 43 2HG GLU 43 1.212 -15.694 -4.649 299 HG3 GLU 43 1HG GLU 43 1.169 -17.111 -5.698 300 H ILE 44 H ILE 44 -0.491 -11.788 -6.692 301 HA ILE 44 HA ILE 44 -0.221 -11.618 -9.596 302 HB ILE 44 HB ILE 44 -1.996 -9.784 -9.261 303 HG12 ILE 44 2HG1 ILE 44 -2.526 -11.200 -6.679 304 HG13 ILE 44 1HG1 ILE 44 -1.441 -9.819 -6.725 305 HG21 ILE 44 1HG2 ILE 44 -2.371 -12.088 -10.144 306 HG22 ILE 44 2HG2 ILE 44 -3.765 -11.390 -9.318 307 HG23 ILE 44 3HG2 ILE 44 -2.769 -12.598 -8.501 308 HD11 ILE 44 3HD1 ILE 44 -3.331 -8.560 -7.826 309 HD12 ILE 44 1HD1 ILE 44 -3.525 -8.972 -6.123 310 HD13 ILE 44 2HD1 ILE 44 -4.359 -9.916 -7.359 311 HA PRO 45 HA PRO 45 2.422 -8.086 -9.854 312 HB2 PRO 45 2HB PRO 45 0.232 -6.738 -11.365 313 HB3 PRO 45 1HB PRO 45 1.926 -6.960 -11.809 314 HG2 PRO 45 2HG PRO 45 0.048 -8.443 -12.947 315 HG3 PRO 45 1HG PRO 45 1.593 -9.173 -12.466 316 HD2 PRO 45 2HD PRO 45 -1.081 -9.337 -11.132 317 HD3 PRO 45 1HD PRO 45 0.165 -10.589 -11.318 318 H ALA 46 H ALA 46 -0.889 -7.630 -8.841 319 HA ALA 46 HA ALA 46 -0.720 -4.936 -8.025 320 HB1 ALA 46 1HB ALA 46 -2.808 -5.277 -6.961 321 HB2 ALA 46 2HB ALA 46 -2.535 -7.016 -6.839 322 HB3 ALA 46 3HB ALA 46 -2.811 -6.276 -8.417 323 H VAL 47 H VAL 47 0.038 -7.948 -6.333 324 HA VAL 47 HA VAL 47 0.146 -6.838 -3.751 325 HB VAL 47 HB VAL 47 1.906 -9.137 -4.522 326 HG11 VAL 47 1HG1 VAL 47 0.253 -8.528 -2.069 327 HG12 VAL 47 2HG1 VAL 47 1.997 -8.314 -2.225 328 HG13 VAL 47 3HG1 VAL 47 1.300 -9.931 -2.291 329 HG21 VAL 47 3HG2 VAL 47 -1.081 -9.246 -4.129 330 HG22 VAL 47 1HG2 VAL 47 -0.010 -10.635 -4.295 331 HG23 VAL 47 2HG2 VAL 47 -0.224 -9.521 -5.645 332 HA PRO 48 HA PRO 48 4.964 -6.382 -4.408 333 HB2 PRO 48 2HB PRO 48 5.109 -6.166 -7.359 334 HB3 PRO 48 1HB PRO 48 6.191 -7.002 -6.236 335 HG2 PRO 48 2HG PRO 48 4.527 -8.368 -7.811 336 HG3 PRO 48 1HG PRO 48 4.851 -8.892 -6.147 337 HD2 PRO 48 2HD PRO 48 2.478 -7.441 -7.248 338 HD3 PRO 48 1HD PRO 48 2.542 -8.756 -6.061 339 H ILE 49 H ILE 49 2.723 -5.003 -6.742 340 HA ILE 49 HA ILE 49 3.978 -2.469 -6.926 341 HB ILE 49 HB ILE 49 1.351 -3.586 -7.768 342 HG12 ILE 49 2HG1 ILE 49 3.197 -1.942 -9.439 343 HG13 ILE 49 1HG1 ILE 49 3.679 -3.573 -8.992 344 HG21 ILE 49 1HG2 ILE 49 0.916 -1.241 -8.762 345 HG22 ILE 49 2HG2 ILE 49 1.957 -0.683 -7.453 346 HG23 ILE 49 3HG2 ILE 49 0.477 -1.565 -7.087 347 HD11 ILE 49 3HD1 ILE 49 1.965 -4.546 -10.198 348 HD12 ILE 49 1HD1 ILE 49 2.467 -3.202 -11.221 349 HD13 ILE 49 2HD1 ILE 49 1.010 -3.062 -10.233 350 H LEU 50 H LEU 50 1.476 -3.805 -4.831 351 HA LEU 50 HA LEU 50 0.823 -1.294 -3.617 352 HB2 LEU 50 2HB LEU 50 -0.818 -3.038 -3.550 353 HB3 LEU 50 1HB LEU 50 0.303 -4.145 -2.794 354 HG LEU 50 HG LEU 50 0.318 -2.599 -0.795 355 HD11 LEU 50 1HD1 LEU 50 -1.554 -1.057 -0.550 356 HD12 LEU 50 2HD1 LEU 50 -2.069 -1.410 -2.201 357 HD13 LEU 50 3HD1 LEU 50 -0.528 -0.603 -1.911 358 HD21 LEU 50 3HD2 LEU 50 -1.599 -3.570 0.160 359 HD22 LEU 50 1HD2 LEU 50 -1.037 -4.733 -1.042 360 HD23 LEU 50 2HD2 LEU 50 -2.422 -3.694 -1.399 361 H HIS 51 H HIS 51 2.749 -4.113 -2.594 362 HA HIS 51 HA HIS 51 3.687 -3.079 -0.185 363 HB2 HIS 51 2HB HIS 51 4.965 -4.982 -2.157 364 HB3 HIS 51 1HB HIS 51 5.715 -4.572 -0.618 365 HD1 HIS 51 1HD HIS 51 5.405 -6.511 0.874 366 HD2 HIS 51 2HD HIS 51 1.982 -5.713 -1.343 367 HE1 HIS 51 1HE HIS 51 3.681 -8.151 1.686 368 HE2 HIS 51 2HE HIS 51 1.637 -7.690 0.286 369 H SER 52 H SER 52 4.361 -2.198 -3.412 370 HA SER 52 HA SER 52 6.861 -0.860 -2.842 371 HB2 SER 52 2HB SER 52 6.519 -1.881 -5.047 372 HB3 SER 52 1HB SER 52 5.124 -0.839 -5.325 373 HG SER 52 HG SER 52 7.295 0.613 -4.635 374 H MET 53 H MET 53 3.538 0.114 -3.742 375 HA MET 53 HA MET 53 3.952 2.870 -3.621 376 HB2 MET 53 2HB MET 53 1.548 3.109 -3.359 377 HB3 MET 53 1HB MET 53 1.917 1.899 -4.571 378 HG2 MET 53 2HG MET 53 0.099 1.102 -3.294 379 HG3 MET 53 1HG MET 53 1.514 0.159 -2.855 380 HE1 MET 53 3HE MET 53 0.158 3.631 -0.147 381 HE2 MET 53 1HE MET 53 -0.805 3.221 -1.565 382 HE3 MET 53 2HE MET 53 0.854 3.785 -1.759 383 H VAL 54 H VAL 54 3.633 0.499 -1.159 384 HA VAL 54 HA VAL 54 2.812 1.952 1.036 385 HB VAL 54 HB VAL 54 4.838 -0.264 0.846 386 HG11 VAL 54 1HG1 VAL 54 4.600 -0.562 3.245 387 HG12 VAL 54 2HG1 VAL 54 3.535 0.842 3.326 388 HG13 VAL 54 3HG1 VAL 54 5.231 1.047 2.878 389 HG21 VAL 54 3HG2 VAL 54 1.897 -0.122 1.332 390 HG22 VAL 54 1HG2 VAL 54 2.843 -1.465 1.975 391 HG23 VAL 54 2HG2 VAL 54 2.803 -1.164 0.238 392 H GLN 55 H GLN 55 6.092 1.608 -0.267 393 HA GLN 55 HA GLN 55 7.214 3.385 1.689 394 HB2 GLN 55 2HB GLN 55 8.561 2.553 -0.851 395 HB3 GLN 55 1HB GLN 55 9.274 2.908 0.717 396 HG2 GLN 55 2HG GLN 55 8.466 0.854 1.624 397 HG3 GLN 55 1HG GLN 55 7.523 0.528 0.170 398 HE21 GLN 55 1HE2 GLN 55 10.768 1.838 0.167 399 HE22 GLN 55 2HE2 GLN 55 11.533 0.455 -0.531 400 H LYS 56 H LYS 56 5.461 3.781 -1.129 401 HA LYS 56 HA LYS 56 6.745 6.284 -1.919 402 HB2 LYS 56 2HB LYS 56 4.331 4.912 -3.115 403 HB3 LYS 56 1HB LYS 56 5.228 6.250 -3.815 404 HG2 LYS 56 2HG LYS 56 7.167 4.839 -4.117 405 HG3 LYS 56 1HG LYS 56 6.339 3.496 -3.325 406 HD2 LYS 56 2HD LYS 56 6.141 3.092 -5.642 407 HD3 LYS 56 1HD LYS 56 4.568 3.710 -5.129 408 HE2 LYS 56 2HE LYS 56 5.072 4.843 -7.134 409 HE3 LYS 56 1HE LYS 56 5.393 5.995 -5.839 410 HZ1 LYS 56 3HZ LYS 56 7.164 6.061 -7.436 411 HZ2 LYS 56 1HZ LYS 56 7.415 4.391 -7.306 412 HZ3 LYS 56 2HZ LYS 56 7.757 5.403 -5.996 413 H PHE 57 H PHE 57 4.172 5.103 -0.029 414 HA PHE 57 HA PHE 57 3.192 7.831 0.386 415 HB2 PHE 57 2HB PHE 57 1.552 5.401 -0.269 416 HB3 PHE 57 1HB PHE 57 0.859 6.792 0.559 417 HD1 PHE 57 2HD PHE 57 0.676 8.952 -0.582 418 HD2 PHE 57 1HD PHE 57 2.083 5.477 -2.594 419 HE1 PHE 57 2HE PHE 57 0.304 10.061 -2.748 420 HE2 PHE 57 1HE PHE 57 1.717 6.579 -4.763 421 HZ PHE 57 HZ PHE 57 0.825 8.873 -4.842 422 HA PRO 58 HA PRO 58 4.288 5.403 4.331 423 HB2 PRO 58 2HB PRO 58 5.372 7.726 5.442 424 HB3 PRO 58 1HB PRO 58 6.297 6.416 4.701 425 HG2 PRO 58 2HG PRO 58 5.397 9.010 3.516 426 HG3 PRO 58 1HG PRO 58 6.944 8.159 3.313 427 HD2 PRO 58 2HD PRO 58 5.107 8.070 1.394 428 HD3 PRO 58 1HD PRO 58 6.025 6.610 1.818 429 H GLY 59 H GLY 59 3.028 8.646 3.683 430 HA2 GLY 59 2HA GLY 59 1.679 9.021 6.128 431 HA3 GLY 59 1HA GLY 59 1.282 9.816 4.609 432 H VAL 60 H VAL 60 0.660 7.604 3.059 433 HA VAL 60 HA VAL 60 -2.030 7.109 3.780 434 HB VAL 60 HB VAL 60 -0.199 5.984 1.668 435 HG11 VAL 60 1HG1 VAL 60 -3.065 5.156 2.143 436 HG12 VAL 60 2HG1 VAL 60 -1.644 4.128 2.337 437 HG13 VAL 60 3HG1 VAL 60 -2.086 4.728 0.739 438 HG21 VAL 60 3HG2 VAL 60 -1.848 7.080 0.177 439 HG22 VAL 60 1HG2 VAL 60 -1.035 8.199 1.272 440 HG23 VAL 60 2HG2 VAL 60 -2.689 7.682 1.607 441 H SER 61 H SER 61 -3.015 5.228 4.581 442 HA SER 61 HA SER 61 -1.293 3.619 6.258 443 HB2 SER 61 2HB SER 61 -3.406 4.409 7.176 444 HB3 SER 61 1HB SER 61 -4.293 3.577 5.903 445 HG SER 61 HG SER 61 -2.542 2.132 7.554 446 H PHE 62 H PHE 62 -0.146 2.201 5.090 447 HA PHE 62 HA PHE 62 -1.089 0.772 2.852 448 HB2 PHE 62 2HB PHE 62 0.920 -0.768 3.466 449 HB3 PHE 62 1HB PHE 62 1.232 0.896 2.972 450 HD1 PHE 62 2HD PHE 62 1.117 -1.409 5.840 451 HD2 PHE 62 1HD PHE 62 2.141 2.496 4.491 452 HE1 PHE 62 2HE PHE 62 2.340 -1.009 7.935 453 HE2 PHE 62 1HE PHE 62 3.364 2.902 6.586 454 HZ PHE 62 HZ PHE 62 3.466 1.148 8.311 455 H GLY 63 H GLY 63 -2.271 -1.009 2.681 456 HA2 GLY 63 2HA GLY 63 -2.432 -2.873 4.926 457 HA3 GLY 63 1HA GLY 63 -3.930 -2.125 4.391 458 H ILE 64 H ILE 64 -3.522 -4.878 4.374 459 HA ILE 64 HA ILE 64 -4.147 -5.457 1.644 460 HB ILE 64 HB ILE 64 -1.524 -5.486 1.960 461 HG12 ILE 64 2HG1 ILE 64 -3.031 -7.657 0.499 462 HG13 ILE 64 1HG1 ILE 64 -2.721 -6.036 -0.106 463 HG21 ILE 64 1HG2 ILE 64 -1.474 -7.014 3.845 464 HG22 ILE 64 2HG2 ILE 64 -0.670 -7.731 2.450 465 HG23 ILE 64 3HG2 ILE 64 -2.296 -8.245 2.891 466 HD11 ILE 64 3HD1 ILE 64 -0.316 -6.501 -0.072 467 HD12 ILE 64 1HD1 ILE 64 -1.198 -7.629 -1.103 468 HD13 ILE 64 2HD1 ILE 64 -0.650 -8.138 0.493 469 H SER 65 H SER 65 -5.265 -7.393 1.439 470 HA SER 65 HA SER 65 -5.403 -9.175 3.732 471 HB2 SER 65 2HB SER 65 -7.079 -7.495 4.312 472 HB3 SER 65 1HB SER 65 -7.836 -7.682 2.732 473 HG SER 65 HG SER 65 -8.982 -8.929 4.157 474 H THR 66 H THR 66 -6.490 -11.148 3.325 475 HA THR 66 HA THR 66 -7.121 -11.724 0.522 476 HB THR 66 HB THR 66 -5.906 -13.866 0.645 477 HG1 THR 66 1HG THR 66 -5.710 -14.309 2.788 478 HG21 THR 66 3HG2 THR 66 -4.853 -11.794 -0.279 479 HG22 THR 66 1HG2 THR 66 -3.704 -12.992 0.323 480 HG23 THR 66 2HG2 THR 66 -4.075 -11.561 1.286 481 H ASP 67 H ASP 67 -8.101 -11.695 3.621 482 HA ASP 67 HA ASP 67 -9.363 -14.222 3.917 483 HB2 ASP 67 2HB ASP 67 -8.823 -12.646 5.797 484 HB3 ASP 67 1HB ASP 67 -10.134 -11.611 5.239 485 H SER 68 H SER 68 -11.397 -14.885 3.416 486 HA SER 68 HA SER 68 -12.697 -13.695 1.229 487 HB2 SER 68 2HB SER 68 -14.467 -15.372 1.622 488 HB3 SER 68 1HB SER 68 -12.858 -16.090 1.683 489 HG SER 68 HG SER 68 -13.746 -16.864 3.477 490 H GLU 69 H GLU 69 -13.583 -13.783 4.681 491 HA GLU 69 HA GLU 69 -16.020 -12.511 4.573 492 HB2 GLU 69 2HB GLU 69 -13.929 -12.072 6.701 493 HB3 GLU 69 1HB GLU 69 -15.661 -11.820 6.862 494 HG2 GLU 69 2HG GLU 69 -16.009 -14.235 6.468 495 HG3 GLU 69 1HG GLU 69 -14.259 -14.447 6.442 496 H VAL 70 H VAL 70 -12.820 -10.970 4.757 497 HA VAL 70 HA VAL 70 -13.859 -8.332 4.766 498 HB VAL 70 HB VAL 70 -11.108 -9.360 4.058 499 HG11 VAL 70 1HG1 VAL 70 -11.446 -7.246 2.931 500 HG12 VAL 70 2HG1 VAL 70 -10.351 -7.026 4.295 501 HG13 VAL 70 3HG1 VAL 70 -12.034 -6.515 4.425 502 HG21 VAL 70 3HG2 VAL 70 -10.464 -8.564 6.242 503 HG22 VAL 70 1HG2 VAL 70 -11.829 -9.671 6.402 504 HG23 VAL 70 2HG2 VAL 70 -12.084 -7.929 6.522 505 H LEU 71 H LEU 71 -12.290 -10.245 2.196 506 HA LEU 71 HA LEU 71 -12.644 -8.393 0.135 507 HB2 LEU 71 2HB LEU 71 -12.230 -11.347 0.239 508 HB3 LEU 71 1HB LEU 71 -12.670 -10.609 -1.290 509 HG LEU 71 HG LEU 71 -10.689 -9.297 -1.341 510 HD11 LEU 71 1HD1 LEU 71 -9.035 -9.352 0.501 511 HD12 LEU 71 2HD1 LEU 71 -10.211 -10.229 1.482 512 HD13 LEU 71 3HD1 LEU 71 -10.561 -8.586 0.944 513 HD21 LEU 71 3HD2 LEU 71 -10.070 -12.092 -0.397 514 HD22 LEU 71 1HD2 LEU 71 -8.921 -11.020 -1.199 515 HD23 LEU 71 2HD2 LEU 71 -10.359 -11.573 -2.057 516 H THR 72 H THR 72 -14.913 -10.251 1.816 517 HA THR 72 HA THR 72 -16.900 -10.211 -0.314 518 HB THR 72 HB THR 72 -17.037 -11.236 2.532 519 HG1 THR 72 1HG THR 72 -16.866 -13.235 1.567 520 HG21 THR 72 3HG2 THR 72 -19.096 -11.171 0.331 521 HG22 THR 72 1HG2 THR 72 -19.247 -10.587 1.988 522 HG23 THR 72 2HG2 THR 72 -19.178 -12.320 1.668 523 H HIS 73 H HIS 73 -16.224 -8.726 2.806 524 HA HIS 73 HA HIS 73 -18.631 -7.303 3.089 525 HB2 HIS 73 2HB HIS 73 -16.754 -7.727 4.817 526 HB3 HIS 73 1HB HIS 73 -15.984 -6.305 4.119 527 HD1 HIS 73 1HD HIS 73 -18.382 -7.295 6.635 528 HD2 HIS 73 2HD HIS 73 -17.738 -3.925 4.292 529 HE1 HIS 73 1HE HIS 73 -19.657 -5.442 7.759 530 HE2 HIS 73 2HE HIS 73 -19.326 -3.435 6.274 531 H TYR 74 H TYR 74 -15.576 -6.523 1.500 532 HA TYR 74 HA TYR 74 -16.610 -3.919 0.682 533 HB2 TYR 74 2HB TYR 74 -13.917 -5.245 0.378 534 HB3 TYR 74 1HB TYR 74 -14.313 -3.716 -0.403 535 HD1 TYR 74 2HD TYR 74 -14.647 -1.691 0.928 536 HD2 TYR 74 1HD TYR 74 -13.562 -5.373 2.765 537 HE1 TYR 74 2HE TYR 74 -14.028 -0.480 2.977 538 HE2 TYR 74 1HE TYR 74 -12.943 -4.171 4.819 539 HH TYR 74 HH TYR 74 -13.773 -0.919 5.368 540 H ASN 75 H ASN 75 -17.363 -6.775 -0.299 541 HA ASN 75 HA ASN 75 -18.080 -7.750 -2.218 542 HB2 ASN 75 2HB ASN 75 -18.168 -4.853 -3.062 543 HB3 ASN 75 1HB ASN 75 -18.841 -6.173 -4.018 544 HD21 ASN 75 1HD2 ASN 75 -20.921 -5.364 -3.868 545 HD22 ASN 75 2HD2 ASN 75 -21.840 -5.439 -2.408 546 H ILE 76 H ILE 76 -15.163 -7.245 -1.835 547 HA ILE 76 HA ILE 76 -13.899 -6.642 -4.264 548 HB ILE 76 HB ILE 76 -12.917 -8.566 -2.151 549 HG12 ILE 76 2HG1 ILE 76 -13.537 -6.463 -1.110 550 HG13 ILE 76 1HG1 ILE 76 -11.789 -6.599 -1.169 551 HG21 ILE 76 1HG2 ILE 76 -11.529 -7.028 -4.323 552 HG22 ILE 76 2HG2 ILE 76 -11.550 -8.770 -4.061 553 HG23 ILE 76 3HG2 ILE 76 -10.675 -7.721 -2.947 554 HD11 ILE 76 3HD1 ILE 76 -12.627 -4.343 -1.709 555 HD12 ILE 76 1HD1 ILE 76 -13.435 -5.015 -3.125 556 HD13 ILE 76 2HD1 ILE 76 -11.676 -5.064 -3.007 557 H THR 77 H THR 77 -13.873 -7.700 -6.140 558 HA THR 77 HA THR 77 -14.031 -10.620 -6.162 559 HB THR 77 HB THR 77 -15.684 -10.567 -8.026 560 HG1 THR 77 1HG THR 77 -16.407 -8.708 -8.754 561 HG21 THR 77 3HG2 THR 77 -16.630 -9.351 -5.432 562 HG22 THR 77 1HG2 THR 77 -16.406 -11.070 -5.751 563 HG23 THR 77 2HG2 THR 77 -17.647 -10.166 -6.619 564 H GLY 78 H GLY 78 -11.692 -9.644 -6.582 565 HA2 GLY 78 2HA GLY 78 -10.686 -10.491 -8.907 566 HA3 GLY 78 1HA GLY 78 -11.283 -8.905 -9.368 567 H ASN 79 H ASN 79 -9.734 -9.943 -6.344 568 HA ASN 79 HA ASN 79 -7.959 -9.089 -5.200 569 HB2 ASN 79 2HB ASN 79 -6.822 -8.833 -7.991 570 HB3 ASN 79 1HB ASN 79 -5.892 -8.842 -6.498 571 HD21 ASN 79 1HD2 ASN 79 -7.794 -10.746 -8.702 572 HD22 ASN 79 2HD2 ASN 79 -7.278 -12.292 -8.126 573 H THR 80 H THR 80 -9.933 -7.262 -5.568 574 HA THR 80 HA THR 80 -9.112 -4.819 -6.751 575 HB THR 80 HB THR 80 -11.226 -5.389 -4.661 576 HG1 THR 80 1HG THR 80 -12.080 -6.301 -6.382 577 HG21 THR 80 3HG2 THR 80 -10.855 -2.942 -6.393 578 HG22 THR 80 1HG2 THR 80 -10.627 -3.021 -4.646 579 HG23 THR 80 2HG2 THR 80 -12.232 -3.257 -5.336 580 H ILE 81 H ILE 81 -8.525 -2.872 -5.775 581 HA ILE 81 HA ILE 81 -7.344 -3.060 -3.076 582 HB ILE 81 HB ILE 81 -6.448 -1.419 -5.457 583 HG12 ILE 81 2HG1 ILE 81 -5.087 -3.596 -3.856 584 HG13 ILE 81 1HG1 ILE 81 -5.704 -3.748 -5.497 585 HG21 ILE 81 1HG2 ILE 81 -6.317 -0.089 -3.403 586 HG22 ILE 81 2HG2 ILE 81 -4.715 -0.488 -4.024 587 HG23 ILE 81 3HG2 ILE 81 -5.368 -1.365 -2.641 588 HD11 ILE 81 3HD1 ILE 81 -3.387 -2.086 -4.559 589 HD12 ILE 81 1HD1 ILE 81 -4.074 -1.993 -6.183 590 HD13 ILE 81 2HD1 ILE 81 -3.350 -3.499 -5.614 591 H CYS 82 H CYS 82 -8.476 -1.894 -1.627 592 HA CYS 82 HA CYS 82 -10.109 0.309 -2.655 593 HB2 CYS 82 2HB CYS 82 -10.380 -1.290 -0.122 594 HB3 CYS 82 1HB CYS 82 -11.404 0.076 -0.546 595 HG CYS 82 HG CYS 82 -12.253 -1.252 -2.978 596 H LEU 83 H LEU 83 -9.910 2.329 -2.015 597 HA LEU 83 HA LEU 83 -7.886 2.950 0.026 598 HB2 LEU 83 2HB LEU 83 -7.100 3.889 -1.938 599 HB3 LEU 83 1HB LEU 83 -8.703 4.275 -2.523 600 HG LEU 83 HG LEU 83 -8.864 6.181 -1.077 601 HD11 LEU 83 1HD1 LEU 83 -7.614 5.086 0.837 602 HD12 LEU 83 2HD1 LEU 83 -7.308 6.800 0.571 603 HD13 LEU 83 3HD1 LEU 83 -6.132 5.600 0.030 604 HD21 LEU 83 3HD2 LEU 83 -6.885 7.500 -1.843 605 HD22 LEU 83 1HD2 LEU 83 -7.734 6.631 -3.121 606 HD23 LEU 83 2HD2 LEU 83 -6.213 6.003 -2.488 607 H PHE 84 H PHE 84 -9.025 3.204 1.894 608 HA PHE 84 HA PHE 84 -11.516 4.732 1.843 609 HB2 PHE 84 2HB PHE 84 -11.000 2.477 3.160 610 HB3 PHE 84 1HB PHE 84 -10.408 3.608 4.373 611 HD1 PHE 84 1HD PHE 84 -12.009 5.467 5.123 612 HD2 PHE 84 2HD PHE 84 -13.261 1.998 3.001 613 HE1 PHE 84 1HE PHE 84 -14.314 5.822 5.908 614 HE2 PHE 84 2HE PHE 84 -15.568 2.348 3.780 615 HZ PHE 84 HZ PHE 84 -16.097 4.262 5.235 616 H ARG 85 H ARG 85 -11.484 6.847 2.234 617 HA ARG 85 HA ARG 85 -9.156 7.979 3.628 618 HB2 ARG 85 2HB ARG 85 -11.066 9.803 2.301 619 HB3 ARG 85 1HB ARG 85 -9.308 9.821 2.317 620 HG2 ARG 85 2HG ARG 85 -9.280 7.995 0.685 621 HG3 ARG 85 1HG ARG 85 -11.049 8.028 0.642 622 HD2 ARG 85 2HD ARG 85 -9.139 10.185 -0.238 623 HD3 ARG 85 1HD ARG 85 -10.263 9.263 -1.238 624 HE ARG 85 HE ARG 85 -11.670 10.682 0.761 625 HH11 ARG 85 1HH1 ARG 85 -9.954 11.141 -2.235 626 HH12 ARG 85 2HH1 ARG 85 -10.834 12.567 -2.673 627 HH21 ARG 85 1HH2 ARG 85 -12.833 12.567 0.197 628 HH22 ARG 85 2HH2 ARG 85 -12.468 13.380 -1.289 629 H LEU 86 H LEU 86 -9.964 7.388 5.685 630 HA LEU 86 HA LEU 86 -12.165 7.606 7.052 631 HB2 LEU 86 2HB LEU 86 -10.306 7.185 8.344 632 HB3 LEU 86 1HB LEU 86 -9.449 8.597 7.761 633 HG LEU 86 HG LEU 86 -10.986 10.025 9.109 634 HD11 LEU 86 1HD1 LEU 86 -11.897 7.384 10.244 635 HD12 LEU 86 2HD1 LEU 86 -12.868 8.470 9.249 636 HD13 LEU 86 3HD1 LEU 86 -12.334 8.981 10.850 637 HD21 LEU 86 3HD2 LEU 86 -9.427 7.934 10.618 638 HD22 LEU 86 1HD2 LEU 86 -9.953 9.491 11.262 639 HD23 LEU 86 2HD2 LEU 86 -8.786 9.433 9.940 640 H VAL 87 H VAL 87 -10.272 10.599 6.584 641 HA VAL 87 HA VAL 87 -11.830 12.457 7.740 642 HB VAL 87 HB VAL 87 -11.284 13.814 5.446 643 HG11 VAL 87 1HG1 VAL 87 -9.408 13.176 7.716 644 HG12 VAL 87 2HG1 VAL 87 -10.599 14.475 7.666 645 HG13 VAL 87 3HG1 VAL 87 -9.210 14.511 6.580 646 HG21 VAL 87 3HG2 VAL 87 -9.299 11.556 5.656 647 HG22 VAL 87 1HG2 VAL 87 -9.065 13.013 4.687 648 HG23 VAL 87 2HG2 VAL 87 -10.378 11.901 4.300 649 H ASP 88 H ASP 88 -12.205 11.989 4.234 650 HA ASP 88 HA ASP 88 -14.911 12.968 4.387 651 HB2 ASP 88 2HB ASP 88 -13.093 12.169 2.129 652 HB3 ASP 88 1HB ASP 88 -14.803 12.495 1.850 653 H ASN 89 H ASN 89 -13.634 10.134 5.123 654 HA ASN 89 HA ASN 89 -14.315 7.971 5.230 655 HB2 ASN 89 2HB ASN 89 -17.051 9.227 4.977 656 HB3 ASN 89 1HB ASN 89 -16.698 7.621 5.614 657 HD21 ASN 89 1HD2 ASN 89 -16.540 11.040 6.196 658 HD22 ASN 89 2HD2 ASN 89 -16.191 10.942 7.885 659 H GLU 90 H GLU 90 -13.688 8.961 2.580 660 HA GLU 90 HA GLU 90 -15.603 7.838 0.750 661 HB2 GLU 90 2HB GLU 90 -12.743 8.671 0.244 662 HB3 GLU 90 1HB GLU 90 -13.969 8.365 -0.978 663 HG2 GLU 90 2HG GLU 90 -14.127 10.525 1.101 664 HG3 GLU 90 1HG GLU 90 -13.561 10.757 -0.550 665 H GLN 91 H GLN 91 -15.010 6.129 -0.804 666 HA GLN 91 HA GLN 91 -13.016 4.224 0.129 667 HB2 GLN 91 2HB GLN 91 -15.076 3.611 1.330 668 HB3 GLN 91 1HB GLN 91 -15.926 3.474 -0.202 669 HG2 GLN 91 2HG GLN 91 -13.469 1.858 0.109 670 HG3 GLN 91 1HG GLN 91 -14.866 1.388 1.077 671 HE21 GLN 91 1HE2 GLN 91 -16.778 2.328 -0.913 672 HE22 GLN 91 2HE2 GLN 91 -16.751 1.166 -2.191 673 H LEU 92 H LEU 92 -11.893 4.575 -1.761 674 HA LEU 92 HA LEU 92 -13.151 4.301 -4.336 675 HB2 LEU 92 2HB LEU 92 -10.220 4.409 -3.598 676 HB3 LEU 92 1HB LEU 92 -10.858 4.502 -5.224 677 HG LEU 92 HG LEU 92 -10.273 6.707 -4.591 678 HD11 LEU 92 1HD1 LEU 92 -12.426 7.894 -4.601 679 HD12 LEU 92 2HD1 LEU 92 -13.250 6.363 -4.306 680 HD13 LEU 92 3HD1 LEU 92 -12.350 6.606 -5.803 681 HD21 LEU 92 3HD2 LEU 92 -12.017 6.552 -2.154 682 HD22 LEU 92 1HD2 LEU 92 -10.830 7.781 -2.584 683 HD23 LEU 92 2HD2 LEU 92 -10.297 6.169 -2.111 684 H ASN 93 H ASN 93 -12.883 2.545 -5.787 685 HA ASN 93 HA ASN 93 -11.768 0.116 -4.552 686 HB2 ASN 93 2HB ASN 93 -13.639 -1.070 -5.939 687 HB3 ASN 93 1HB ASN 93 -14.016 -0.365 -4.372 688 HD21 ASN 93 1HD2 ASN 93 -16.176 -0.091 -4.862 689 HD22 ASN 93 2HD2 ASN 93 -16.733 1.100 -5.983 690 H LEU 94 H LEU 94 -9.873 0.177 -5.699 691 HA LEU 94 HA LEU 94 -9.831 0.317 -8.575 692 HB2 LEU 94 2HB LEU 94 -7.986 1.005 -6.862 693 HB3 LEU 94 1HB LEU 94 -7.591 -0.701 -6.841 694 HG LEU 94 HG LEU 94 -7.706 0.650 -9.485 695 HD11 LEU 94 1HD1 LEU 94 -5.437 0.963 -7.522 696 HD12 LEU 94 2HD1 LEU 94 -6.469 2.255 -8.141 697 HD13 LEU 94 3HD1 LEU 94 -5.380 1.395 -9.231 698 HD21 LEU 94 3HD2 LEU 94 -5.979 -1.476 -8.227 699 HD22 LEU 94 1HD2 LEU 94 -5.817 -0.893 -9.884 700 HD23 LEU 94 2HD2 LEU 94 -7.290 -1.718 -9.380 701 H GLU 95 H GLU 95 -11.375 -1.388 -8.927 702 HA GLU 95 HA GLU 95 -10.813 -4.064 -8.058 703 HB2 GLU 95 2HB GLU 95 -12.855 -3.140 -10.072 704 HB3 GLU 95 1HB GLU 95 -12.834 -4.673 -9.210 705 HG2 GLU 95 2HG GLU 95 -13.267 -3.588 -7.132 706 HG3 GLU 95 1HG GLU 95 -13.083 -1.996 -7.868 707 H ASP 96 H ASP 96 -11.587 -5.601 -10.163 708 HA ASP 96 HA ASP 96 -9.229 -6.237 -11.430 709 HB2 ASP 96 2HB ASP 96 -11.072 -7.797 -11.318 710 HB3 ASP 96 1HB ASP 96 -12.062 -6.761 -12.343 711 H GLU 97 H GLU 97 -11.753 -4.026 -12.530 712 HA GLU 97 HA GLU 97 -10.938 -3.675 -15.168 713 HB2 GLU 97 2HB GLU 97 -11.990 -1.416 -14.994 714 HB3 GLU 97 1HB GLU 97 -13.012 -2.724 -14.411 715 HG2 GLU 97 2HG GLU 97 -12.424 -2.166 -12.111 716 HG3 GLU 97 1HG GLU 97 -11.387 -0.864 -12.690 717 H ASP 98 H ASP 98 -9.336 -2.911 -12.311 718 HA ASP 98 HA ASP 98 -7.352 -1.320 -13.778 719 HB2 ASP 98 2HB ASP 98 -8.387 -0.834 -10.972 720 HB3 ASP 98 1HB ASP 98 -6.956 -0.053 -11.644 721 H ILE 99 H ILE 99 -7.994 -4.021 -11.824 722 HA ILE 99 HA ILE 99 -5.307 -4.224 -10.730 723 HB ILE 99 HB ILE 99 -7.723 -6.022 -10.479 724 HG12 ILE 99 2HG1 ILE 99 -7.682 -3.798 -9.302 725 HG13 ILE 99 1HG1 ILE 99 -7.903 -5.197 -8.264 726 HG21 ILE 99 1HG2 ILE 99 -6.386 -7.178 -8.701 727 HG22 ILE 99 2HG2 ILE 99 -4.960 -6.348 -9.326 728 HG23 ILE 99 3HG2 ILE 99 -5.846 -7.477 -10.354 729 HD11 ILE 99 3HD1 ILE 99 -5.519 -5.084 -7.668 730 HD12 ILE 99 1HD1 ILE 99 -6.409 -3.627 -7.233 731 HD13 ILE 99 2HD1 ILE 99 -5.364 -3.632 -8.656 732 H GLU 100 H GLU 100 -7.212 -5.567 -13.341 733 HA GLU 100 HA GLU 100 -5.771 -7.871 -13.918 734 HB2 GLU 100 2HB GLU 100 -6.601 -7.626 -16.226 735 HB3 GLU 100 1HB GLU 100 -7.864 -7.359 -15.033 736 HG2 GLU 100 2HG GLU 100 -7.582 -4.930 -15.316 737 HG3 GLU 100 1HG GLU 100 -6.374 -5.237 -16.563 738 H SER 101 H SER 101 -5.194 -4.546 -15.010 739 HA SER 101 HA SER 101 -2.491 -5.379 -15.838 740 HB2 SER 101 2HB SER 101 -4.223 -3.217 -17.069 741 HB3 SER 101 1HB SER 101 -2.566 -3.587 -17.542 742 HG SER 101 HG SER 101 -4.599 -4.608 -18.632 743 H ILE 102 H ILE 102 -3.191 -4.569 -13.229 744 HA ILE 102 HA ILE 102 -2.768 -1.851 -12.701 745 HB ILE 102 HB ILE 102 -3.694 -3.387 -11.033 746 HG12 ILE 102 2HG1 ILE 102 -2.188 -2.651 -9.092 747 HG13 ILE 102 1HG1 ILE 102 -1.169 -1.900 -10.311 748 HG21 ILE 102 1HG2 ILE 102 -2.112 -4.855 -9.767 749 HG22 ILE 102 2HG2 ILE 102 -0.908 -4.546 -11.018 750 HG23 ILE 102 3HG2 ILE 102 -2.412 -5.369 -11.426 751 HD11 ILE 102 3HD1 ILE 102 -3.106 -0.558 -11.046 752 HD12 ILE 102 1HD1 ILE 102 -2.627 -0.252 -9.375 753 HD13 ILE 102 2HD1 ILE 102 -4.040 -1.249 -9.720 754 H ASP 103 H ASP 103 -0.971 -0.682 -12.156 755 HA ASP 103 HA ASP 103 1.646 -1.980 -12.294 756 HB2 ASP 103 2HB ASP 103 0.962 0.531 -13.837 757 HB3 ASP 103 1HB ASP 103 2.538 -0.248 -13.762 758 H ALA 104 H ALA 104 3.297 -0.840 -11.149 759 HA ALA 104 HA ALA 104 2.590 0.298 -8.768 760 HB1 ALA 104 1HB ALA 104 4.880 1.216 -8.660 761 HB2 ALA 104 2HB ALA 104 5.094 0.790 -10.358 762 HB3 ALA 104 3HB ALA 104 4.818 -0.476 -9.158 763 H THR 105 H THR 105 3.152 1.926 -11.835 764 HA THR 105 HA THR 105 2.964 4.580 -10.936 765 HB THR 105 HB THR 105 2.175 3.432 -13.620 766 HG1 THR 105 1HG THR 105 4.266 3.886 -14.205 767 HG21 THR 105 3HG2 THR 105 2.574 5.760 -14.416 768 HG22 THR 105 1HG2 THR 105 2.679 6.265 -12.729 769 HG23 THR 105 2HG2 THR 105 1.173 5.590 -13.355 770 H LYS 106 H LYS 106 0.507 2.361 -12.210 771 HA LYS 106 HA LYS 106 -1.665 4.114 -12.138 772 HB2 LYS 106 2HB LYS 106 -1.639 1.110 -11.788 773 HB3 LYS 106 1HB LYS 106 -3.064 2.078 -12.146 774 HG2 LYS 106 2HG LYS 106 -2.141 2.730 -14.273 775 HG3 LYS 106 1HG LYS 106 -0.631 1.891 -13.912 776 HD2 LYS 106 2HD LYS 106 -1.915 0.479 -15.353 777 HD3 LYS 106 1HD LYS 106 -1.961 -0.229 -13.737 778 HE2 LYS 106 2HE LYS 106 -4.164 0.712 -13.357 779 HE3 LYS 106 1HE LYS 106 -4.116 1.513 -14.926 780 HZ1 LYS 106 3HZ LYS 106 -4.059 -0.641 -15.999 781 HZ2 LYS 106 1HZ LYS 106 -5.413 -0.531 -14.991 782 HZ3 LYS 106 2HZ LYS 106 -4.065 -1.426 -14.500 783 H LEU 107 H LEU 107 -0.801 1.607 -9.717 784 HA LEU 107 HA LEU 107 -2.745 2.202 -7.847 785 HB2 LEU 107 2HB LEU 107 -0.498 0.568 -7.927 786 HB3 LEU 107 1HB LEU 107 -0.165 1.653 -6.595 787 HG LEU 107 HG LEU 107 -2.348 -0.385 -6.862 788 HD11 LEU 107 1HD1 LEU 107 -1.555 -0.740 -4.438 789 HD12 LEU 107 2HD1 LEU 107 -0.169 0.248 -4.906 790 HD13 LEU 107 3HD1 LEU 107 -0.505 -1.262 -5.753 791 HD21 LEU 107 3HD2 LEU 107 -3.439 0.550 -4.869 792 HD22 LEU 107 1HD2 LEU 107 -3.524 1.653 -6.242 793 HD23 LEU 107 2HD2 LEU 107 -2.367 1.947 -4.945 794 H SER 108 H SER 108 0.598 3.444 -7.898 795 HA SER 108 HA SER 108 0.350 5.274 -5.812 796 HB2 SER 108 2HB SER 108 2.108 5.446 -8.271 797 HB3 SER 108 1HB SER 108 2.325 6.389 -6.797 798 HG SER 108 HG SER 108 3.036 4.655 -5.766 799 H ARG 109 H ARG 109 -0.639 5.496 -9.143 800 HA ARG 109 HA ARG 109 -1.003 8.307 -9.217 801 HB2 ARG 109 2HB ARG 109 -0.761 6.868 -11.235 802 HB3 ARG 109 1HB ARG 109 -2.337 6.181 -10.899 803 HG2 ARG 109 2HG ARG 109 -2.014 9.131 -11.264 804 HG3 ARG 109 1HG ARG 109 -2.132 8.052 -12.656 805 HD2 ARG 109 2HD ARG 109 -4.240 7.136 -11.553 806 HD3 ARG 109 1HD ARG 109 -4.156 8.543 -10.486 807 HE ARG 109 HE ARG 109 -3.993 9.545 -13.043 808 HH11 ARG 109 1HH1 ARG 109 -6.277 7.628 -11.238 809 HH12 ARG 109 2HH1 ARG 109 -7.652 8.210 -12.114 810 HH21 ARG 109 1HH2 ARG 109 -5.798 10.315 -14.202 811 HH22 ARG 109 2HH2 ARG 109 -7.381 9.737 -13.799 812 H PHE 110 H PHE 110 -3.439 5.717 -9.274 813 HA PHE 110 HA PHE 110 -5.700 7.131 -8.762 814 HB2 PHE 110 2HB PHE 110 -4.838 4.383 -7.939 815 HB3 PHE 110 1HB PHE 110 -6.358 5.023 -7.319 816 HD1 PHE 110 1HD PHE 110 -4.519 4.164 -10.406 817 HD2 PHE 110 2HD PHE 110 -8.283 5.116 -8.666 818 HE1 PHE 110 1HE PHE 110 -5.645 3.504 -12.491 819 HE2 PHE 110 2HE PHE 110 -9.416 4.458 -10.749 820 HZ PHE 110 HZ PHE 110 -8.097 3.650 -12.664 821 H ILE 111 H ILE 111 -3.344 5.999 -6.375 822 HA ILE 111 HA ILE 111 -4.657 6.968 -4.085 823 HB ILE 111 HB ILE 111 -1.697 6.617 -4.596 824 HG12 ILE 111 2HG1 ILE 111 -3.367 4.819 -2.890 825 HG13 ILE 111 1HG1 ILE 111 -3.448 4.649 -4.637 826 HG21 ILE 111 1HG2 ILE 111 -3.175 7.031 -2.001 827 HG22 ILE 111 2HG2 ILE 111 -2.052 8.163 -2.763 828 HG23 ILE 111 3HG2 ILE 111 -1.467 6.614 -2.149 829 HD11 ILE 111 3HD1 ILE 111 -0.911 4.531 -3.035 830 HD12 ILE 111 1HD1 ILE 111 -1.098 4.195 -4.755 831 HD13 ILE 111 2HD1 ILE 111 -1.834 3.123 -3.563 832 H GLU 112 H GLU 112 -1.978 8.376 -5.953 833 HA GLU 112 HA GLU 112 -1.816 10.823 -4.680 834 HB2 GLU 112 2HB GLU 112 -0.243 9.943 -6.421 835 HB3 GLU 112 1HB GLU 112 -1.450 10.339 -7.641 836 HG2 GLU 112 2HG GLU 112 -1.303 12.699 -7.011 837 HG3 GLU 112 1HG GLU 112 -0.081 12.295 -5.806 838 H ILE 113 H ILE 113 -4.260 9.569 -6.685 839 HA ILE 113 HA ILE 113 -5.339 12.142 -7.449 840 HB ILE 113 HB ILE 113 -5.734 9.354 -8.261 841 HG12 ILE 113 2HG1 ILE 113 -6.066 10.396 -10.450 842 HG13 ILE 113 1HG1 ILE 113 -6.135 11.985 -9.694 843 HG21 ILE 113 1HG2 ILE 113 -8.012 9.769 -9.169 844 HG22 ILE 113 2HG2 ILE 113 -8.100 11.203 -8.144 845 HG23 ILE 113 3HG2 ILE 113 -7.935 9.603 -7.417 846 HD11 ILE 113 3HD1 ILE 113 -3.823 11.787 -9.013 847 HD12 ILE 113 1HD1 ILE 113 -3.973 11.531 -10.749 848 HD13 ILE 113 2HD1 ILE 113 -3.747 10.154 -9.673 849 H ASN 114 H ASN 114 -6.082 9.523 -5.184 850 HA ASN 114 HA ASN 114 -8.192 11.250 -4.066 851 HB2 ASN 114 2HB ASN 114 -8.250 8.239 -4.322 852 HB3 ASN 114 1HB ASN 114 -9.426 9.194 -3.418 853 HD21 ASN 114 1HD2 ASN 114 -9.636 7.451 -5.834 854 HD22 ASN 114 2HD2 ASN 114 -10.422 8.432 -7.018 855 H SER 115 H SER 115 -5.373 10.999 -3.272 856 HA SER 115 HA SER 115 -5.437 9.588 -0.748 857 HB2 SER 115 2HB SER 115 -3.133 10.405 -0.477 858 HB3 SER 115 1HB SER 115 -3.357 9.679 -2.070 859 HG SER 115 HG SER 115 -2.237 11.705 -2.122 860 H LEU 116 H LEU 116 -7.466 11.368 -0.782 861 HA LEU 116 HA LEU 116 -6.601 13.748 0.667 862 HB2 LEU 116 2HB LEU 116 -9.364 12.989 -0.262 863 HB3 LEU 116 1HB LEU 116 -8.851 14.557 0.336 864 HG LEU 116 HG LEU 116 -7.967 13.258 -2.241 865 HD11 LEU 116 1HD1 LEU 116 -9.722 15.652 -1.715 866 HD12 LEU 116 2HD1 LEU 116 -10.253 14.082 -2.318 867 HD13 LEU 116 3HD1 LEU 116 -9.191 15.090 -3.300 868 HD21 LEU 116 3HD2 LEU 116 -6.832 15.385 -2.691 869 HD22 LEU 116 1HD2 LEU 116 -6.162 14.575 -1.274 870 HD23 LEU 116 2HD2 LEU 116 -7.252 15.947 -1.073 Start of MODEL 32 1 H GLU 1 H GLU 1 18.774 3.519 22.467 2 HA GLU 1 HA GLU 1 17.723 5.711 21.011 3 HB2 GLU 1 2HB GLU 1 20.569 6.137 21.938 4 HB3 GLU 1 1HB GLU 1 19.745 7.101 20.721 5 HG2 GLU 1 2HG GLU 1 18.110 7.808 22.400 6 HG3 GLU 1 1HG GLU 1 18.963 6.863 23.617 7 H VAL 2 H VAL 2 18.903 2.816 21.139 8 HA VAL 2 HA VAL 2 20.815 2.580 19.095 9 HB VAL 2 HB VAL 2 20.275 0.768 20.695 10 HG11 VAL 2 1HG1 VAL 2 17.837 1.012 20.677 11 HG12 VAL 2 2HG1 VAL 2 18.328 -0.646 20.333 12 HG13 VAL 2 3HG1 VAL 2 17.792 0.403 19.023 13 HG21 VAL 2 3HG2 VAL 2 21.502 0.260 18.653 14 HG22 VAL 2 1HG2 VAL 2 19.986 0.010 17.789 15 HG23 VAL 2 2HG2 VAL 2 20.446 -1.082 19.095 16 H GLU 3 H GLU 3 20.639 2.104 16.903 17 HA GLU 3 HA GLU 3 18.029 1.993 15.655 18 HB2 GLU 3 2HB GLU 3 18.470 4.423 15.911 19 HB3 GLU 3 1HB GLU 3 19.943 4.232 14.972 20 HG2 GLU 3 2HG GLU 3 18.677 3.587 13.029 21 HG3 GLU 3 1HG GLU 3 17.177 3.614 13.957 22 H LYS 4 H LYS 4 18.606 -0.007 14.862 23 HA LYS 4 HA LYS 4 20.988 -0.198 13.177 24 HB2 LYS 4 2HB LYS 4 19.055 -2.365 14.027 25 HB3 LYS 4 1HB LYS 4 20.580 -2.608 13.186 26 HG2 LYS 4 2HG LYS 4 20.281 -1.464 15.957 27 HG3 LYS 4 1HG LYS 4 20.739 -3.123 15.572 28 HD2 LYS 4 2HD LYS 4 22.752 -2.345 14.466 29 HD3 LYS 4 1HD LYS 4 22.278 -0.667 14.734 30 HE2 LYS 4 2HE LYS 4 22.395 -1.029 17.156 31 HE3 LYS 4 1HE LYS 4 22.886 -2.699 16.880 32 HZ1 LYS 4 3HZ LYS 4 24.880 -1.908 15.787 33 HZ2 LYS 4 1HZ LYS 4 24.777 -1.262 17.347 34 HZ3 LYS 4 2HZ LYS 4 24.403 -0.300 16.007 35 H SER 5 H SER 5 18.374 1.202 12.528 36 HA SER 5 HA SER 5 17.084 1.595 10.707 37 HB2 SER 5 2HB SER 5 19.212 1.562 9.489 38 HB3 SER 5 1HB SER 5 19.091 -0.189 9.307 39 HG SER 5 HG SER 5 17.830 0.120 7.663 40 H SER 6 H SER 6 17.970 -1.607 9.538 41 HA SER 6 HA SER 6 15.433 -2.720 10.441 42 HB2 SER 6 2HB SER 6 14.874 -1.724 8.274 43 HB3 SER 6 1HB SER 6 16.209 -2.592 7.515 44 HG SER 6 HG SER 6 14.252 -3.693 7.201 45 H ASP 7 H ASP 7 15.465 -4.914 10.705 46 HA ASP 7 HA ASP 7 18.082 -6.170 10.536 47 HB2 ASP 7 2HB ASP 7 15.479 -7.068 11.784 48 HB3 ASP 7 1HB ASP 7 16.955 -8.028 11.798 49 H GLY 8 H GLY 8 17.660 -5.946 8.062 50 HA2 GLY 8 2HA GLY 8 17.829 -8.156 6.689 51 HA3 GLY 8 1HA GLY 8 16.110 -8.226 7.049 52 HA PRO 9 HA PRO 9 17.148 -4.524 3.965 53 HB2 PRO 9 2HB PRO 9 19.046 -6.041 2.279 54 HB3 PRO 9 1HB PRO 9 19.115 -4.360 2.819 55 HG2 PRO 9 2HG PRO 9 20.747 -6.211 3.850 56 HG3 PRO 9 1HG PRO 9 20.072 -4.912 4.853 57 HD2 PRO 9 2HD PRO 9 19.229 -7.779 4.643 58 HD3 PRO 9 1HD PRO 9 19.373 -6.751 6.086 59 H GLY 10 H GLY 10 15.826 -4.329 2.218 60 HA2 GLY 10 2HA GLY 10 14.808 -5.058 0.203 61 HA3 GLY 10 1HA GLY 10 15.218 -6.713 0.625 62 H ALA 11 H ALA 11 13.446 -4.121 2.314 63 HA ALA 11 HA ALA 11 10.911 -5.361 2.029 64 HB1 ALA 11 1HB ALA 11 11.818 -6.987 3.587 65 HB2 ALA 11 2HB ALA 11 10.558 -6.033 4.370 66 HB3 ALA 11 3HB ALA 11 12.257 -5.699 4.709 67 H ALA 12 H ALA 12 12.677 -3.553 4.541 68 HA ALA 12 HA ALA 12 12.362 -1.506 5.469 69 HB1 ALA 12 1HB ALA 12 11.681 0.285 4.082 70 HB2 ALA 12 2HB ALA 12 10.764 -0.788 3.025 71 HB3 ALA 12 3HB ALA 12 12.526 -0.861 3.038 72 H GLN 13 H GLN 13 9.294 -1.499 3.703 73 HA GLN 13 HA GLN 13 7.848 -2.072 6.172 74 HB2 GLN 13 2HB GLN 13 6.359 -0.111 5.807 75 HB3 GLN 13 1HB GLN 13 8.009 0.325 6.228 76 HG2 GLN 13 2HG GLN 13 8.482 0.756 3.856 77 HG3 GLN 13 1HG GLN 13 6.804 0.370 3.468 78 HE21 GLN 13 1HE2 GLN 13 8.327 2.848 3.100 79 HE22 GLN 13 2HE2 GLN 13 7.438 4.074 3.932 80 H GLU 14 H GLU 14 5.994 -3.176 5.870 81 HA GLU 14 HA GLU 14 5.071 -3.533 3.094 82 HB2 GLU 14 2HB GLU 14 4.623 -5.842 3.529 83 HB3 GLU 14 1HB GLU 14 6.269 -5.518 4.056 84 HG2 GLU 14 2HG GLU 14 5.463 -5.344 6.375 85 HG3 GLU 14 1HG GLU 14 3.842 -5.750 5.818 86 HA PRO 15 HA PRO 15 1.018 -2.385 4.378 87 HB2 PRO 15 2HB PRO 15 -0.572 -4.117 2.992 88 HB3 PRO 15 1HB PRO 15 0.255 -2.739 2.254 89 HG2 PRO 15 2HG PRO 15 1.022 -5.624 2.271 90 HG3 PRO 15 1HG PRO 15 1.114 -4.444 0.951 91 HD2 PRO 15 2HD PRO 15 3.271 -5.176 2.417 92 HD3 PRO 15 1HD PRO 15 3.093 -3.558 1.714 93 H THR 16 H THR 16 -0.423 -2.784 5.961 94 HA THR 16 HA THR 16 0.011 -4.789 7.841 95 HB THR 16 HB THR 16 -2.598 -3.326 7.412 96 HG1 THR 16 1HG THR 16 -1.317 -1.648 7.746 97 HG21 THR 16 3HG2 THR 16 -1.334 -4.493 9.894 98 HG22 THR 16 1HG2 THR 16 -2.701 -5.178 9.017 99 HG23 THR 16 2HG2 THR 16 -2.865 -3.619 9.824 100 H TRP 17 H TRP 17 -1.232 -6.595 8.467 101 HA TRP 17 HA TRP 17 -2.471 -7.982 6.205 102 HB2 TRP 17 2HB TRP 17 -1.446 -9.035 8.849 103 HB3 TRP 17 1HB TRP 17 -2.134 -10.025 7.568 104 HD1 TRP 17 HD TRP 17 0.869 -7.613 8.059 105 HE1 TRP 17 1HE TRP 17 2.816 -8.473 6.613 106 HE3 TRP 17 3HE TRP 17 -1.479 -11.546 5.789 107 HZ2 TRP 17 2HZ TRP 17 3.296 -10.547 4.757 108 HZ3 TRP 17 3HZ TRP 17 -0.205 -12.919 4.192 109 HH2 TRP 17 HH TRP 17 2.133 -12.428 3.688 110 H LEU 18 H LEU 18 -4.473 -6.853 6.356 111 HA LEU 18 HA LEU 18 -6.068 -7.040 8.758 112 HB2 LEU 18 2HB LEU 18 -6.920 -6.195 5.990 113 HB3 LEU 18 1HB LEU 18 -7.743 -5.850 7.501 114 HG LEU 18 HG LEU 18 -5.006 -4.809 6.784 115 HD11 LEU 18 1HD1 LEU 18 -6.161 -2.642 6.498 116 HD12 LEU 18 2HD1 LEU 18 -7.703 -3.489 6.620 117 HD13 LEU 18 3HD1 LEU 18 -6.606 -3.844 5.286 118 HD21 LEU 18 3HD2 LEU 18 -5.346 -3.317 8.689 119 HD22 LEU 18 1HD2 LEU 18 -5.387 -5.010 9.181 120 HD23 LEU 18 2HD2 LEU 18 -6.888 -4.100 9.030 121 H THR 19 H THR 19 -5.867 -9.431 8.813 122 HA THR 19 HA THR 19 -7.168 -11.029 6.840 123 HB THR 19 HB THR 19 -6.864 -12.885 8.376 124 HG1 THR 19 1HG THR 19 -6.846 -12.508 10.453 125 HG21 THR 19 3HG2 THR 19 -4.432 -12.766 8.667 126 HG22 THR 19 1HG2 THR 19 -4.485 -11.027 8.383 127 HG23 THR 19 2HG2 THR 19 -4.920 -12.144 7.089 128 H ASP 20 H ASP 20 -8.446 -8.972 9.118 129 HA ASP 20 HA ASP 20 -10.994 -10.418 9.040 130 HB2 ASP 20 2HB ASP 20 -9.751 -9.191 11.505 131 HB3 ASP 20 1HB ASP 20 -11.423 -9.735 11.407 132 H VAL 21 H VAL 21 -12.842 -9.163 9.043 133 HA VAL 21 HA VAL 21 -12.722 -6.707 7.744 134 HB VAL 21 HB VAL 21 -15.020 -7.652 9.458 135 HG11 VAL 21 1HG1 VAL 21 -16.399 -6.329 7.979 136 HG12 VAL 21 2HG1 VAL 21 -14.990 -5.890 7.013 137 HG13 VAL 21 3HG1 VAL 21 -15.134 -5.314 8.675 138 HG21 VAL 21 3HG2 VAL 21 -14.359 -8.318 6.591 139 HG22 VAL 21 1HG2 VAL 21 -15.879 -8.704 7.398 140 HG23 VAL 21 2HG2 VAL 21 -14.373 -9.437 7.954 141 HA PRO 22 HA PRO 22 -13.678 -4.629 12.089 142 HB2 PRO 22 2HB PRO 22 -12.435 -5.975 14.161 143 HB3 PRO 22 1HB PRO 22 -14.160 -6.062 13.794 144 HG2 PRO 22 2HG PRO 22 -11.965 -7.951 13.056 145 HG3 PRO 22 1HG PRO 22 -13.615 -8.306 13.601 146 HD2 PRO 22 2HD PRO 22 -12.942 -8.491 11.022 147 HD3 PRO 22 1HD PRO 22 -14.530 -7.868 11.508 148 H ALA 23 H ALA 23 -10.702 -6.588 11.890 149 HA ALA 23 HA ALA 23 -8.992 -4.601 12.913 150 HB1 ALA 23 1HB ALA 23 -8.266 -6.845 11.031 151 HB2 ALA 23 2HB ALA 23 -8.404 -7.004 12.783 152 HB3 ALA 23 3HB ALA 23 -7.169 -5.955 12.086 153 H ALA 24 H ALA 24 -10.146 -5.355 9.723 154 HA ALA 24 HA ALA 24 -8.404 -3.711 8.237 155 HB1 ALA 24 1HB ALA 24 -11.232 -4.588 7.630 156 HB2 ALA 24 2HB ALA 24 -9.749 -5.409 7.145 157 HB3 ALA 24 3HB ALA 24 -10.141 -3.824 6.473 158 H MET 25 H MET 25 -11.776 -3.142 9.217 159 HA MET 25 HA MET 25 -11.909 -0.456 8.471 160 HB2 MET 25 2HB MET 25 -13.446 -1.793 10.701 161 HB3 MET 25 1HB MET 25 -13.916 -0.345 9.823 162 HG2 MET 25 2HG MET 25 -14.040 -1.708 7.753 163 HG3 MET 25 1HG MET 25 -13.716 -3.138 8.728 164 HE1 MET 25 3HE MET 25 -16.223 -0.195 8.031 165 HE2 MET 25 1HE MET 25 -15.875 -0.008 9.751 166 HE3 MET 25 2HE MET 25 -17.481 -0.513 9.225 167 H GLU 26 H GLU 26 -10.569 -1.977 11.310 168 HA GLU 26 HA GLU 26 -10.554 0.360 12.944 169 HB2 GLU 26 2HB GLU 26 -9.202 -2.308 13.076 170 HB3 GLU 26 1HB GLU 26 -8.673 -1.011 14.141 171 HG2 GLU 26 2HG GLU 26 -11.057 -0.786 14.886 172 HG3 GLU 26 1HG GLU 26 -11.397 -2.263 13.984 173 H PHE 27 H PHE 27 -8.039 -1.265 11.013 174 HA PHE 27 HA PHE 27 -6.030 0.622 11.518 175 HB2 PHE 27 2HB PHE 27 -6.461 -1.514 9.507 176 HB3 PHE 27 1HB PHE 27 -5.287 -0.268 9.094 177 HD1 PHE 27 2HD PHE 27 -6.135 -2.883 11.554 178 HD2 PHE 27 1HD PHE 27 -3.171 -0.178 10.142 179 HE1 PHE 27 2HE PHE 27 -4.452 -4.007 12.951 180 HE2 PHE 27 1HE PHE 27 -1.481 -1.293 11.538 181 HZ PHE 27 HZ PHE 27 -2.120 -3.213 12.946 182 H ILE 28 H ILE 28 -8.676 0.552 9.244 183 HA ILE 28 HA ILE 28 -7.788 2.795 7.698 184 HB ILE 28 HB ILE 28 -10.437 1.391 7.969 185 HG12 ILE 28 2HG1 ILE 28 -8.725 1.799 5.518 186 HG13 ILE 28 1HG1 ILE 28 -8.477 0.451 6.627 187 HG21 ILE 28 1HG2 ILE 28 -11.248 2.852 6.114 188 HG22 ILE 28 2HG2 ILE 28 -9.842 3.881 6.383 189 HG23 ILE 28 3HG2 ILE 28 -11.044 3.681 7.655 190 HD11 ILE 28 3HD1 ILE 28 -10.564 -0.491 6.110 191 HD12 ILE 28 1HD1 ILE 28 -9.869 0.004 4.568 192 HD13 ILE 28 2HD1 ILE 28 -11.123 0.986 5.322 193 H ALA 29 H ALA 29 -9.845 2.308 10.497 194 HA ALA 29 HA ALA 29 -10.781 4.999 10.638 195 HB1 ALA 29 1HB ALA 29 -10.776 2.808 12.717 196 HB2 ALA 29 2HB ALA 29 -12.084 3.196 11.598 197 HB3 ALA 29 3HB ALA 29 -11.631 4.346 12.855 198 H ALA 30 H ALA 30 -7.896 3.413 11.552 199 HA ALA 30 HA ALA 30 -7.190 5.441 13.536 200 HB1 ALA 30 1HB ALA 30 -6.700 3.093 14.036 201 HB2 ALA 30 2HB ALA 30 -5.231 4.070 13.976 202 HB3 ALA 30 3HB ALA 30 -5.647 3.018 12.622 203 H THR 31 H THR 31 -7.490 6.117 10.699 204 HA THR 31 HA THR 31 -5.139 7.694 10.403 205 HB THR 31 HB THR 31 -4.205 5.563 9.626 206 HG1 THR 31 1HG THR 31 -4.540 7.023 7.255 207 HG21 THR 31 3HG2 THR 31 -6.708 5.126 8.569 208 HG22 THR 31 1HG2 THR 31 -5.269 4.160 8.247 209 HG23 THR 31 2HG2 THR 31 -5.726 5.457 7.143 210 H GLU 32 H GLU 32 -5.283 9.197 8.696 211 HA GLU 32 HA GLU 32 -7.940 9.974 8.002 212 HB2 GLU 32 2HB GLU 32 -5.906 11.471 8.400 213 HB3 GLU 32 1HB GLU 32 -5.391 11.028 6.779 214 HG2 GLU 32 2HG GLU 32 -7.399 11.977 5.842 215 HG3 GLU 32 1HG GLU 32 -8.012 12.333 7.457 216 H VAL 33 H VAL 33 -5.242 8.537 6.219 217 HA VAL 33 HA VAL 33 -7.128 7.827 4.072 218 HB VAL 33 HB VAL 33 -4.232 8.528 3.603 219 HG11 VAL 33 1HG1 VAL 33 -5.164 7.013 1.954 220 HG12 VAL 33 2HG1 VAL 33 -4.918 8.608 1.242 221 HG13 VAL 33 3HG1 VAL 33 -6.542 8.092 1.709 222 HG21 VAL 33 3HG2 VAL 33 -5.079 10.618 2.597 223 HG22 VAL 33 1HG2 VAL 33 -5.385 10.524 4.333 224 HG23 VAL 33 2HG2 VAL 33 -6.694 10.218 3.188 225 H ALA 34 H ALA 34 -7.082 5.723 3.451 226 HA ALA 34 HA ALA 34 -4.838 4.055 4.335 227 HB1 ALA 34 1HB ALA 34 -6.428 2.321 5.108 228 HB2 ALA 34 2HB ALA 34 -7.743 3.472 4.872 229 HB3 ALA 34 3HB ALA 34 -6.485 3.802 6.064 230 H VAL 35 H VAL 35 -4.141 2.719 2.825 231 HA VAL 35 HA VAL 35 -5.952 2.051 0.601 232 HB VAL 35 HB VAL 35 -2.978 2.543 0.576 233 HG11 VAL 35 1HG1 VAL 35 -4.681 1.287 -1.582 234 HG12 VAL 35 2HG1 VAL 35 -3.362 0.512 -0.702 235 HG13 VAL 35 3HG1 VAL 35 -3.024 1.853 -1.798 236 HG21 VAL 35 3HG2 VAL 35 -3.642 4.123 -1.216 237 HG22 VAL 35 1HG2 VAL 35 -4.358 4.498 0.354 238 HG23 VAL 35 2HG2 VAL 35 -5.330 3.713 -0.893 239 H ILE 36 H ILE 36 -6.373 -0.018 0.301 240 HA ILE 36 HA ILE 36 -4.614 -2.004 1.568 241 HB ILE 36 HB ILE 36 -7.617 -1.910 1.789 242 HG12 ILE 36 2HG1 ILE 36 -5.712 -1.954 4.092 243 HG13 ILE 36 1HG1 ILE 36 -5.973 -0.441 3.234 244 HG21 ILE 36 1HG2 ILE 36 -7.310 -3.898 3.268 245 HG22 ILE 36 2HG2 ILE 36 -5.634 -3.989 2.714 246 HG23 ILE 36 3HG2 ILE 36 -6.957 -4.202 1.566 247 HD11 ILE 36 3HD1 ILE 36 -8.396 -0.695 3.671 248 HD12 ILE 36 1HD1 ILE 36 -7.407 -0.512 5.120 249 HD13 ILE 36 2HD1 ILE 36 -8.016 -2.104 4.662 250 H GLY 37 H GLY 37 -4.248 -3.820 0.469 251 HA2 GLY 37 2HA GLY 37 -5.479 -4.047 -2.176 252 HA3 GLY 37 1HA GLY 37 -3.976 -4.795 -1.682 253 H PHE 38 H PHE 38 -7.400 -5.107 -1.864 254 HA PHE 38 HA PHE 38 -7.530 -7.529 -0.275 255 HB2 PHE 38 2HB PHE 38 -9.635 -6.334 -2.094 256 HB3 PHE 38 1HB PHE 38 -9.884 -7.546 -0.843 257 HD1 PHE 38 2HD PHE 38 -8.630 -4.063 -1.267 258 HD2 PHE 38 1HD PHE 38 -10.601 -6.882 1.237 259 HE1 PHE 38 2HE PHE 38 -9.088 -2.287 0.366 260 HE2 PHE 38 1HE PHE 38 -11.066 -5.104 2.874 261 HZ PHE 38 HZ PHE 38 -10.307 -2.805 2.440 262 H PHE 39 H PHE 39 -6.180 -8.983 -1.291 263 HA PHE 39 HA PHE 39 -6.855 -9.687 -4.068 264 HB2 PHE 39 2HB PHE 39 -4.299 -10.331 -2.601 265 HB3 PHE 39 1HB PHE 39 -4.610 -10.481 -4.330 266 HD1 PHE 39 2HD PHE 39 -5.864 -7.932 -4.984 267 HD2 PHE 39 1HD PHE 39 -2.607 -8.778 -2.380 268 HE1 PHE 39 2HE PHE 39 -4.995 -5.659 -5.338 269 HE2 PHE 39 1HE PHE 39 -1.735 -6.505 -2.727 270 HZ PHE 39 HZ PHE 39 -2.928 -4.943 -4.210 271 H GLN 40 H GLN 40 -7.412 -11.708 -4.605 272 HA GLN 40 HA GLN 40 -7.967 -13.595 -2.474 273 HB2 GLN 40 2HB GLN 40 -8.429 -13.776 -5.463 274 HB3 GLN 40 1HB GLN 40 -9.003 -14.942 -4.278 275 HG2 GLN 40 2HG GLN 40 -10.418 -13.265 -3.266 276 HG3 GLN 40 1HG GLN 40 -9.795 -12.041 -4.371 277 HE21 GLN 40 1HE2 GLN 40 -10.439 -12.061 -6.518 278 HE22 GLN 40 2HE2 GLN 40 -11.804 -12.968 -7.064 279 H ASP 41 H ASP 41 -5.442 -12.802 -4.461 280 HA ASP 41 HA ASP 41 -3.976 -15.221 -3.803 281 HB2 ASP 41 2HB ASP 41 -5.091 -15.521 -6.095 282 HB3 ASP 41 1HB ASP 41 -4.011 -14.247 -6.664 283 H LEU 42 H LEU 42 -2.102 -14.528 -2.963 284 HA LEU 42 HA LEU 42 -1.217 -11.823 -3.534 285 HB2 LEU 42 2HB LEU 42 -0.149 -13.873 -1.597 286 HB3 LEU 42 1HB LEU 42 0.438 -12.225 -1.740 287 HG LEU 42 HG LEU 42 -2.359 -13.008 -0.923 288 HD11 LEU 42 1HD1 LEU 42 -1.680 -12.184 1.292 289 HD12 LEU 42 2HD1 LEU 42 -0.033 -11.980 0.696 290 HD13 LEU 42 3HD1 LEU 42 -0.742 -13.591 0.788 291 HD21 LEU 42 3HD2 LEU 42 -0.987 -10.327 -1.097 292 HD22 LEU 42 1HD2 LEU 42 -2.547 -10.611 -0.324 293 HD23 LEU 42 2HD2 LEU 42 -2.359 -10.881 -2.057 294 H GLU 43 H GLU 43 -0.994 -13.396 -5.759 295 HA GLU 43 HA GLU 43 1.927 -13.518 -6.086 296 HB2 GLU 43 2HB GLU 43 -0.022 -15.463 -7.332 297 HB3 GLU 43 1HB GLU 43 1.723 -15.470 -7.521 298 HG2 GLU 43 2HG GLU 43 1.964 -15.936 -5.131 299 HG3 GLU 43 1HG GLU 43 0.208 -15.977 -4.976 300 H ILE 44 H ILE 44 -0.564 -11.777 -6.762 301 HA ILE 44 HA ILE 44 -0.300 -11.576 -9.663 302 HB ILE 44 HB ILE 44 -2.065 -9.755 -9.333 303 HG12 ILE 44 2HG1 ILE 44 -2.445 -11.079 -6.663 304 HG13 ILE 44 1HG1 ILE 44 -1.497 -9.612 -6.846 305 HG21 ILE 44 1HG2 ILE 44 -3.855 -11.360 -9.258 306 HG22 ILE 44 2HG2 ILE 44 -2.806 -12.553 -8.487 307 HG23 ILE 44 3HG2 ILE 44 -2.498 -12.050 -10.153 308 HD11 ILE 44 3HD1 ILE 44 -3.578 -8.647 -7.967 309 HD12 ILE 44 1HD1 ILE 44 -3.582 -8.861 -6.215 310 HD13 ILE 44 2HD1 ILE 44 -4.421 -10.021 -7.248 311 HA PRO 45 HA PRO 45 2.323 -8.024 -9.898 312 HB2 PRO 45 2HB PRO 45 0.146 -6.623 -11.369 313 HB3 PRO 45 1HB PRO 45 1.823 -6.896 -11.844 314 HG2 PRO 45 2HG PRO 45 -0.131 -8.305 -12.958 315 HG3 PRO 45 1HG PRO 45 1.406 -9.082 -12.531 316 HD2 PRO 45 2HD PRO 45 -1.231 -9.190 -11.119 317 HD3 PRO 45 1HD PRO 45 -0.036 -10.478 -11.372 318 H ALA 46 H ALA 46 -0.975 -7.593 -8.853 319 HA ALA 46 HA ALA 46 -0.819 -4.913 -7.997 320 HB1 ALA 46 1HB ALA 46 -2.891 -5.298 -6.903 321 HB2 ALA 46 2HB ALA 46 -2.598 -7.037 -6.831 322 HB3 ALA 46 3HB ALA 46 -2.901 -6.258 -8.385 323 H VAL 47 H VAL 47 -0.112 -7.957 -6.326 324 HA VAL 47 HA VAL 47 0.052 -6.910 -3.737 325 HB VAL 47 HB VAL 47 1.852 -9.155 -4.563 326 HG11 VAL 47 1HG1 VAL 47 1.909 -8.445 -2.246 327 HG12 VAL 47 2HG1 VAL 47 1.168 -10.039 -2.368 328 HG13 VAL 47 3HG1 VAL 47 0.158 -8.615 -2.123 329 HG21 VAL 47 3HG2 VAL 47 -1.143 -9.323 -4.255 330 HG22 VAL 47 1HG2 VAL 47 -0.048 -10.697 -4.398 331 HG23 VAL 47 2HG2 VAL 47 -0.230 -9.573 -5.743 332 HA PRO 48 HA PRO 48 4.863 -6.360 -4.441 333 HB2 PRO 48 2HB PRO 48 4.938 -6.058 -7.392 334 HB3 PRO 48 1HB PRO 48 6.069 -6.894 -6.319 335 HG2 PRO 48 2HG PRO 48 4.408 -8.263 -7.887 336 HG3 PRO 48 1HG PRO 48 4.774 -8.816 -6.242 337 HD2 PRO 48 2HD PRO 48 2.349 -7.395 -7.267 338 HD3 PRO 48 1HD PRO 48 2.462 -8.735 -6.114 339 H ILE 49 H ILE 49 2.724 -4.971 -6.886 340 HA ILE 49 HA ILE 49 3.866 -2.418 -6.987 341 HB ILE 49 HB ILE 49 1.235 -3.564 -7.764 342 HG12 ILE 49 2HG1 ILE 49 3.031 -1.893 -9.463 343 HG13 ILE 49 1HG1 ILE 49 3.517 -3.533 -9.053 344 HG21 ILE 49 1HG2 ILE 49 0.357 -1.558 -7.040 345 HG22 ILE 49 2HG2 ILE 49 0.732 -1.225 -8.729 346 HG23 ILE 49 3HG2 ILE 49 1.811 -0.655 -7.455 347 HD11 ILE 49 3HD1 ILE 49 0.850 -2.922 -10.272 348 HD12 ILE 49 1HD1 ILE 49 1.695 -4.468 -10.179 349 HD13 ILE 49 2HD1 ILE 49 2.298 -3.197 -11.243 350 H LEU 50 H LEU 50 1.467 -3.812 -4.828 351 HA LEU 50 HA LEU 50 0.788 -1.308 -3.610 352 HB2 LEU 50 2HB LEU 50 -0.823 -3.100 -3.541 353 HB3 LEU 50 1HB LEU 50 0.321 -4.159 -2.750 354 HG LEU 50 HG LEU 50 0.290 -2.558 -0.791 355 HD11 LEU 50 1HD1 LEU 50 -2.157 -1.487 -2.188 356 HD12 LEU 50 2HD1 LEU 50 -0.623 -0.633 -2.032 357 HD13 LEU 50 3HD1 LEU 50 -1.563 -1.026 -0.592 358 HD21 LEU 50 3HD2 LEU 50 -1.575 -3.580 0.184 359 HD22 LEU 50 1HD2 LEU 50 -1.019 -4.737 -1.025 360 HD23 LEU 50 2HD2 LEU 50 -2.426 -3.719 -1.357 361 H HIS 51 H HIS 51 2.731 -4.123 -2.598 362 HA HIS 51 HA HIS 51 3.704 -3.123 -0.203 363 HB2 HIS 51 2HB HIS 51 4.931 -4.978 -2.238 364 HB3 HIS 51 1HB HIS 51 5.781 -4.544 -0.760 365 HD1 HIS 51 1HD HIS 51 2.235 -5.760 -1.487 366 HD2 HIS 51 2HD HIS 51 5.446 -6.503 1.042 367 HE1 HIS 51 1HE HIS 51 1.490 -7.635 0.015 368 HE2 HIS 51 2HE HIS 51 3.420 -8.013 1.589 369 H SER 52 H SER 52 4.468 -2.285 -3.465 370 HA SER 52 HA SER 52 6.904 -0.875 -2.813 371 HB2 SER 52 2HB SER 52 6.667 -1.939 -5.009 372 HB3 SER 52 1HB SER 52 5.268 -0.927 -5.363 373 HG SER 52 HG SER 52 7.105 -0.026 -6.297 374 H MET 53 H MET 53 3.580 -0.007 -3.752 375 HA MET 53 HA MET 53 3.914 2.769 -3.720 376 HB2 MET 53 2HB MET 53 1.612 2.930 -3.875 377 HB3 MET 53 1HB MET 53 1.883 1.300 -4.468 378 HG2 MET 53 2HG MET 53 0.083 1.057 -3.050 379 HG3 MET 53 1HG MET 53 1.446 0.568 -2.051 380 HE1 MET 53 3HE MET 53 -1.152 1.125 -0.537 381 HE2 MET 53 1HE MET 53 -0.615 2.219 0.736 382 HE3 MET 53 2HE MET 53 0.397 0.855 0.259 383 H VAL 54 H VAL 54 3.651 0.441 -1.205 384 HA VAL 54 HA VAL 54 2.798 1.891 0.976 385 HB VAL 54 HB VAL 54 4.883 -0.272 0.793 386 HG11 VAL 54 1HG1 VAL 54 4.710 -0.554 3.188 387 HG12 VAL 54 2HG1 VAL 54 3.591 0.803 3.289 388 HG13 VAL 54 3HG1 VAL 54 5.266 1.077 2.809 389 HG21 VAL 54 3HG2 VAL 54 2.861 -1.231 0.226 390 HG22 VAL 54 1HG2 VAL 54 1.948 -0.200 1.325 391 HG23 VAL 54 2HG2 VAL 54 2.937 -1.511 1.964 392 H GLN 55 H GLN 55 6.078 1.639 -0.346 393 HA GLN 55 HA GLN 55 7.150 3.472 1.593 394 HB2 GLN 55 2HB GLN 55 8.502 2.580 -0.935 395 HB3 GLN 55 1HB GLN 55 9.230 3.098 0.579 396 HG2 GLN 55 2HG GLN 55 8.414 1.078 1.674 397 HG3 GLN 55 1HG GLN 55 7.679 0.557 0.156 398 HE21 GLN 55 1HE2 GLN 55 8.990 -0.160 -1.517 399 HE22 GLN 55 2HE2 GLN 55 10.642 -0.601 -1.271 400 H LYS 56 H LYS 56 5.407 3.779 -1.245 401 HA LYS 56 HA LYS 56 6.622 6.313 -2.037 402 HB2 LYS 56 2HB LYS 56 4.288 4.828 -3.260 403 HB3 LYS 56 1HB LYS 56 5.105 6.227 -3.946 404 HG2 LYS 56 2HG LYS 56 7.143 4.935 -4.201 405 HG3 LYS 56 1HG LYS 56 6.363 3.531 -3.469 406 HD2 LYS 56 2HD LYS 56 6.256 3.171 -5.795 407 HD3 LYS 56 1HD LYS 56 4.643 3.718 -5.333 408 HE2 LYS 56 2HE LYS 56 5.225 4.888 -7.315 409 HE3 LYS 56 1HE LYS 56 5.354 6.035 -5.980 410 HZ1 LYS 56 3HZ LYS 56 7.227 6.146 -7.555 411 HZ2 LYS 56 1HZ LYS 56 7.654 4.563 -7.143 412 HZ3 LYS 56 2HZ LYS 56 7.718 5.788 -5.978 413 H PHE 57 H PHE 57 4.101 5.087 -0.124 414 HA PHE 57 HA PHE 57 3.067 7.796 0.274 415 HB2 PHE 57 2HB PHE 57 1.479 5.367 -0.471 416 HB3 PHE 57 1HB PHE 57 0.744 6.663 0.470 417 HD1 PHE 57 1HD PHE 57 0.485 8.904 -0.496 418 HD2 PHE 57 2HD PHE 57 1.957 5.634 -2.789 419 HE1 PHE 57 1HE PHE 57 0.045 10.162 -2.565 420 HE2 PHE 57 2HE PHE 57 1.519 6.886 -4.860 421 HZ PHE 57 HZ PHE 57 0.564 9.153 -4.751 422 HA PRO 58 HA PRO 58 4.189 5.411 4.228 423 HB2 PRO 58 2HB PRO 58 5.177 7.777 5.339 424 HB3 PRO 58 1HB PRO 58 6.152 6.491 4.624 425 HG2 PRO 58 2HG PRO 58 5.201 9.052 3.412 426 HG3 PRO 58 1HG PRO 58 6.765 8.233 3.223 427 HD2 PRO 58 2HD PRO 58 4.933 8.101 1.297 428 HD3 PRO 58 1HD PRO 58 5.893 6.668 1.719 429 H GLY 59 H GLY 59 2.986 8.742 3.783 430 HA2 GLY 59 2HA GLY 59 1.588 9.002 6.175 431 HA3 GLY 59 1HA GLY 59 1.160 9.817 4.675 432 H VAL 60 H VAL 60 0.585 7.584 3.110 433 HA VAL 60 HA VAL 60 -2.095 7.042 3.842 434 HB VAL 60 HB VAL 60 -0.255 5.972 1.715 435 HG11 VAL 60 1HG1 VAL 60 -2.121 4.680 0.783 436 HG12 VAL 60 2HG1 VAL 60 -3.100 5.076 2.195 437 HG13 VAL 60 3HG1 VAL 60 -1.655 4.081 2.375 438 HG21 VAL 60 3HG2 VAL 60 -1.146 8.176 1.347 439 HG22 VAL 60 1HG2 VAL 60 -2.786 7.612 1.676 440 HG23 VAL 60 2HG2 VAL 60 -1.929 7.049 0.239 441 H SER 61 H SER 61 -3.038 5.152 4.661 442 HA SER 61 HA SER 61 -1.272 3.551 6.294 443 HB2 SER 61 2HB SER 61 -3.375 4.278 7.261 444 HB3 SER 61 1HB SER 61 -4.275 3.480 5.973 445 HG SER 61 HG SER 61 -3.078 2.416 8.219 446 H PHE 62 H PHE 62 -0.107 2.183 5.070 447 HA PHE 62 HA PHE 62 -1.066 0.744 2.850 448 HB2 PHE 62 2HB PHE 62 0.982 -0.762 3.427 449 HB3 PHE 62 1HB PHE 62 1.250 0.902 2.914 450 HD1 PHE 62 2HD PHE 62 1.280 -1.393 5.785 451 HD2 PHE 62 1HD PHE 62 2.146 2.541 4.410 452 HE1 PHE 62 2HE PHE 62 2.556 -0.958 7.842 453 HE2 PHE 62 1HE PHE 62 3.423 2.982 6.465 454 HZ PHE 62 HZ PHE 62 3.629 1.231 8.184 455 H GLY 63 H GLY 63 -2.265 -1.024 2.708 456 HA2 GLY 63 2HA GLY 63 -2.327 -2.919 4.932 457 HA3 GLY 63 1HA GLY 63 -3.850 -2.173 4.464 458 H ILE 64 H ILE 64 -3.470 -4.915 4.395 459 HA ILE 64 HA ILE 64 -4.145 -5.449 1.662 460 HB ILE 64 HB ILE 64 -1.515 -5.553 1.984 461 HG12 ILE 64 2HG1 ILE 64 -3.083 -7.639 0.462 462 HG13 ILE 64 1HG1 ILE 64 -2.736 -6.008 -0.095 463 HG21 ILE 64 1HG2 ILE 64 -1.501 -7.125 3.823 464 HG22 ILE 64 2HG2 ILE 64 -0.747 -7.849 2.404 465 HG23 ILE 64 3HG2 ILE 64 -2.389 -8.301 2.855 466 HD11 ILE 64 3HD1 ILE 64 -0.337 -6.536 -0.063 467 HD12 ILE 64 1HD1 ILE 64 -1.252 -7.582 -1.151 468 HD13 ILE 64 2HD1 ILE 64 -0.726 -8.188 0.419 469 H SER 65 H SER 65 -5.279 -7.379 1.434 470 HA SER 65 HA SER 65 -5.483 -9.160 3.722 471 HB2 SER 65 2HB SER 65 -7.124 -7.469 4.298 472 HB3 SER 65 1HB SER 65 -7.850 -7.582 2.694 473 HG SER 65 HG SER 65 -8.311 -9.815 3.228 474 H THR 66 H THR 66 -6.511 -11.140 3.279 475 HA THR 66 HA THR 66 -7.149 -11.682 0.464 476 HB THR 66 HB THR 66 -5.918 -13.801 0.548 477 HG1 THR 66 1HG THR 66 -4.552 -14.220 2.319 478 HG21 THR 66 3HG2 THR 66 -3.718 -12.918 0.298 479 HG22 THR 66 1HG2 THR 66 -4.094 -11.531 1.323 480 HG23 THR 66 2HG2 THR 66 -4.848 -11.684 -0.264 481 H ASP 67 H ASP 67 -8.112 -11.733 3.586 482 HA ASP 67 HA ASP 67 -9.349 -14.269 3.844 483 HB2 ASP 67 2HB ASP 67 -8.849 -12.751 5.753 484 HB3 ASP 67 1HB ASP 67 -10.114 -11.666 5.184 485 H SER 68 H SER 68 -11.436 -14.922 3.465 486 HA SER 68 HA SER 68 -12.747 -13.782 1.241 487 HB2 SER 68 2HB SER 68 -14.507 -15.456 1.681 488 HB3 SER 68 1HB SER 68 -12.899 -16.174 1.756 489 HG SER 68 HG SER 68 -13.610 -16.873 3.617 490 H GLU 69 H GLU 69 -13.608 -13.850 4.697 491 HA GLU 69 HA GLU 69 -16.032 -12.546 4.597 492 HB2 GLU 69 2HB GLU 69 -13.948 -12.146 6.741 493 HB3 GLU 69 1HB GLU 69 -15.685 -11.932 6.901 494 HG2 GLU 69 2HG GLU 69 -16.055 -14.290 6.610 495 HG3 GLU 69 1HG GLU 69 -14.343 -14.552 6.283 496 H VAL 70 H VAL 70 -12.802 -11.070 4.782 497 HA VAL 70 HA VAL 70 -13.794 -8.413 4.836 498 HB VAL 70 HB VAL 70 -11.065 -9.489 4.122 499 HG11 VAL 70 1HG1 VAL 70 -11.989 -6.637 4.394 500 HG12 VAL 70 2HG1 VAL 70 -11.266 -7.404 2.979 501 HG13 VAL 70 3HG1 VAL 70 -10.297 -7.130 4.428 502 HG21 VAL 70 3HG2 VAL 70 -10.454 -8.504 6.322 503 HG22 VAL 70 1HG2 VAL 70 -11.618 -9.827 6.437 504 HG23 VAL 70 2HG2 VAL 70 -12.161 -8.156 6.590 505 H LEU 71 H LEU 71 -12.292 -10.336 2.236 506 HA LEU 71 HA LEU 71 -12.620 -8.454 0.197 507 HB2 LEU 71 2HB LEU 71 -12.249 -11.409 0.284 508 HB3 LEU 71 1HB LEU 71 -12.734 -10.680 -1.235 509 HG LEU 71 HG LEU 71 -10.746 -9.375 -1.356 510 HD11 LEU 71 1HD1 LEU 71 -10.548 -8.682 0.944 511 HD12 LEU 71 2HD1 LEU 71 -9.034 -9.422 0.417 512 HD13 LEU 71 3HD1 LEU 71 -10.150 -10.327 1.441 513 HD21 LEU 71 3HD2 LEU 71 -8.996 -11.106 -1.297 514 HD22 LEU 71 1HD2 LEU 71 -10.479 -11.669 -2.068 515 HD23 LEU 71 2HD2 LEU 71 -10.100 -12.167 -0.419 516 H THR 72 H THR 72 -14.923 -10.285 1.876 517 HA THR 72 HA THR 72 -16.927 -10.162 -0.230 518 HB THR 72 HB THR 72 -17.110 -11.151 2.628 519 HG1 THR 72 1HG THR 72 -16.840 -12.453 0.106 520 HG21 THR 72 3HG2 THR 72 -19.124 -11.158 0.376 521 HG22 THR 72 1HG2 THR 72 -19.288 -10.415 1.967 522 HG23 THR 72 2HG2 THR 72 -19.265 -12.172 1.813 523 H HIS 73 H HIS 73 -16.218 -8.723 2.912 524 HA HIS 73 HA HIS 73 -18.547 -7.196 3.200 525 HB2 HIS 73 2HB HIS 73 -16.915 -7.600 5.019 526 HB3 HIS 73 1HB HIS 73 -15.759 -6.561 4.195 527 HD1 HIS 73 1HD HIS 73 -18.782 -6.475 6.346 528 HD2 HIS 73 2HD HIS 73 -16.357 -3.791 4.303 529 HE1 HIS 73 1HE HIS 73 -19.397 -4.203 7.234 530 HE2 HIS 73 2HE HIS 73 -17.899 -2.596 6.000 531 H TYR 74 H TYR 74 -15.473 -6.507 1.598 532 HA TYR 74 HA TYR 74 -16.420 -3.878 0.777 533 HB2 TYR 74 2HB TYR 74 -13.791 -5.318 0.479 534 HB3 TYR 74 1HB TYR 74 -14.125 -3.807 -0.362 535 HD1 TYR 74 1HD TYR 74 -13.996 -5.323 3.034 536 HD2 TYR 74 2HD TYR 74 -13.798 -1.760 0.717 537 HE1 TYR 74 1HE TYR 74 -13.312 -4.067 5.034 538 HE2 TYR 74 2HE TYR 74 -13.114 -0.495 2.711 539 HH TYR 74 HH TYR 74 -12.101 -1.983 5.575 540 H ASN 75 H ASN 75 -17.277 -6.718 -0.206 541 HA ASN 75 HA ASN 75 -18.044 -7.659 -2.126 542 HB2 ASN 75 2HB ASN 75 -18.064 -4.752 -2.942 543 HB3 ASN 75 1HB ASN 75 -18.776 -6.043 -3.906 544 HD21 ASN 75 1HD2 ASN 75 -19.016 -4.173 -0.991 545 HD22 ASN 75 2HD2 ASN 75 -20.632 -4.633 -0.588 546 H ILE 76 H ILE 76 -15.113 -7.231 -1.771 547 HA ILE 76 HA ILE 76 -13.853 -6.625 -4.198 548 HB ILE 76 HB ILE 76 -12.903 -8.603 -2.127 549 HG12 ILE 76 2HG1 ILE 76 -13.491 -6.476 -1.072 550 HG13 ILE 76 1HG1 ILE 76 -11.751 -6.707 -1.080 551 HG21 ILE 76 1HG2 ILE 76 -11.408 -6.972 -4.164 552 HG22 ILE 76 2HG2 ILE 76 -11.638 -8.718 -4.178 553 HG23 ILE 76 3HG2 ILE 76 -10.663 -7.967 -2.916 554 HD11 ILE 76 3HD1 ILE 76 -11.528 -5.167 -2.936 555 HD12 ILE 76 1HD1 ILE 76 -12.390 -4.405 -1.600 556 HD13 ILE 76 2HD1 ILE 76 -13.280 -4.977 -3.010 557 H THR 77 H THR 77 -13.971 -7.629 -6.098 558 HA THR 77 HA THR 77 -14.130 -10.554 -6.169 559 HB THR 77 HB THR 77 -15.826 -10.491 -7.959 560 HG1 THR 77 1HG THR 77 -16.956 -8.178 -7.701 561 HG21 THR 77 3HG2 THR 77 -16.782 -9.057 -5.484 562 HG22 THR 77 1HG2 THR 77 -16.474 -10.791 -5.578 563 HG23 THR 77 2HG2 THR 77 -17.741 -10.066 -6.567 564 H GLY 78 H GLY 78 -11.782 -9.533 -6.603 565 HA2 GLY 78 2HA GLY 78 -10.831 -10.377 -8.970 566 HA3 GLY 78 1HA GLY 78 -11.403 -8.766 -9.378 567 H ASN 79 H ASN 79 -9.833 -9.910 -6.403 568 HA ASN 79 HA ASN 79 -8.027 -9.112 -5.267 569 HB2 ASN 79 2HB ASN 79 -6.921 -8.823 -8.067 570 HB3 ASN 79 1HB ASN 79 -5.975 -8.886 -6.584 571 HD21 ASN 79 1HD2 ASN 79 -5.722 -10.835 -5.516 572 HD22 ASN 79 2HD2 ASN 79 -6.104 -12.351 -6.253 573 H THR 80 H THR 80 -9.996 -7.259 -5.633 574 HA THR 80 HA THR 80 -9.155 -4.797 -6.748 575 HB THR 80 HB THR 80 -11.280 -5.393 -4.673 576 HG1 THR 80 1HG THR 80 -11.529 -6.382 -6.779 577 HG21 THR 80 3HG2 THR 80 -10.671 -3.025 -4.628 578 HG22 THR 80 1HG2 THR 80 -12.277 -3.248 -5.318 579 HG23 THR 80 2HG2 THR 80 -10.901 -2.923 -6.371 580 H ILE 81 H ILE 81 -8.607 -2.860 -5.716 581 HA ILE 81 HA ILE 81 -7.426 -3.088 -3.020 582 HB ILE 81 HB ILE 81 -6.489 -1.405 -5.355 583 HG12 ILE 81 2HG1 ILE 81 -5.142 -3.668 -3.867 584 HG13 ILE 81 1HG1 ILE 81 -5.825 -3.771 -5.483 585 HG21 ILE 81 1HG2 ILE 81 -4.715 -0.610 -3.882 586 HG22 ILE 81 2HG2 ILE 81 -5.417 -1.511 -2.539 587 HG23 ILE 81 3HG2 ILE 81 -6.305 -0.169 -3.262 588 HD11 ILE 81 3HD1 ILE 81 -3.476 -2.110 -4.625 589 HD12 ILE 81 1HD1 ILE 81 -4.193 -2.085 -6.237 590 HD13 ILE 81 2HD1 ILE 81 -3.445 -3.563 -5.624 591 H CYS 82 H CYS 82 -8.537 -1.887 -1.574 592 HA CYS 82 HA CYS 82 -10.130 0.334 -2.640 593 HB2 CYS 82 2HB CYS 82 -10.477 -1.233 -0.094 594 HB3 CYS 82 1HB CYS 82 -11.479 0.130 -0.575 595 HG CYS 82 HG CYS 82 -13.167 -1.753 -1.289 596 H LEU 83 H LEU 83 -9.764 2.348 -2.111 597 HA LEU 83 HA LEU 83 -7.846 2.941 0.025 598 HB2 LEU 83 2HB LEU 83 -6.982 3.907 -1.889 599 HB3 LEU 83 1HB LEU 83 -8.562 4.261 -2.552 600 HG LEU 83 HG LEU 83 -8.823 6.169 -1.111 601 HD11 LEU 83 1HD1 LEU 83 -7.585 5.099 0.835 602 HD12 LEU 83 2HD1 LEU 83 -7.354 6.830 0.584 603 HD13 LEU 83 3HD1 LEU 83 -6.108 5.686 0.071 604 HD21 LEU 83 3HD2 LEU 83 -6.880 7.538 -1.844 605 HD22 LEU 83 1HD2 LEU 83 -7.641 6.613 -3.137 606 HD23 LEU 83 2HD2 LEU 83 -6.121 6.060 -2.433 607 H PHE 84 H PHE 84 -9.047 3.163 1.854 608 HA PHE 84 HA PHE 84 -11.521 4.711 1.732 609 HB2 PHE 84 2HB PHE 84 -11.174 2.436 2.993 610 HB3 PHE 84 1HB PHE 84 -10.481 3.460 4.247 611 HD1 PHE 84 1HD PHE 84 -11.930 5.427 5.072 612 HD2 PHE 84 2HD PHE 84 -13.462 2.111 2.887 613 HE1 PHE 84 1HE PHE 84 -14.189 5.925 5.908 614 HE2 PHE 84 2HE PHE 84 -15.725 2.603 3.720 615 HZ PHE 84 HZ PHE 84 -16.090 4.513 5.231 616 H ARG 85 H ARG 85 -11.521 6.797 2.179 617 HA ARG 85 HA ARG 85 -9.263 7.926 3.691 618 HB2 ARG 85 2HB ARG 85 -11.153 9.769 2.370 619 HB3 ARG 85 1HB ARG 85 -9.396 9.792 2.417 620 HG2 ARG 85 2HG ARG 85 -9.329 8.027 0.722 621 HG3 ARG 85 1HG ARG 85 -11.100 8.055 0.649 622 HD2 ARG 85 2HD ARG 85 -9.188 10.254 -0.113 623 HD3 ARG 85 1HD ARG 85 -10.282 9.361 -1.170 624 HE ARG 85 HE ARG 85 -11.737 10.692 0.858 625 HH11 ARG 85 1HH1 ARG 85 -9.992 11.275 -2.101 626 HH12 ARG 85 2HH1 ARG 85 -10.896 12.697 -2.505 627 HH21 ARG 85 1HH2 ARG 85 -12.930 12.564 0.333 628 HH22 ARG 85 2HH2 ARG 85 -12.562 13.431 -1.119 629 H LEU 86 H LEU 86 -9.827 7.713 5.762 630 HA LEU 86 HA LEU 86 -12.194 7.706 7.053 631 HB2 LEU 86 2HB LEU 86 -10.388 7.295 8.403 632 HB3 LEU 86 1HB LEU 86 -9.480 8.662 7.794 633 HG LEU 86 HG LEU 86 -11.032 10.161 9.079 634 HD11 LEU 86 1HD1 LEU 86 -11.909 7.551 10.315 635 HD12 LEU 86 2HD1 LEU 86 -12.901 8.606 9.308 636 HD13 LEU 86 3HD1 LEU 86 -12.340 9.164 10.885 637 HD21 LEU 86 3HD2 LEU 86 -9.406 8.140 10.611 638 HD22 LEU 86 1HD2 LEU 86 -9.972 9.685 11.250 639 HD23 LEU 86 2HD2 LEU 86 -8.827 9.653 9.908 640 H VAL 87 H VAL 87 -10.343 10.685 6.402 641 HA VAL 87 HA VAL 87 -11.892 12.564 7.602 642 HB VAL 87 HB VAL 87 -11.372 13.879 5.282 643 HG11 VAL 87 1HG1 VAL 87 -9.516 13.300 7.583 644 HG12 VAL 87 2HG1 VAL 87 -10.663 14.631 7.445 645 HG13 VAL 87 3HG1 VAL 87 -9.253 14.570 6.387 646 HG21 VAL 87 3HG2 VAL 87 -9.148 13.073 4.531 647 HG22 VAL 87 1HG2 VAL 87 -10.469 11.964 4.159 648 HG23 VAL 87 2HG2 VAL 87 -9.386 11.625 5.514 649 H ASP 88 H ASP 88 -12.314 11.779 4.150 650 HA ASP 88 HA ASP 88 -15.031 12.811 4.316 651 HB2 ASP 88 2HB ASP 88 -13.208 12.172 2.006 652 HB3 ASP 88 1HB ASP 88 -14.915 12.553 1.777 653 H ASN 89 H ASN 89 -13.981 10.090 5.222 654 HA ASN 89 HA ASN 89 -14.569 7.885 5.148 655 HB2 ASN 89 2HB ASN 89 -16.907 7.534 5.532 656 HB3 ASN 89 1HB ASN 89 -16.465 9.075 6.263 657 HD21 ASN 89 1HD2 ASN 89 -17.242 10.973 5.402 658 HD22 ASN 89 2HD2 ASN 89 -18.530 11.015 4.253 659 H GLU 90 H GLU 90 -13.787 8.900 2.548 660 HA GLU 90 HA GLU 90 -15.607 7.806 0.604 661 HB2 GLU 90 2HB GLU 90 -12.747 8.730 0.298 662 HB3 GLU 90 1HB GLU 90 -13.833 8.329 -1.023 663 HG2 GLU 90 2HG GLU 90 -14.268 10.537 0.966 664 HG3 GLU 90 1HG GLU 90 -13.615 10.739 -0.658 665 H GLN 91 H GLN 91 -14.952 6.149 -0.951 666 HA GLN 91 HA GLN 91 -12.964 4.234 -0.037 667 HB2 GLN 91 2HB GLN 91 -15.142 3.628 1.064 668 HB3 GLN 91 1HB GLN 91 -15.818 3.375 -0.539 669 HG2 GLN 91 2HG GLN 91 -13.338 1.932 0.276 670 HG3 GLN 91 1HG GLN 91 -14.915 1.363 0.823 671 HE21 GLN 91 1HE2 GLN 91 -12.767 1.730 -1.857 672 HE22 GLN 91 2HE2 GLN 91 -13.682 0.800 -2.991 673 H LEU 92 H LEU 92 -11.779 4.498 -1.863 674 HA LEU 92 HA LEU 92 -13.016 4.352 -4.479 675 HB2 LEU 92 2HB LEU 92 -10.101 4.560 -3.715 676 HB3 LEU 92 1HB LEU 92 -10.745 4.718 -5.336 677 HG LEU 92 HG LEU 92 -10.249 6.906 -4.565 678 HD11 LEU 92 1HD1 LEU 92 -12.447 8.002 -4.541 679 HD12 LEU 92 2HD1 LEU 92 -13.212 6.428 -4.327 680 HD13 LEU 92 3HD1 LEU 92 -12.315 6.777 -5.803 681 HD21 LEU 92 3HD2 LEU 92 -10.235 6.263 -2.133 682 HD22 LEU 92 1HD2 LEU 92 -11.984 6.484 -2.149 683 HD23 LEU 92 2HD2 LEU 92 -10.919 7.845 -2.504 684 H ASN 93 H ASN 93 -13.346 2.463 -5.492 685 HA ASN 93 HA ASN 93 -11.881 0.126 -4.508 686 HB2 ASN 93 2HB ASN 93 -13.692 -1.086 -5.943 687 HB3 ASN 93 1HB ASN 93 -14.133 -0.399 -4.386 688 HD21 ASN 93 1HD2 ASN 93 -14.401 -0.107 -7.832 689 HD22 ASN 93 2HD2 ASN 93 -15.679 1.056 -7.840 690 H LEU 94 H LEU 94 -10.003 0.069 -5.592 691 HA LEU 94 HA LEU 94 -9.878 0.352 -8.469 692 HB2 LEU 94 2HB LEU 94 -8.082 1.000 -6.693 693 HB3 LEU 94 1HB LEU 94 -7.680 -0.705 -6.703 694 HG LEU 94 HG LEU 94 -7.744 0.663 -9.331 695 HD11 LEU 94 1HD1 LEU 94 -5.446 1.499 -8.995 696 HD12 LEU 94 2HD1 LEU 94 -5.576 1.105 -7.280 697 HD13 LEU 94 3HD1 LEU 94 -6.625 2.335 -7.986 698 HD21 LEU 94 3HD2 LEU 94 -5.863 -0.820 -9.738 699 HD22 LEU 94 1HD2 LEU 94 -7.229 -1.723 -9.088 700 HD23 LEU 94 2HD2 LEU 94 -5.866 -1.317 -8.045 701 H GLU 95 H GLU 95 -11.410 -1.352 -8.905 702 HA GLU 95 HA GLU 95 -10.847 -4.049 -8.089 703 HB2 GLU 95 2HB GLU 95 -12.867 -3.112 -10.116 704 HB3 GLU 95 1HB GLU 95 -12.855 -4.642 -9.248 705 HG2 GLU 95 2HG GLU 95 -13.333 -3.561 -7.184 706 HG3 GLU 95 1HG GLU 95 -13.118 -1.967 -7.906 707 H ASP 96 H ASP 96 -11.626 -5.505 -10.275 708 HA ASP 96 HA ASP 96 -9.251 -6.137 -11.515 709 HB2 ASP 96 2HB ASP 96 -11.147 -7.652 -11.474 710 HB3 ASP 96 1HB ASP 96 -12.060 -6.583 -12.536 711 H GLU 97 H GLU 97 -11.705 -3.842 -12.597 712 HA GLU 97 HA GLU 97 -10.813 -3.442 -15.209 713 HB2 GLU 97 2HB GLU 97 -11.997 -1.402 -13.314 714 HB3 GLU 97 1HB GLU 97 -11.884 -1.224 -15.058 715 HG2 GLU 97 2HG GLU 97 -13.463 -3.342 -13.618 716 HG3 GLU 97 1HG GLU 97 -14.125 -1.872 -14.332 717 H ASP 98 H ASP 98 -9.299 -2.781 -12.284 718 HA ASP 98 HA ASP 98 -7.259 -1.149 -13.625 719 HB2 ASP 98 2HB ASP 98 -8.329 -0.791 -10.813 720 HB3 ASP 98 1HB ASP 98 -6.940 0.068 -11.480 721 H ILE 99 H ILE 99 -7.980 -3.920 -11.810 722 HA ILE 99 HA ILE 99 -5.312 -4.197 -10.674 723 HB ILE 99 HB ILE 99 -7.769 -5.945 -10.486 724 HG12 ILE 99 2HG1 ILE 99 -7.708 -3.758 -9.257 725 HG13 ILE 99 1HG1 ILE 99 -7.942 -5.175 -8.246 726 HG21 ILE 99 1HG2 ILE 99 -6.468 -7.168 -8.720 727 HG22 ILE 99 2HG2 ILE 99 -5.022 -6.359 -9.325 728 HG23 ILE 99 3HG2 ILE 99 -5.930 -7.446 -10.378 729 HD11 ILE 99 3HD1 ILE 99 -6.428 -3.619 -7.200 730 HD12 ILE 99 1HD1 ILE 99 -5.377 -3.648 -8.617 731 HD13 ILE 99 2HD1 ILE 99 -5.571 -5.100 -7.633 732 H GLU 100 H GLU 100 -7.229 -5.406 -13.324 733 HA GLU 100 HA GLU 100 -5.926 -7.744 -13.992 734 HB2 GLU 100 2HB GLU 100 -7.940 -6.893 -15.141 735 HB3 GLU 100 1HB GLU 100 -6.965 -5.649 -15.911 736 HG2 GLU 100 2HG GLU 100 -5.668 -7.369 -17.056 737 HG3 GLU 100 1HG GLU 100 -6.642 -8.618 -16.282 738 H SER 101 H SER 101 -5.120 -4.454 -15.088 739 HA SER 101 HA SER 101 -2.397 -5.417 -15.670 740 HB2 SER 101 2HB SER 101 -3.955 -3.257 -17.112 741 HB3 SER 101 1HB SER 101 -2.278 -3.692 -17.442 742 HG SER 101 HG SER 101 -3.804 -4.712 -18.857 743 H ILE 102 H ILE 102 -3.179 -4.505 -13.147 744 HA ILE 102 HA ILE 102 -2.765 -1.784 -12.662 745 HB ILE 102 HB ILE 102 -3.731 -3.270 -10.984 746 HG12 ILE 102 2HG1 ILE 102 -2.293 -2.505 -9.021 747 HG13 ILE 102 1HG1 ILE 102 -1.197 -1.824 -10.215 748 HG21 ILE 102 1HG2 ILE 102 -2.483 -5.277 -11.297 749 HG22 ILE 102 2HG2 ILE 102 -2.184 -4.724 -9.650 750 HG23 ILE 102 3HG2 ILE 102 -0.965 -4.470 -10.900 751 HD11 ILE 102 3HD1 ILE 102 -2.670 -0.124 -9.351 752 HD12 ILE 102 1HD1 ILE 102 -4.078 -1.072 -9.824 753 HD13 ILE 102 2HD1 ILE 102 -3.006 -0.413 -11.058 754 H ASP 103 H ASP 103 -1.012 -0.572 -12.179 755 HA ASP 103 HA ASP 103 1.633 -1.840 -12.243 756 HB2 ASP 103 2HB ASP 103 0.914 0.701 -13.718 757 HB3 ASP 103 1HB ASP 103 2.508 -0.039 -13.641 758 H ALA 104 H ALA 104 3.254 -0.689 -11.038 759 HA ALA 104 HA ALA 104 2.430 0.393 -8.646 760 HB1 ALA 104 1HB ALA 104 4.708 1.260 -8.381 761 HB2 ALA 104 2HB ALA 104 5.020 0.918 -10.084 762 HB3 ALA 104 3HB ALA 104 4.678 -0.404 -8.965 763 H THR 105 H THR 105 3.037 2.003 -11.695 764 HA THR 105 HA THR 105 2.906 4.668 -10.810 765 HB THR 105 HB THR 105 2.098 3.504 -13.482 766 HG1 THR 105 1HG THR 105 4.384 4.939 -13.465 767 HG21 THR 105 3HG2 THR 105 2.576 6.345 -12.611 768 HG22 THR 105 1HG2 THR 105 1.084 5.652 -13.246 769 HG23 THR 105 2HG2 THR 105 2.491 5.831 -14.297 770 H LYS 106 H LYS 106 0.418 2.452 -12.008 771 HA LYS 106 HA LYS 106 -1.743 4.234 -11.924 772 HB2 LYS 106 2HB LYS 106 -1.747 1.228 -11.567 773 HB3 LYS 106 1HB LYS 106 -3.158 2.216 -11.925 774 HG2 LYS 106 2HG LYS 106 -2.273 2.816 -14.066 775 HG3 LYS 106 1HG LYS 106 -0.739 2.021 -13.705 776 HD2 LYS 106 2HD LYS 106 -1.983 0.552 -15.111 777 HD3 LYS 106 1HD LYS 106 -2.024 -0.130 -13.485 778 HE2 LYS 106 2HE LYS 106 -4.216 1.669 -14.442 779 HE3 LYS 106 1HE LYS 106 -4.207 -0.039 -14.877 780 HZ1 LYS 106 3HZ LYS 106 -5.510 0.267 -12.912 781 HZ2 LYS 106 1HZ LYS 106 -4.258 1.094 -12.132 782 HZ3 LYS 106 2HZ LYS 106 -4.095 -0.552 -12.479 783 H LEU 107 H LEU 107 -0.964 1.644 -9.558 784 HA LEU 107 HA LEU 107 -2.831 2.267 -7.643 785 HB2 LEU 107 2HB LEU 107 -0.595 0.613 -7.769 786 HB3 LEU 107 1HB LEU 107 -0.256 1.676 -6.418 787 HG LEU 107 HG LEU 107 -2.466 -0.332 -6.718 788 HD11 LEU 107 1HD1 LEU 107 -0.546 -1.210 -5.669 789 HD12 LEU 107 2HD1 LEU 107 -1.674 -0.849 -4.366 790 HD13 LEU 107 3HD1 LEU 107 -0.322 0.238 -4.688 791 HD21 LEU 107 3HD2 LEU 107 -3.498 0.576 -4.669 792 HD22 LEU 107 1HD2 LEU 107 -3.615 1.686 -6.035 793 HD23 LEU 107 2HD2 LEU 107 -2.421 1.970 -4.767 794 H SER 108 H SER 108 0.511 3.489 -7.779 795 HA SER 108 HA SER 108 0.320 5.294 -5.657 796 HB2 SER 108 2HB SER 108 2.042 5.456 -8.141 797 HB3 SER 108 1HB SER 108 2.295 6.390 -6.666 798 HG SER 108 HG SER 108 3.443 4.229 -7.064 799 H ARG 109 H ARG 109 -0.684 5.566 -8.993 800 HA ARG 109 HA ARG 109 -1.035 8.381 -9.008 801 HB2 ARG 109 2HB ARG 109 -0.793 6.981 -11.060 802 HB3 ARG 109 1HB ARG 109 -2.383 6.307 -10.747 803 HG2 ARG 109 2HG ARG 109 -2.010 9.260 -11.039 804 HG3 ARG 109 1HG ARG 109 -2.147 8.216 -12.455 805 HD2 ARG 109 2HD ARG 109 -4.279 7.328 -11.454 806 HD3 ARG 109 1HD ARG 109 -4.161 8.617 -10.252 807 HE ARG 109 HE ARG 109 -3.972 9.891 -12.670 808 HH11 ARG 109 1HH1 ARG 109 -6.300 7.779 -11.160 809 HH12 ARG 109 2HH1 ARG 109 -7.655 8.476 -11.984 810 HH21 ARG 109 1HH2 ARG 109 -5.752 10.813 -13.753 811 HH22 ARG 109 2HH2 ARG 109 -7.344 10.201 -13.455 812 H PHE 110 H PHE 110 -3.490 5.807 -9.140 813 HA PHE 110 HA PHE 110 -5.743 7.219 -8.606 814 HB2 PHE 110 2HB PHE 110 -4.919 4.458 -7.743 815 HB3 PHE 110 1HB PHE 110 -6.489 5.113 -7.279 816 HD1 PHE 110 1HD PHE 110 -8.198 5.552 -8.952 817 HD2 PHE 110 2HD PHE 110 -4.449 3.845 -10.018 818 HE1 PHE 110 1HE PHE 110 -9.129 4.875 -11.125 819 HE2 PHE 110 2HE PHE 110 -5.374 3.166 -12.195 820 HZ PHE 110 HZ PHE 110 -7.717 3.680 -12.750 821 H ILE 111 H ILE 111 -3.402 6.032 -6.223 822 HA ILE 111 HA ILE 111 -4.742 6.979 -3.931 823 HB ILE 111 HB ILE 111 -1.786 6.546 -4.409 824 HG12 ILE 111 2HG1 ILE 111 -3.765 4.850 -2.879 825 HG13 ILE 111 1HG1 ILE 111 -3.330 4.566 -4.558 826 HG21 ILE 111 1HG2 ILE 111 -3.268 7.044 -1.832 827 HG22 ILE 111 2HG2 ILE 111 -2.084 8.113 -2.590 828 HG23 ILE 111 3HG2 ILE 111 -1.582 6.545 -1.956 829 HD11 ILE 111 3HD1 ILE 111 -1.444 4.502 -2.221 830 HD12 ILE 111 1HD1 ILE 111 -1.015 4.203 -3.904 831 HD13 ILE 111 2HD1 ILE 111 -2.103 3.101 -3.064 832 H GLU 112 H GLU 112 -2.017 8.369 -5.750 833 HA GLU 112 HA GLU 112 -1.825 10.793 -4.429 834 HB2 GLU 112 2HB GLU 112 -0.267 9.870 -6.197 835 HB3 GLU 112 1HB GLU 112 -1.433 10.410 -7.401 836 HG2 GLU 112 2HG GLU 112 -1.141 12.706 -6.694 837 HG3 GLU 112 1HG GLU 112 -0.041 12.196 -5.415 838 H ILE 113 H ILE 113 -4.277 9.612 -6.458 839 HA ILE 113 HA ILE 113 -5.304 12.219 -7.199 840 HB ILE 113 HB ILE 113 -5.741 9.446 -8.056 841 HG12 ILE 113 2HG1 ILE 113 -6.047 10.525 -10.229 842 HG13 ILE 113 1HG1 ILE 113 -6.101 12.105 -9.453 843 HG21 ILE 113 1HG2 ILE 113 -8.079 11.337 -7.978 844 HG22 ILE 113 2HG2 ILE 113 -7.944 9.769 -7.181 845 HG23 ILE 113 3HG2 ILE 113 -8.003 9.861 -8.940 846 HD11 ILE 113 3HD1 ILE 113 -3.733 10.248 -9.446 847 HD12 ILE 113 1HD1 ILE 113 -3.794 11.873 -8.764 848 HD13 ILE 113 2HD1 ILE 113 -3.940 11.641 -10.506 849 H ASN 114 H ASN 114 -6.108 9.563 -4.997 850 HA ASN 114 HA ASN 114 -8.181 11.308 -3.838 851 HB2 ASN 114 2HB ASN 114 -8.297 8.317 -4.237 852 HB3 ASN 114 1HB ASN 114 -9.422 9.217 -3.218 853 HD21 ASN 114 1HD2 ASN 114 -9.695 7.667 -5.789 854 HD22 ASN 114 2HD2 ASN 114 -10.539 8.741 -6.846 855 H SER 115 H SER 115 -5.388 11.032 -3.026 856 HA SER 115 HA SER 115 -5.458 9.533 -0.553 857 HB2 SER 115 2HB SER 115 -3.163 10.362 -0.240 858 HB3 SER 115 1HB SER 115 -3.372 9.683 -1.854 859 HG SER 115 HG SER 115 -3.963 12.140 -2.203 860 H LEU 116 H LEU 116 -7.460 11.488 -0.727 861 HA LEU 116 HA LEU 116 -6.622 13.758 0.871 862 HB2 LEU 116 2HB LEU 116 -9.386 13.003 -0.064 863 HB3 LEU 116 1HB LEU 116 -8.882 14.558 0.576 864 HG LEU 116 HG LEU 116 -7.980 13.345 -2.037 865 HD11 LEU 116 1HD1 LEU 116 -10.355 14.206 -1.865 866 HD12 LEU 116 2HD1 LEU 116 -9.347 14.928 -3.117 867 HD13 LEU 116 3HD1 LEU 116 -9.653 15.806 -1.619 868 HD21 LEU 116 3HD2 LEU 116 -7.342 16.016 -0.786 869 HD22 LEU 116 1HD2 LEU 116 -6.919 15.529 -2.427 870 HD23 LEU 116 2HD2 LEU 116 -6.213 14.687 -1.048 Start of MODEL 33 1 H GLU 1 H GLU 1 27.682 0.828 8.115 2 HA GLU 1 HA GLU 1 28.664 1.060 10.765 3 HB2 GLU 1 2HB GLU 1 26.783 3.297 9.979 4 HB3 GLU 1 1HB GLU 1 27.291 2.925 11.620 5 HG2 GLU 1 2HG GLU 1 29.109 3.787 9.382 6 HG3 GLU 1 1HG GLU 1 28.514 4.819 10.681 7 H VAL 2 H VAL 2 26.902 -0.408 8.741 8 HA VAL 2 HA VAL 2 24.535 -0.792 10.446 9 HB VAL 2 HB VAL 2 24.015 -0.177 8.138 10 HG11 VAL 2 1HG1 VAL 2 25.478 -2.703 7.379 11 HG12 VAL 2 2HG1 VAL 2 26.016 -1.055 7.058 12 HG13 VAL 2 3HG1 VAL 2 24.557 -1.671 6.283 13 HG21 VAL 2 3HG2 VAL 2 23.346 -3.045 8.789 14 HG22 VAL 2 1HG2 VAL 2 22.509 -2.046 7.601 15 HG23 VAL 2 2HG2 VAL 2 22.454 -1.615 9.310 16 H GLU 3 H GLU 3 23.988 -2.810 11.208 17 HA GLU 3 HA GLU 3 25.483 -5.150 10.402 18 HB2 GLU 3 2HB GLU 3 26.952 -4.096 12.095 19 HB3 GLU 3 1HB GLU 3 25.638 -4.173 13.260 20 HG2 GLU 3 2HG GLU 3 25.639 -6.629 13.051 21 HG3 GLU 3 1HG GLU 3 27.016 -6.510 11.958 22 H LYS 4 H LYS 4 23.004 -3.640 12.353 23 HA LYS 4 HA LYS 4 21.793 -5.890 13.461 24 HB2 LYS 4 2HB LYS 4 20.555 -3.291 12.539 25 HB3 LYS 4 1HB LYS 4 19.712 -4.496 13.501 26 HG2 LYS 4 2HG LYS 4 22.232 -3.087 14.356 27 HG3 LYS 4 1HG LYS 4 20.600 -2.611 14.827 28 HD2 LYS 4 2HD LYS 4 20.271 -4.798 15.882 29 HD3 LYS 4 1HD LYS 4 21.906 -5.269 15.414 30 HE2 LYS 4 2HE LYS 4 21.819 -4.549 17.747 31 HE3 LYS 4 1HE LYS 4 22.827 -3.473 16.781 32 HZ1 LYS 4 3HZ LYS 4 20.997 -1.907 16.669 33 HZ2 LYS 4 1HZ LYS 4 21.376 -2.248 18.283 34 HZ3 LYS 4 2HZ LYS 4 20.011 -2.945 17.569 35 H SER 5 H SER 5 20.579 -7.487 12.689 36 HA SER 5 HA SER 5 19.669 -8.917 11.166 37 HB2 SER 5 2HB SER 5 17.749 -8.005 9.918 38 HB3 SER 5 1HB SER 5 17.754 -7.452 11.593 39 HG SER 5 HG SER 5 17.789 -5.502 10.847 40 H SER 6 H SER 6 21.642 -9.346 10.063 41 HA SER 6 HA SER 6 22.166 -7.870 7.609 42 HB2 SER 6 2HB SER 6 23.654 -10.183 8.876 43 HB3 SER 6 1HB SER 6 24.184 -9.288 7.453 44 HG SER 6 HG SER 6 25.055 -8.635 9.590 45 H ASP 7 H ASP 7 19.779 -8.960 7.285 46 HA ASP 7 HA ASP 7 20.276 -11.154 5.401 47 HB2 ASP 7 2HB ASP 7 18.013 -11.046 7.407 48 HB3 ASP 7 1HB ASP 7 18.154 -12.230 6.109 49 H GLY 8 H GLY 8 20.061 -8.425 4.792 50 HA2 GLY 8 2HA GLY 8 18.559 -8.237 2.599 51 HA3 GLY 8 1HA GLY 8 17.348 -7.972 3.841 52 HA PRO 9 HA PRO 9 20.604 -4.256 3.284 53 HB2 PRO 9 2HB PRO 9 19.532 -3.807 0.546 54 HB3 PRO 9 1HB PRO 9 21.172 -3.581 1.165 55 HG2 PRO 9 2HG PRO 9 20.585 -5.659 -0.393 56 HG3 PRO 9 1HG PRO 9 21.693 -5.834 0.981 57 HD2 PRO 9 2HD PRO 9 18.831 -6.666 0.734 58 HD3 PRO 9 1HD PRO 9 20.183 -7.493 1.536 59 H GLY 10 H GLY 10 19.285 -3.243 4.758 60 HA2 GLY 10 2HA GLY 10 17.968 -1.295 5.119 61 HA3 GLY 10 1HA GLY 10 17.137 -1.610 3.603 62 H ALA 11 H ALA 11 15.054 -1.820 4.125 63 HA ALA 11 HA ALA 11 14.212 -4.082 5.677 64 HB1 ALA 11 1HB ALA 11 12.991 -2.896 7.387 65 HB2 ALA 11 2HB ALA 11 13.495 -1.343 6.720 66 HB3 ALA 11 3HB ALA 11 14.687 -2.417 7.453 67 H ALA 12 H ALA 12 12.990 -0.896 4.662 68 HA ALA 12 HA ALA 12 11.234 -0.264 3.376 69 HB1 ALA 12 1HB ALA 12 12.534 -1.832 1.802 70 HB2 ALA 12 2HB ALA 12 10.882 -1.383 1.379 71 HB3 ALA 12 3HB ALA 12 11.211 -2.964 2.088 72 H GLN 13 H GLN 13 9.491 0.022 4.572 73 HA GLN 13 HA GLN 13 8.131 -1.819 6.127 74 HB2 GLN 13 2HB GLN 13 6.219 -0.183 5.968 75 HB3 GLN 13 1HB GLN 13 7.759 0.507 6.464 76 HG2 GLN 13 2HG GLN 13 8.116 1.171 4.071 77 HG3 GLN 13 1HG GLN 13 6.447 0.690 3.769 78 HE21 GLN 13 1HE2 GLN 13 8.537 2.969 5.359 79 HE22 GLN 13 2HE2 GLN 13 7.330 4.159 5.686 80 H GLU 14 H GLU 14 5.876 -2.580 5.847 81 HA GLU 14 HA GLU 14 5.141 -3.180 3.076 82 HB2 GLU 14 2HB GLU 14 4.818 -5.524 3.535 83 HB3 GLU 14 1HB GLU 14 6.463 -5.092 3.979 84 HG2 GLU 14 2HG GLU 14 5.696 -4.903 6.342 85 HG3 GLU 14 1HG GLU 14 4.135 -5.537 5.825 86 HA PRO 15 HA PRO 15 1.027 -2.310 4.392 87 HB2 PRO 15 2HB PRO 15 -0.471 -4.132 3.036 88 HB3 PRO 15 1HB PRO 15 0.281 -2.728 2.272 89 HG2 PRO 15 2HG PRO 15 1.205 -5.571 2.339 90 HG3 PRO 15 1HG PRO 15 1.210 -4.420 0.991 91 HD2 PRO 15 2HD PRO 15 3.429 -4.986 2.435 92 HD3 PRO 15 1HD PRO 15 3.139 -3.392 1.708 93 H THR 16 H THR 16 -0.523 -2.854 5.890 94 HA THR 16 HA THR 16 0.129 -4.912 7.739 95 HB THR 16 HB THR 16 -2.474 -3.385 7.616 96 HG1 THR 16 1HG THR 16 0.092 -2.644 8.574 97 HG21 THR 16 3HG2 THR 16 -2.496 -3.745 10.029 98 HG22 THR 16 1HG2 THR 16 -0.961 -4.611 9.928 99 HG23 THR 16 2HG2 THR 16 -2.407 -5.286 9.175 100 H TRP 17 H TRP 17 -1.164 -6.696 8.397 101 HA TRP 17 HA TRP 17 -2.543 -7.966 6.153 102 HB2 TRP 17 2HB TRP 17 -1.447 -9.081 8.736 103 HB3 TRP 17 1HB TRP 17 -2.335 -10.039 7.557 104 HD1 TRP 17 HD TRP 17 -1.115 -9.835 4.933 105 HE1 TRP 17 1HE TRP 17 1.388 -10.144 4.415 106 HE3 TRP 17 3HE TRP 17 0.790 -8.956 9.593 107 HZ2 TRP 17 2HZ TRP 17 3.845 -10.031 5.803 108 HZ3 TRP 17 3HZ TRP 17 3.226 -9.076 9.915 109 HH2 TRP 17 HH TRP 17 4.720 -9.603 8.058 110 H LEU 18 H LEU 18 -4.533 -6.880 6.290 111 HA LEU 18 HA LEU 18 -6.094 -6.973 8.721 112 HB2 LEU 18 2HB LEU 18 -6.952 -6.200 5.932 113 HB3 LEU 18 1HB LEU 18 -7.794 -5.835 7.428 114 HG LEU 18 HG LEU 18 -5.064 -4.777 6.703 115 HD11 LEU 18 1HD1 LEU 18 -6.212 -2.633 6.371 116 HD12 LEU 18 2HD1 LEU 18 -7.760 -3.449 6.574 117 HD13 LEU 18 3HD1 LEU 18 -6.723 -3.858 5.210 118 HD21 LEU 18 3HD2 LEU 18 -5.356 -4.917 9.086 119 HD22 LEU 18 1HD2 LEU 18 -6.938 -4.148 8.974 120 HD23 LEU 18 2HD2 LEU 18 -5.484 -3.229 8.586 121 H THR 19 H THR 19 -5.811 -9.379 8.779 122 HA THR 19 HA THR 19 -7.096 -11.065 6.907 123 HB THR 19 HB THR 19 -6.799 -12.844 8.540 124 HG1 THR 19 1HG THR 19 -7.320 -11.737 10.448 125 HG21 THR 19 3HG2 THR 19 -4.453 -10.942 8.429 126 HG22 THR 19 1HG2 THR 19 -4.846 -12.190 7.247 127 HG23 THR 19 2HG2 THR 19 -4.359 -12.644 8.880 128 H ASP 20 H ASP 20 -8.546 -8.906 8.937 129 HA ASP 20 HA ASP 20 -11.045 -10.402 8.810 130 HB2 ASP 20 2HB ASP 20 -9.835 -9.361 11.367 131 HB3 ASP 20 1HB ASP 20 -11.556 -9.703 11.205 132 H VAL 21 H VAL 21 -12.908 -9.151 8.813 133 HA VAL 21 HA VAL 21 -12.779 -6.661 7.601 134 HB VAL 21 HB VAL 21 -15.091 -7.601 9.302 135 HG11 VAL 21 1HG1 VAL 21 -15.114 -5.908 6.812 136 HG12 VAL 21 2HG1 VAL 21 -15.075 -5.238 8.444 137 HG13 VAL 21 3HG1 VAL 21 -16.446 -6.218 7.926 138 HG21 VAL 21 3HG2 VAL 21 -15.957 -8.637 7.233 139 HG22 VAL 21 1HG2 VAL 21 -14.470 -9.396 7.806 140 HG23 VAL 21 2HG2 VAL 21 -14.424 -8.281 6.441 141 HA PRO 22 HA PRO 22 -13.737 -4.705 12.017 142 HB2 PRO 22 2HB PRO 22 -12.461 -6.113 14.029 143 HB3 PRO 22 1HB PRO 22 -14.190 -6.197 13.680 144 HG2 PRO 22 2HG PRO 22 -11.992 -8.040 12.834 145 HG3 PRO 22 1HG PRO 22 -13.627 -8.433 13.407 146 HD2 PRO 22 2HD PRO 22 -13.034 -8.528 10.814 147 HD3 PRO 22 1HD PRO 22 -14.602 -7.897 11.358 148 H ALA 23 H ALA 23 -10.744 -6.638 11.777 149 HA ALA 23 HA ALA 23 -9.056 -4.656 12.848 150 HB1 ALA 23 1HB ALA 23 -7.211 -5.972 11.919 151 HB2 ALA 23 2HB ALA 23 -8.362 -6.915 10.970 152 HB3 ALA 23 3HB ALA 23 -8.389 -7.003 12.732 153 H ALA 24 H ALA 24 -10.194 -5.346 9.637 154 HA ALA 24 HA ALA 24 -8.443 -3.661 8.201 155 HB1 ALA 24 1HB ALA 24 -10.198 -3.730 6.429 156 HB2 ALA 24 2HB ALA 24 -11.247 -4.587 7.560 157 HB3 ALA 24 3HB ALA 24 -9.736 -5.325 7.031 158 H MET 25 H MET 25 -11.826 -3.141 9.174 159 HA MET 25 HA MET 25 -11.966 -0.435 8.475 160 HB2 MET 25 2HB MET 25 -13.550 -1.832 10.635 161 HB3 MET 25 1HB MET 25 -14.006 -0.368 9.773 162 HG2 MET 25 2HG MET 25 -14.091 -1.668 7.680 163 HG3 MET 25 1HG MET 25 -13.734 -3.125 8.602 164 HE1 MET 25 3HE MET 25 -16.012 -0.052 9.540 165 HE2 MET 25 1HE MET 25 -17.600 -0.646 9.055 166 HE3 MET 25 2HE MET 25 -16.368 -0.324 7.835 167 H GLU 26 H GLU 26 -10.681 -2.023 11.297 168 HA GLU 26 HA GLU 26 -10.713 0.263 13.001 169 HB2 GLU 26 2HB GLU 26 -9.347 -2.402 13.084 170 HB3 GLU 26 1HB GLU 26 -8.845 -1.133 14.194 171 HG2 GLU 26 2HG GLU 26 -11.271 -0.944 14.868 172 HG3 GLU 26 1HG GLU 26 -11.536 -2.437 13.967 173 H PHE 27 H PHE 27 -8.154 -1.300 11.081 174 HA PHE 27 HA PHE 27 -6.152 0.558 11.675 175 HB2 PHE 27 2HB PHE 27 -6.558 -1.499 9.580 176 HB3 PHE 27 1HB PHE 27 -5.395 -0.228 9.210 177 HD1 PHE 27 2HD PHE 27 -6.165 -3.050 11.413 178 HD2 PHE 27 1HD PHE 27 -3.333 -0.033 10.431 179 HE1 PHE 27 2HE PHE 27 -4.472 -4.202 12.776 180 HE2 PHE 27 1HE PHE 27 -1.634 -1.177 11.792 181 HZ PHE 27 HZ PHE 27 -2.204 -3.265 12.969 182 H ILE 28 H ILE 28 -8.731 0.569 9.299 183 HA ILE 28 HA ILE 28 -7.812 2.894 7.908 184 HB ILE 28 HB ILE 28 -10.468 1.482 8.016 185 HG12 ILE 28 2HG1 ILE 28 -8.713 1.994 5.622 186 HG13 ILE 28 1HG1 ILE 28 -8.428 0.627 6.701 187 HG21 ILE 28 1HG2 ILE 28 -11.242 3.019 6.236 188 HG22 ILE 28 2HG2 ILE 28 -9.817 4.014 6.519 189 HG23 ILE 28 3HG2 ILE 28 -11.019 3.814 7.792 190 HD11 ILE 28 3HD1 ILE 28 -11.107 1.084 5.447 191 HD12 ILE 28 1HD1 ILE 28 -10.428 -0.404 6.111 192 HD13 ILE 28 2HD1 ILE 28 -9.814 0.245 4.588 193 H ALA 29 H ALA 29 -9.972 2.265 10.605 194 HA ALA 29 HA ALA 29 -10.923 4.946 10.843 195 HB1 ALA 29 1HB ALA 29 -11.846 4.184 12.995 196 HB2 ALA 29 2HB ALA 29 -10.976 2.659 12.813 197 HB3 ALA 29 3HB ALA 29 -12.249 3.092 11.670 198 H ALA 30 H ALA 30 -8.056 3.346 11.748 199 HA ALA 30 HA ALA 30 -7.433 5.306 13.834 200 HB1 ALA 30 1HB ALA 30 -5.552 3.888 14.390 201 HB2 ALA 30 2HB ALA 30 -5.873 2.872 12.985 202 HB3 ALA 30 3HB ALA 30 -7.029 2.927 14.315 203 H THR 31 H THR 31 -7.543 5.928 10.930 204 HA THR 31 HA THR 31 -5.194 7.527 10.795 205 HB THR 31 HB THR 31 -4.170 5.388 10.160 206 HG1 THR 31 1HG THR 31 -3.007 6.471 8.757 207 HG21 THR 31 3HG2 THR 31 -5.776 5.374 7.642 208 HG22 THR 31 1HG2 THR 31 -6.425 4.619 9.098 209 HG23 THR 31 2HG2 THR 31 -4.900 4.059 8.423 210 H GLU 32 H GLU 32 -5.219 9.006 9.054 211 HA GLU 32 HA GLU 32 -7.778 9.781 8.159 212 HB2 GLU 32 2HB GLU 32 -5.532 11.119 8.410 213 HB3 GLU 32 1HB GLU 32 -5.283 10.636 6.737 214 HG2 GLU 32 2HG GLU 32 -7.347 11.711 6.088 215 HG3 GLU 32 1HG GLU 32 -7.677 12.130 7.769 216 H VAL 33 H VAL 33 -5.085 9.064 5.943 217 HA VAL 33 HA VAL 33 -7.017 7.913 4.074 218 HB VAL 33 HB VAL 33 -4.111 8.510 3.545 219 HG11 VAL 33 1HG1 VAL 33 -4.864 8.583 1.194 220 HG12 VAL 33 2HG1 VAL 33 -6.477 8.089 1.718 221 HG13 VAL 33 3HG1 VAL 33 -5.099 7.003 1.941 222 HG21 VAL 33 3HG2 VAL 33 -6.521 10.278 3.178 223 HG22 VAL 33 1HG2 VAL 33 -4.928 10.601 2.490 224 HG23 VAL 33 2HG2 VAL 33 -5.141 10.565 4.240 225 H ALA 34 H ALA 34 -6.943 5.811 3.388 226 HA ALA 34 HA ALA 34 -4.765 4.108 4.339 227 HB1 ALA 34 1HB ALA 34 -7.676 3.697 4.968 228 HB2 ALA 34 2HB ALA 34 -6.323 3.822 6.092 229 HB3 ALA 34 3HB ALA 34 -6.485 2.399 5.060 230 H VAL 35 H VAL 35 -4.053 2.862 2.768 231 HA VAL 35 HA VAL 35 -5.900 2.170 0.585 232 HB VAL 35 HB VAL 35 -2.918 2.604 0.545 233 HG11 VAL 35 1HG1 VAL 35 -3.378 0.596 -0.757 234 HG12 VAL 35 2HG1 VAL 35 -2.997 1.941 -1.832 235 HG13 VAL 35 3HG1 VAL 35 -4.671 1.429 -1.621 236 HG21 VAL 35 3HG2 VAL 35 -5.271 3.853 -0.859 237 HG22 VAL 35 1HG2 VAL 35 -3.584 4.222 -1.231 238 HG23 VAL 35 2HG2 VAL 35 -4.239 4.595 0.366 239 H ILE 36 H ILE 36 -6.298 0.098 0.203 240 HA ILE 36 HA ILE 36 -4.603 -1.903 1.517 241 HB ILE 36 HB ILE 36 -7.612 -1.829 1.689 242 HG12 ILE 36 2HG1 ILE 36 -5.680 -1.642 3.985 243 HG13 ILE 36 1HG1 ILE 36 -6.148 -0.204 3.091 244 HG21 ILE 36 1HG2 ILE 36 -6.873 -4.105 1.590 245 HG22 ILE 36 2HG2 ILE 36 -7.270 -3.736 3.270 246 HG23 ILE 36 3HG2 ILE 36 -5.584 -3.794 2.751 247 HD11 ILE 36 3HD1 ILE 36 -7.497 -0.385 5.038 248 HD12 ILE 36 1HD1 ILE 36 -7.942 -2.043 4.634 249 HD13 ILE 36 2HD1 ILE 36 -8.505 -0.710 3.625 250 H GLY 37 H GLY 37 -4.279 -3.744 0.447 251 HA2 GLY 37 2HA GLY 37 -5.502 -3.971 -2.204 252 HA3 GLY 37 1HA GLY 37 -4.013 -4.741 -1.697 253 H PHE 38 H PHE 38 -7.460 -4.995 -1.858 254 HA PHE 38 HA PHE 38 -7.589 -7.401 -0.247 255 HB2 PHE 38 2HB PHE 38 -9.677 -6.070 -1.994 256 HB3 PHE 38 1HB PHE 38 -9.971 -7.438 -0.928 257 HD1 PHE 38 1HD PHE 38 -8.810 -6.887 1.543 258 HD2 PHE 38 2HD PHE 38 -10.568 -4.121 -1.168 259 HE1 PHE 38 1HE PHE 38 -9.278 -5.358 3.412 260 HE2 PHE 38 2HE PHE 38 -11.040 -2.590 0.699 261 HZ PHE 38 HZ PHE 38 -10.393 -3.206 2.990 262 H PHE 39 H PHE 39 -6.236 -8.856 -1.262 263 HA PHE 39 HA PHE 39 -6.929 -9.612 -4.020 264 HB2 PHE 39 2HB PHE 39 -4.385 -10.269 -2.541 265 HB3 PHE 39 1HB PHE 39 -4.697 -10.445 -4.266 266 HD1 PHE 39 1HD PHE 39 -5.917 -7.880 -4.951 267 HD2 PHE 39 2HD PHE 39 -2.658 -8.749 -2.357 268 HE1 PHE 39 1HE PHE 39 -5.006 -5.634 -5.351 269 HE2 PHE 39 2HE PHE 39 -1.743 -6.500 -2.751 270 HZ PHE 39 HZ PHE 39 -2.917 -4.938 -4.249 271 H GLN 40 H GLN 40 -7.271 -11.731 -4.579 272 HA GLN 40 HA GLN 40 -7.923 -13.542 -2.386 273 HB2 GLN 40 2HB GLN 40 -8.386 -13.807 -5.367 274 HB3 GLN 40 1HB GLN 40 -8.961 -14.934 -4.147 275 HG2 GLN 40 2HG GLN 40 -10.322 -13.142 -3.162 276 HG3 GLN 40 1HG GLN 40 -9.777 -12.051 -4.435 277 HE21 GLN 40 1HE2 GLN 40 -12.468 -12.965 -3.753 278 HE22 GLN 40 2HE2 GLN 40 -13.100 -13.696 -5.185 279 H ASP 41 H ASP 41 -5.368 -12.760 -4.285 280 HA ASP 41 HA ASP 41 -3.920 -15.182 -3.618 281 HB2 ASP 41 2HB ASP 41 -4.923 -15.611 -5.878 282 HB3 ASP 41 1HB ASP 41 -4.054 -14.199 -6.486 283 H LEU 42 H LEU 42 -2.018 -14.518 -2.797 284 HA LEU 42 HA LEU 42 -1.152 -11.800 -3.353 285 HB2 LEU 42 2HB LEU 42 -0.114 -13.822 -1.372 286 HB3 LEU 42 1HB LEU 42 0.465 -12.172 -1.523 287 HG LEU 42 HG LEU 42 -2.319 -13.005 -0.711 288 HD11 LEU 42 1HD1 LEU 42 -0.660 -13.405 1.025 289 HD12 LEU 42 2HD1 LEU 42 -1.703 -12.052 1.459 290 HD13 LEU 42 3HD1 LEU 42 -0.071 -11.751 0.862 291 HD21 LEU 42 3HD2 LEU 42 -2.463 -10.951 -1.940 292 HD22 LEU 42 1HD2 LEU 42 -1.081 -10.278 -1.073 293 HD23 LEU 42 2HD2 LEU 42 -2.596 -10.573 -0.222 294 H GLU 43 H GLU 43 -0.892 -13.312 -5.560 295 HA GLU 43 HA GLU 43 2.022 -13.434 -5.864 296 HB2 GLU 43 2HB GLU 43 0.111 -15.449 -7.056 297 HB3 GLU 43 1HB GLU 43 1.854 -15.424 -7.262 298 HG2 GLU 43 2HG GLU 43 2.125 -15.821 -4.861 299 HG3 GLU 43 1HG GLU 43 0.372 -15.895 -4.692 300 H ILE 44 H ILE 44 -0.614 -11.862 -6.625 301 HA ILE 44 HA ILE 44 -0.291 -11.683 -9.510 302 HB ILE 44 HB ILE 44 -2.092 -9.861 -9.200 303 HG12 ILE 44 2HG1 ILE 44 -2.675 -11.280 -6.642 304 HG13 ILE 44 1HG1 ILE 44 -1.556 -9.929 -6.643 305 HG21 ILE 44 1HG2 ILE 44 -3.842 -11.498 -9.255 306 HG22 ILE 44 2HG2 ILE 44 -2.818 -12.692 -8.454 307 HG23 ILE 44 3HG2 ILE 44 -2.438 -12.157 -10.096 308 HD11 ILE 44 3HD1 ILE 44 -3.600 -8.993 -6.096 309 HD12 ILE 44 1HD1 ILE 44 -4.464 -9.956 -7.296 310 HD13 ILE 44 2HD1 ILE 44 -3.413 -8.637 -7.814 311 HA PRO 45 HA PRO 45 2.332 -8.146 -9.843 312 HB2 PRO 45 2HB PRO 45 0.122 -6.837 -11.361 313 HB3 PRO 45 1HB PRO 45 1.817 -7.043 -11.807 314 HG2 PRO 45 2HG PRO 45 -0.054 -8.566 -12.917 315 HG3 PRO 45 1HG PRO 45 1.509 -9.264 -12.447 316 HD2 PRO 45 2HD PRO 45 -1.149 -9.485 -11.101 317 HD3 PRO 45 1HD PRO 45 0.140 -10.695 -11.263 318 H ALA 46 H ALA 46 -0.983 -7.676 -8.839 319 HA ALA 46 HA ALA 46 -0.807 -4.980 -8.044 320 HB1 ALA 46 1HB ALA 46 -2.880 -5.330 -6.927 321 HB2 ALA 46 2HB ALA 46 -2.617 -7.073 -6.868 322 HB3 ALA 46 3HB ALA 46 -2.906 -6.277 -8.415 323 H VAL 47 H VAL 47 -0.085 -7.984 -6.317 324 HA VAL 47 HA VAL 47 0.054 -6.873 -3.746 325 HB VAL 47 HB VAL 47 1.808 -9.167 -4.579 326 HG11 VAL 47 1HG1 VAL 47 1.356 -9.934 -2.303 327 HG12 VAL 47 2HG1 VAL 47 0.334 -8.525 -2.026 328 HG13 VAL 47 3HG1 VAL 47 2.063 -8.319 -2.305 329 HG21 VAL 47 3HG2 VAL 47 -1.079 -9.452 -3.796 330 HG22 VAL 47 1HG2 VAL 47 0.008 -10.682 -4.436 331 HG23 VAL 47 2HG2 VAL 47 -0.557 -9.375 -5.478 332 HA PRO 48 HA PRO 48 4.869 -6.357 -4.425 333 HB2 PRO 48 2HB PRO 48 4.970 -6.116 -7.379 334 HB3 PRO 48 1HB PRO 48 6.091 -6.927 -6.275 335 HG2 PRO 48 2HG PRO 48 4.443 -8.330 -7.833 336 HG3 PRO 48 1HG PRO 48 4.808 -8.853 -6.178 337 HD2 PRO 48 2HD PRO 48 2.373 -7.480 -7.241 338 HD3 PRO 48 1HD PRO 48 2.500 -8.782 -6.045 339 H ILE 49 H ILE 49 2.743 -5.023 -6.910 340 HA ILE 49 HA ILE 49 3.878 -2.470 -7.060 341 HB ILE 49 HB ILE 49 1.251 -3.643 -7.815 342 HG12 ILE 49 2HG1 ILE 49 3.016 -1.970 -9.543 343 HG13 ILE 49 1HG1 ILE 49 3.540 -3.591 -9.105 344 HG21 ILE 49 1HG2 ILE 49 1.792 -0.730 -7.509 345 HG22 ILE 49 2HG2 ILE 49 0.334 -1.647 -7.135 346 HG23 ILE 49 3HG2 ILE 49 0.752 -1.303 -8.811 347 HD11 ILE 49 3HD1 ILE 49 0.838 -3.113 -10.287 348 HD12 ILE 49 1HD1 ILE 49 1.791 -4.595 -10.247 349 HD13 ILE 49 2HD1 ILE 49 2.273 -3.264 -11.301 350 H LEU 50 H LEU 50 1.448 -3.816 -4.891 351 HA LEU 50 HA LEU 50 0.775 -1.301 -3.706 352 HB2 LEU 50 2HB LEU 50 -0.828 -3.085 -3.579 353 HB3 LEU 50 1HB LEU 50 0.331 -4.140 -2.802 354 HG LEU 50 HG LEU 50 0.337 -2.564 -0.846 355 HD11 LEU 50 1HD1 LEU 50 -2.072 -1.388 -2.217 356 HD12 LEU 50 2HD1 LEU 50 -0.506 -0.596 -2.059 357 HD13 LEU 50 3HD1 LEU 50 -1.455 -0.966 -0.620 358 HD21 LEU 50 3HD2 LEU 50 -1.057 -4.685 -1.064 359 HD22 LEU 50 1HD2 LEU 50 -2.426 -3.619 -1.401 360 HD23 LEU 50 2HD2 LEU 50 -1.570 -3.505 0.142 361 H HIS 51 H HIS 51 2.715 -4.082 -2.587 362 HA HIS 51 HA HIS 51 3.683 -2.968 -0.241 363 HB2 HIS 51 2HB HIS 51 4.989 -4.895 -2.172 364 HB3 HIS 51 1HB HIS 51 5.701 -4.460 -0.621 365 HD1 HIS 51 1HD HIS 51 5.396 -6.426 0.840 366 HD2 HIS 51 2HD HIS 51 1.976 -5.608 -1.371 367 HE1 HIS 51 1HE HIS 51 3.671 -8.075 1.634 368 HE2 HIS 51 2HE HIS 51 1.605 -7.552 0.292 369 H SER 52 H SER 52 4.439 -2.266 -3.529 370 HA SER 52 HA SER 52 6.903 -0.876 -2.952 371 HB2 SER 52 2HB SER 52 6.618 -1.998 -5.114 372 HB3 SER 52 1HB SER 52 5.235 -0.966 -5.479 373 HG SER 52 HG SER 52 6.762 0.831 -5.234 374 H MET 53 H MET 53 3.574 0.015 -3.846 375 HA MET 53 HA MET 53 3.972 2.789 -3.898 376 HB2 MET 53 2HB MET 53 1.671 3.005 -4.052 377 HB3 MET 53 1HB MET 53 1.917 1.370 -4.644 378 HG2 MET 53 2HG MET 53 0.108 1.153 -3.232 379 HG3 MET 53 1HG MET 53 1.457 0.652 -2.220 380 HE1 MET 53 3HE MET 53 0.416 0.994 0.108 381 HE2 MET 53 1HE MET 53 -1.114 1.215 -0.743 382 HE3 MET 53 2HE MET 53 -0.634 2.350 0.520 383 H VAL 54 H VAL 54 3.636 0.532 -1.321 384 HA VAL 54 HA VAL 54 2.792 2.083 0.799 385 HB VAL 54 HB VAL 54 4.831 -0.131 0.753 386 HG11 VAL 54 1HG1 VAL 54 5.156 1.261 2.734 387 HG12 VAL 54 2HG1 VAL 54 4.514 -0.330 3.153 388 HG13 VAL 54 3HG1 VAL 54 3.449 1.076 3.136 389 HG21 VAL 54 3HG2 VAL 54 2.839 -1.334 1.851 390 HG22 VAL 54 1HG2 VAL 54 2.800 -1.057 0.111 391 HG23 VAL 54 2HG2 VAL 54 1.874 -0.014 1.188 392 H GLN 55 H GLN 55 6.111 1.611 -0.372 393 HA GLN 55 HA GLN 55 7.222 3.464 1.494 394 HB2 GLN 55 2HB GLN 55 8.548 2.551 -1.034 395 HB3 GLN 55 1HB GLN 55 9.284 2.993 0.501 396 HG2 GLN 55 2HG GLN 55 8.418 0.981 1.527 397 HG3 GLN 55 1HG GLN 55 7.598 0.550 0.026 398 HE21 GLN 55 1HE2 GLN 55 8.680 -1.366 -0.242 399 HE22 GLN 55 2HE2 GLN 55 10.359 -1.453 -0.642 400 H LYS 56 H LYS 56 5.461 3.824 -1.310 401 HA LYS 56 HA LYS 56 6.735 6.332 -2.100 402 HB2 LYS 56 2HB LYS 56 4.398 4.863 -3.334 403 HB3 LYS 56 1HB LYS 56 5.199 6.275 -4.007 404 HG2 LYS 56 2HG LYS 56 7.257 4.997 -4.265 405 HG3 LYS 56 1HG LYS 56 6.469 3.578 -3.573 406 HD2 LYS 56 2HD LYS 56 6.387 3.272 -5.908 407 HD3 LYS 56 1HD LYS 56 4.767 3.800 -5.446 408 HE2 LYS 56 2HE LYS 56 5.356 5.023 -7.394 409 HE3 LYS 56 1HE LYS 56 5.477 6.136 -6.031 410 HZ1 LYS 56 3HZ LYS 56 7.879 5.754 -6.004 411 HZ2 LYS 56 1HZ LYS 56 7.365 6.387 -7.486 412 HZ3 LYS 56 2HZ LYS 56 7.741 4.743 -7.353 413 H PHE 57 H PHE 57 4.153 5.112 -0.249 414 HA PHE 57 HA PHE 57 3.144 7.833 0.170 415 HB2 PHE 57 2HB PHE 57 1.537 5.377 -0.472 416 HB3 PHE 57 1HB PHE 57 0.829 6.738 0.395 417 HD1 PHE 57 1HD PHE 57 0.459 8.860 -0.708 418 HD2 PHE 57 2HD PHE 57 2.138 5.557 -2.799 419 HE1 PHE 57 1HE PHE 57 0.024 9.998 -2.846 420 HE2 PHE 57 2HE PHE 57 1.707 6.688 -4.938 421 HZ PHE 57 HZ PHE 57 0.650 8.912 -4.966 422 HA PRO 58 HA PRO 58 4.338 5.470 4.121 423 HB2 PRO 58 2HB PRO 58 5.377 7.831 5.192 424 HB3 PRO 58 1HB PRO 58 6.323 6.533 4.459 425 HG2 PRO 58 2HG PRO 58 5.359 9.094 3.253 426 HG3 PRO 58 1HG PRO 58 6.915 8.267 3.038 427 HD2 PRO 58 2HD PRO 58 5.048 8.126 1.150 428 HD3 PRO 58 1HD PRO 58 6.004 6.690 1.571 429 H GLY 59 H GLY 59 3.106 8.772 3.608 430 HA2 GLY 59 2HA GLY 59 1.766 9.081 6.042 431 HA3 GLY 59 1HA GLY 59 1.333 9.891 4.541 432 H VAL 60 H VAL 60 0.762 7.558 3.041 433 HA VAL 60 HA VAL 60 -1.947 7.115 3.783 434 HB VAL 60 HB VAL 60 -0.144 5.992 1.654 435 HG11 VAL 60 1HG1 VAL 60 -1.538 4.115 2.332 436 HG12 VAL 60 2HG1 VAL 60 -2.053 4.721 0.758 437 HG13 VAL 60 3HG1 VAL 60 -2.983 5.119 2.202 438 HG21 VAL 60 3HG2 VAL 60 -1.016 8.192 1.251 439 HG22 VAL 60 1HG2 VAL 60 -2.655 7.662 1.628 440 HG23 VAL 60 2HG2 VAL 60 -1.843 7.057 0.184 441 H SER 61 H SER 61 -2.929 5.249 4.604 442 HA SER 61 HA SER 61 -1.208 3.623 6.261 443 HB2 SER 61 2HB SER 61 -3.352 4.451 7.141 444 HB3 SER 61 1HB SER 61 -4.209 3.527 5.911 445 HG SER 61 HG SER 61 -3.381 1.631 6.841 446 H PHE 62 H PHE 62 -0.072 2.207 5.085 447 HA PHE 62 HA PHE 62 -1.023 0.787 2.845 448 HB2 PHE 62 2HB PHE 62 0.998 -0.746 3.459 449 HB3 PHE 62 1HB PHE 62 1.296 0.912 2.946 450 HD1 PHE 62 1HD PHE 62 1.219 -1.359 5.841 451 HD2 PHE 62 2HD PHE 62 2.198 2.539 4.445 452 HE1 PHE 62 1HE PHE 62 2.444 -0.923 7.928 453 HE2 PHE 62 2HE PHE 62 3.427 2.980 6.529 454 HZ PHE 62 HZ PHE 62 3.550 1.247 8.275 455 H GLY 63 H GLY 63 -2.266 -0.946 2.694 456 HA2 GLY 63 2HA GLY 63 -2.376 -2.851 4.913 457 HA3 GLY 63 1HA GLY 63 -3.881 -2.093 4.413 458 H ILE 64 H ILE 64 -3.477 -4.844 4.362 459 HA ILE 64 HA ILE 64 -4.147 -5.394 1.633 460 HB ILE 64 HB ILE 64 -1.517 -5.448 1.936 461 HG12 ILE 64 2HG1 ILE 64 -3.048 -7.583 0.446 462 HG13 ILE 64 1HG1 ILE 64 -2.734 -5.952 -0.132 463 HG21 ILE 64 1HG2 ILE 64 -2.312 -8.215 2.820 464 HG22 ILE 64 2HG2 ILE 64 -1.486 -7.007 3.799 465 HG23 ILE 64 3HG2 ILE 64 -0.682 -7.701 2.395 466 HD11 ILE 64 3HD1 ILE 64 -0.318 -6.438 -0.084 467 HD12 ILE 64 1HD1 ILE 64 -1.216 -7.491 -1.178 468 HD13 ILE 64 2HD1 ILE 64 -0.688 -8.096 0.394 469 H SER 65 H SER 65 -5.278 -7.329 1.431 470 HA SER 65 HA SER 65 -5.402 -9.114 3.723 471 HB2 SER 65 2HB SER 65 -7.064 -7.458 4.344 472 HB3 SER 65 1HB SER 65 -7.818 -7.577 2.756 473 HG SER 65 HG SER 65 -8.509 -9.621 3.238 474 H THR 66 H THR 66 -6.580 -11.062 3.330 475 HA THR 66 HA THR 66 -7.196 -11.647 0.529 476 HB THR 66 HB THR 66 -6.027 -13.831 0.708 477 HG1 THR 66 1HG THR 66 -4.827 -12.718 3.038 478 HG21 THR 66 3HG2 THR 66 -4.972 -11.859 -0.365 479 HG22 THR 66 1HG2 THR 66 -3.807 -12.989 0.325 480 HG23 THR 66 2HG2 THR 66 -4.189 -11.490 1.171 481 H ASP 67 H ASP 67 -8.173 -11.598 3.626 482 HA ASP 67 HA ASP 67 -9.445 -14.112 3.951 483 HB2 ASP 67 2HB ASP 67 -8.933 -12.585 5.833 484 HB3 ASP 67 1HB ASP 67 -10.136 -11.454 5.222 485 H SER 68 H SER 68 -11.441 -14.801 3.397 486 HA SER 68 HA SER 68 -12.731 -13.642 1.194 487 HB2 SER 68 2HB SER 68 -13.738 -15.704 3.167 488 HB3 SER 68 1HB SER 68 -14.521 -15.315 1.635 489 HG SER 68 HG SER 68 -12.443 -16.948 2.103 490 H GLU 69 H GLU 69 -13.721 -13.743 4.622 491 HA GLU 69 HA GLU 69 -16.130 -12.426 4.436 492 HB2 GLU 69 2HB GLU 69 -14.097 -12.145 6.645 493 HB3 GLU 69 1HB GLU 69 -15.798 -11.721 6.756 494 HG2 GLU 69 2HG GLU 69 -16.419 -14.045 6.396 495 HG3 GLU 69 1HG GLU 69 -14.718 -14.484 6.249 496 H VAL 70 H VAL 70 -12.897 -10.990 4.581 497 HA VAL 70 HA VAL 70 -13.875 -8.317 4.695 498 HB VAL 70 HB VAL 70 -11.154 -9.376 3.919 499 HG11 VAL 70 1HG1 VAL 70 -12.040 -6.539 4.408 500 HG12 VAL 70 2HG1 VAL 70 -11.442 -7.218 2.892 501 HG13 VAL 70 3HG1 VAL 70 -10.361 -7.061 4.278 502 HG21 VAL 70 3HG2 VAL 70 -12.403 -8.507 6.473 503 HG22 VAL 70 1HG2 VAL 70 -10.688 -8.187 6.219 504 HG23 VAL 70 2HG2 VAL 70 -11.296 -9.843 6.154 505 H LEU 71 H LEU 71 -12.342 -10.197 2.089 506 HA LEU 71 HA LEU 71 -12.694 -8.323 0.051 507 HB2 LEU 71 2HB LEU 71 -12.303 -11.283 0.122 508 HB3 LEU 71 1HB LEU 71 -12.720 -10.517 -1.398 509 HG LEU 71 HG LEU 71 -10.727 -9.234 -1.422 510 HD11 LEU 71 1HD1 LEU 71 -9.097 -9.307 0.441 511 HD12 LEU 71 2HD1 LEU 71 -10.292 -10.173 1.406 512 HD13 LEU 71 3HD1 LEU 71 -10.620 -8.525 0.865 513 HD21 LEU 71 3HD2 LEU 71 -10.087 -12.009 -0.434 514 HD22 LEU 71 1HD2 LEU 71 -8.984 -10.950 -1.314 515 HD23 LEU 71 2HD2 LEU 71 -10.444 -11.551 -2.101 516 H THR 72 H THR 72 -14.968 -10.187 1.724 517 HA THR 72 HA THR 72 -16.967 -10.122 -0.395 518 HB THR 72 HB THR 72 -17.149 -11.113 2.460 519 HG1 THR 72 1HG THR 72 -16.068 -12.213 0.316 520 HG21 THR 72 3HG2 THR 72 -19.336 -10.428 1.740 521 HG22 THR 72 1HG2 THR 72 -19.262 -12.189 1.658 522 HG23 THR 72 2HG2 THR 72 -19.130 -11.231 0.183 523 H HIS 73 H HIS 73 -16.317 -8.694 2.765 524 HA HIS 73 HA HIS 73 -18.681 -7.227 3.049 525 HB2 HIS 73 2HB HIS 73 -17.084 -7.576 4.889 526 HB3 HIS 73 1HB HIS 73 -15.910 -6.554 4.068 527 HD1 HIS 73 1HD HIS 73 -16.076 -4.077 4.456 528 HD2 HIS 73 2HD HIS 73 -19.405 -6.141 5.845 529 HE1 HIS 73 1HE HIS 73 -17.430 -2.386 5.735 530 HE2 HIS 73 2HE HIS 73 -19.451 -3.651 6.551 531 H TYR 74 H TYR 74 -15.618 -6.444 1.464 532 HA TYR 74 HA TYR 74 -16.645 -3.841 0.650 533 HB2 TYR 74 2HB TYR 74 -13.974 -5.192 0.261 534 HB3 TYR 74 1HB TYR 74 -14.371 -3.631 -0.446 535 HD1 TYR 74 2HD TYR 74 -13.656 -5.435 2.663 536 HD2 TYR 74 1HD TYR 74 -14.539 -1.647 0.937 537 HE1 TYR 74 2HE TYR 74 -12.955 -4.330 4.745 538 HE2 TYR 74 1HE TYR 74 -13.839 -0.532 3.014 539 HH TYR 74 HH TYR 74 -13.624 -1.099 5.428 540 H ASN 75 H ASN 75 -17.342 -6.749 -0.357 541 HA ASN 75 HA ASN 75 -18.110 -7.685 -2.277 542 HB2 ASN 75 2HB ASN 75 -18.208 -4.782 -3.096 543 HB3 ASN 75 1HB ASN 75 -18.889 -6.094 -4.055 544 HD21 ASN 75 1HD2 ASN 75 -20.214 -3.820 -2.827 545 HD22 ASN 75 2HD2 ASN 75 -21.414 -4.473 -1.768 546 H ILE 76 H ILE 76 -15.191 -7.167 -1.909 547 HA ILE 76 HA ILE 76 -13.941 -6.549 -4.345 548 HB ILE 76 HB ILE 76 -12.932 -8.488 -2.258 549 HG12 ILE 76 2HG1 ILE 76 -13.589 -6.398 -1.196 550 HG13 ILE 76 1HG1 ILE 76 -11.839 -6.539 -1.223 551 HG21 ILE 76 1HG2 ILE 76 -11.641 -6.973 -4.488 552 HG22 ILE 76 2HG2 ILE 76 -11.508 -8.681 -4.075 553 HG23 ILE 76 3HG2 ILE 76 -10.712 -7.466 -3.076 554 HD11 ILE 76 3HD1 ILE 76 -13.447 -4.913 -3.178 555 HD12 ILE 76 1HD1 ILE 76 -11.691 -4.973 -3.037 556 HD13 ILE 76 2HD1 ILE 76 -12.656 -4.270 -1.740 557 H THR 77 H THR 77 -14.037 -7.585 -6.233 558 HA THR 77 HA THR 77 -14.139 -10.516 -6.248 559 HB THR 77 HB THR 77 -15.781 -10.470 -8.115 560 HG1 THR 77 1HG THR 77 -16.906 -8.103 -7.652 561 HG21 THR 77 3HG2 THR 77 -16.534 -10.943 -5.848 562 HG22 THR 77 1HG2 THR 77 -17.755 -10.023 -6.727 563 HG23 THR 77 2HG2 THR 77 -16.731 -9.218 -5.538 564 H GLY 78 H GLY 78 -11.799 -9.428 -6.649 565 HA2 GLY 78 2HA GLY 78 -10.791 -10.322 -8.985 566 HA3 GLY 78 1HA GLY 78 -11.360 -8.719 -9.421 567 H ASN 79 H ASN 79 -9.819 -9.876 -6.432 568 HA ASN 79 HA ASN 79 -8.051 -9.048 -5.253 569 HB2 ASN 79 2HB ASN 79 -6.822 -8.707 -7.988 570 HB3 ASN 79 1HB ASN 79 -5.975 -8.960 -6.466 571 HD21 ASN 79 1HD2 ASN 79 -5.813 -10.499 -8.900 572 HD22 ASN 79 2HD2 ASN 79 -6.282 -12.111 -8.498 573 H THR 80 H THR 80 -9.988 -7.183 -5.658 574 HA THR 80 HA THR 80 -9.127 -4.745 -6.802 575 HB THR 80 HB THR 80 -11.242 -5.290 -4.708 576 HG1 THR 80 1HG THR 80 -12.351 -6.007 -6.345 577 HG21 THR 80 3HG2 THR 80 -12.237 -3.168 -5.373 578 HG22 THR 80 1HG2 THR 80 -10.900 -2.876 -6.484 579 HG23 THR 80 2HG2 THR 80 -10.606 -2.921 -4.747 580 H ILE 81 H ILE 81 -8.528 -2.807 -5.801 581 HA ILE 81 HA ILE 81 -7.362 -3.030 -3.098 582 HB ILE 81 HB ILE 81 -6.415 -1.378 -5.450 583 HG12 ILE 81 2HG1 ILE 81 -5.094 -3.608 -3.892 584 HG13 ILE 81 1HG1 ILE 81 -5.739 -3.735 -5.522 585 HG21 ILE 81 1HG2 ILE 81 -5.381 -1.404 -2.617 586 HG22 ILE 81 2HG2 ILE 81 -6.252 -0.082 -3.393 587 HG23 ILE 81 3HG2 ILE 81 -4.653 -0.544 -3.973 588 HD11 ILE 81 3HD1 ILE 81 -4.088 -2.017 -6.229 589 HD12 ILE 81 1HD1 ILE 81 -3.376 -3.529 -5.659 590 HD13 ILE 81 2HD1 ILE 81 -3.385 -2.110 -4.612 591 H CYS 82 H CYS 82 -8.509 -1.862 -1.664 592 HA CYS 82 HA CYS 82 -10.085 0.379 -2.701 593 HB2 CYS 82 2HB CYS 82 -10.400 -1.219 -0.171 594 HB3 CYS 82 1HB CYS 82 -11.404 0.159 -0.612 595 HG CYS 82 HG CYS 82 -12.727 -1.006 -2.644 596 H LEU 83 H LEU 83 -9.801 2.396 -2.096 597 HA LEU 83 HA LEU 83 -7.821 2.981 -0.007 598 HB2 LEU 83 2HB LEU 83 -7.001 3.960 -1.927 599 HB3 LEU 83 1HB LEU 83 -8.593 4.317 -2.557 600 HG LEU 83 HG LEU 83 -8.829 6.214 -1.094 601 HD11 LEU 83 1HD1 LEU 83 -6.086 5.747 0.027 602 HD12 LEU 83 2HD1 LEU 83 -7.529 5.104 0.810 603 HD13 LEU 83 3HD1 LEU 83 -7.346 6.846 0.594 604 HD21 LEU 83 3HD2 LEU 83 -6.833 7.565 -1.824 605 HD22 LEU 83 1HD2 LEU 83 -7.710 6.736 -3.111 606 HD23 LEU 83 2HD2 LEU 83 -6.185 6.079 -2.517 607 H PHE 84 H PHE 84 -8.926 3.269 1.859 608 HA PHE 84 HA PHE 84 -11.428 4.782 1.814 609 HB2 PHE 84 2HB PHE 84 -10.964 2.499 3.074 610 HB3 PHE 84 1HB PHE 84 -10.327 3.575 4.315 611 HD1 PHE 84 2HD PHE 84 -11.871 5.453 5.137 612 HD2 PHE 84 1HD PHE 84 -13.235 2.072 2.942 613 HE1 PHE 84 2HE PHE 84 -14.153 5.833 5.975 614 HE2 PHE 84 1HE PHE 84 -15.519 2.448 3.773 615 HZ PHE 84 HZ PHE 84 -15.981 4.330 5.292 616 H ARG 85 H ARG 85 -11.421 6.885 2.284 617 HA ARG 85 HA ARG 85 -9.095 7.990 3.712 618 HB2 ARG 85 2HB ARG 85 -10.996 9.872 2.475 619 HB3 ARG 85 1HB ARG 85 -9.238 9.853 2.441 620 HG2 ARG 85 2HG ARG 85 -9.276 8.121 0.726 621 HG3 ARG 85 1HG ARG 85 -11.048 8.134 0.759 622 HD2 ARG 85 2HD ARG 85 -9.216 10.375 -0.085 623 HD3 ARG 85 1HD ARG 85 -10.317 9.451 -1.107 624 HE ARG 85 HE ARG 85 -11.725 10.748 0.987 625 HH11 ARG 85 1HH1 ARG 85 -10.176 11.325 -2.081 626 HH12 ARG 85 2HH1 ARG 85 -11.142 12.712 -2.454 627 HH21 ARG 85 1HH2 ARG 85 -13.003 12.576 0.502 628 HH22 ARG 85 2HH2 ARG 85 -12.747 13.424 -0.986 629 H LEU 86 H LEU 86 -9.909 7.330 5.757 630 HA LEU 86 HA LEU 86 -12.118 7.498 7.119 631 HB2 LEU 86 2HB LEU 86 -10.319 7.062 8.456 632 HB3 LEU 86 1HB LEU 86 -9.394 8.421 7.851 633 HG LEU 86 HG LEU 86 -10.881 9.939 9.167 634 HD11 LEU 86 1HD1 LEU 86 -12.288 9.027 10.897 635 HD12 LEU 86 2HD1 LEU 86 -11.847 7.384 10.439 636 HD13 LEU 86 3HD1 LEU 86 -12.795 8.381 9.336 637 HD21 LEU 86 3HD2 LEU 86 -8.706 9.334 10.009 638 HD22 LEU 86 1HD2 LEU 86 -9.347 7.831 10.675 639 HD23 LEU 86 2HD2 LEU 86 -9.861 9.381 11.342 640 H VAL 87 H VAL 87 -10.236 10.513 6.776 641 HA VAL 87 HA VAL 87 -11.816 12.323 7.978 642 HB VAL 87 HB VAL 87 -11.220 13.806 5.812 643 HG11 VAL 87 1HG1 VAL 87 -9.316 12.899 7.968 644 HG12 VAL 87 2HG1 VAL 87 -10.448 14.250 8.058 645 HG13 VAL 87 3HG1 VAL 87 -9.085 14.316 6.941 646 HG21 VAL 87 3HG2 VAL 87 -9.308 11.476 5.778 647 HG22 VAL 87 1HG2 VAL 87 -9.070 12.995 4.908 648 HG23 VAL 87 2HG2 VAL 87 -10.427 11.945 4.494 649 H ASP 88 H ASP 88 -12.225 11.487 4.536 650 HA ASP 88 HA ASP 88 -14.906 12.641 4.635 651 HB2 ASP 88 2HB ASP 88 -13.137 11.829 2.328 652 HB3 ASP 88 1HB ASP 88 -14.797 12.388 2.128 653 H ASN 89 H ASN 89 -13.601 9.795 5.302 654 HA ASN 89 HA ASN 89 -14.257 7.627 5.348 655 HB2 ASN 89 2HB ASN 89 -16.116 8.737 6.558 656 HB3 ASN 89 1HB ASN 89 -17.023 8.796 5.052 657 HD21 ASN 89 1HD2 ASN 89 -18.027 6.978 4.315 658 HD22 ASN 89 2HD2 ASN 89 -18.091 5.496 5.201 659 H GLU 90 H GLU 90 -13.846 8.974 2.659 660 HA GLU 90 HA GLU 90 -15.609 7.762 0.800 661 HB2 GLU 90 2HB GLU 90 -12.770 8.726 0.413 662 HB3 GLU 90 1HB GLU 90 -13.884 8.313 -0.881 663 HG2 GLU 90 2HG GLU 90 -14.360 10.477 1.139 664 HG3 GLU 90 1HG GLU 90 -13.665 10.736 -0.457 665 H GLN 91 H GLN 91 -15.184 6.020 -0.643 666 HA GLN 91 HA GLN 91 -13.076 4.162 0.180 667 HB2 GLN 91 2HB GLN 91 -15.160 3.471 1.323 668 HB3 GLN 91 1HB GLN 91 -15.956 3.344 -0.241 669 HG2 GLN 91 2HG GLN 91 -13.449 1.820 0.100 670 HG3 GLN 91 1HG GLN 91 -14.852 1.264 1.015 671 HE21 GLN 91 1HE2 GLN 91 -16.749 2.165 -1.002 672 HE22 GLN 91 2HE2 GLN 91 -16.631 1.045 -2.313 673 H LEU 92 H LEU 92 -11.961 4.675 -1.693 674 HA LEU 92 HA LEU 92 -13.199 4.446 -4.278 675 HB2 LEU 92 2HB LEU 92 -10.272 4.640 -3.536 676 HB3 LEU 92 1HB LEU 92 -10.919 4.779 -5.158 677 HG LEU 92 HG LEU 92 -10.457 6.980 -4.485 678 HD11 LEU 92 1HD1 LEU 92 -12.632 8.074 -4.351 679 HD12 LEU 92 2HD1 LEU 92 -13.390 6.529 -3.969 680 HD13 LEU 92 3HD1 LEU 92 -12.633 6.776 -5.544 681 HD21 LEU 92 3HD2 LEU 92 -10.924 7.947 -2.398 682 HD22 LEU 92 1HD2 LEU 92 -10.276 6.348 -2.037 683 HD23 LEU 92 2HD2 LEU 92 -12.013 6.638 -1.939 684 H ASN 93 H ASN 93 -12.989 2.740 -5.736 685 HA ASN 93 HA ASN 93 -11.764 0.310 -4.610 686 HB2 ASN 93 2HB ASN 93 -13.579 -0.846 -6.116 687 HB3 ASN 93 1HB ASN 93 -13.998 -0.253 -4.513 688 HD21 ASN 93 1HD2 ASN 93 -14.292 0.261 -7.935 689 HD22 ASN 93 2HD2 ASN 93 -15.579 1.411 -7.858 690 H LEU 94 H LEU 94 -9.981 -0.074 -5.684 691 HA LEU 94 HA LEU 94 -9.823 0.374 -8.568 692 HB2 LEU 94 2HB LEU 94 -8.018 1.042 -6.820 693 HB3 LEU 94 1HB LEU 94 -7.616 -0.664 -6.799 694 HG LEU 94 HG LEU 94 -7.687 0.684 -9.443 695 HD11 LEU 94 1HD1 LEU 94 -5.374 1.465 -9.138 696 HD12 LEU 94 2HD1 LEU 94 -5.473 1.051 -7.426 697 HD13 LEU 94 3HD1 LEU 94 -6.507 2.317 -8.090 698 HD21 LEU 94 3HD2 LEU 94 -5.863 -1.352 -8.172 699 HD22 LEU 94 1HD2 LEU 94 -5.846 -0.847 -9.862 700 HD23 LEU 94 2HD2 LEU 94 -7.240 -1.710 -9.215 701 H GLU 95 H GLU 95 -11.379 -1.334 -8.951 702 HA GLU 95 HA GLU 95 -10.808 -4.026 -8.154 703 HB2 GLU 95 2HB GLU 95 -12.824 -3.091 -10.185 704 HB3 GLU 95 1HB GLU 95 -12.820 -4.614 -9.306 705 HG2 GLU 95 2HG GLU 95 -13.296 -3.520 -7.252 706 HG3 GLU 95 1HG GLU 95 -13.070 -1.930 -7.979 707 H ASP 96 H ASP 96 -11.582 -5.492 -10.311 708 HA ASP 96 HA ASP 96 -9.269 -6.239 -11.541 709 HB2 ASP 96 2HB ASP 96 -10.919 -7.062 -13.417 710 HB3 ASP 96 1HB ASP 96 -10.960 -7.776 -11.807 711 H GLU 97 H GLU 97 -11.725 -4.100 -12.984 712 HA GLU 97 HA GLU 97 -10.587 -3.622 -15.429 713 HB2 GLU 97 2HB GLU 97 -11.955 -1.578 -13.667 714 HB3 GLU 97 1HB GLU 97 -11.712 -1.429 -15.403 715 HG2 GLU 97 2HG GLU 97 -13.381 -3.511 -14.010 716 HG3 GLU 97 1HG GLU 97 -13.979 -2.115 -14.906 717 H ASP 98 H ASP 98 -9.279 -2.834 -12.409 718 HA ASP 98 HA ASP 98 -7.222 -1.171 -13.689 719 HB2 ASP 98 2HB ASP 98 -8.326 -0.843 -10.885 720 HB3 ASP 98 1HB ASP 98 -7.026 0.109 -11.600 721 H ILE 99 H ILE 99 -7.930 -3.959 -11.890 722 HA ILE 99 HA ILE 99 -5.289 -4.160 -10.673 723 HB ILE 99 HB ILE 99 -7.720 -5.943 -10.524 724 HG12 ILE 99 2HG1 ILE 99 -7.705 -3.772 -9.288 725 HG13 ILE 99 1HG1 ILE 99 -7.890 -5.190 -8.266 726 HG21 ILE 99 1HG2 ILE 99 -4.985 -6.348 -9.329 727 HG22 ILE 99 2HG2 ILE 99 -5.874 -7.436 -10.395 728 HG23 ILE 99 3HG2 ILE 99 -6.435 -7.164 -8.744 729 HD11 ILE 99 3HD1 ILE 99 -6.410 -3.612 -7.229 730 HD12 ILE 99 1HD1 ILE 99 -5.384 -3.576 -8.664 731 HD13 ILE 99 2HD1 ILE 99 -5.501 -5.047 -7.699 732 H GLU 100 H GLU 100 -7.210 -5.724 -13.196 733 HA GLU 100 HA GLU 100 -5.635 -7.891 -13.814 734 HB2 GLU 100 2HB GLU 100 -7.792 -7.433 -14.891 735 HB3 GLU 100 1HB GLU 100 -7.083 -6.075 -15.753 736 HG2 GLU 100 2HG GLU 100 -7.245 -7.934 -17.244 737 HG3 GLU 100 1HG GLU 100 -5.543 -7.651 -16.879 738 H SER 101 H SER 101 -5.300 -4.565 -15.005 739 HA SER 101 HA SER 101 -2.572 -5.239 -15.902 740 HB2 SER 101 2HB SER 101 -4.441 -3.108 -16.979 741 HB3 SER 101 1HB SER 101 -2.793 -3.401 -17.537 742 HG SER 101 HG SER 101 -3.880 -5.712 -17.715 743 H ILE 102 H ILE 102 -3.149 -4.563 -13.237 744 HA ILE 102 HA ILE 102 -2.792 -1.816 -12.685 745 HB ILE 102 HB ILE 102 -3.705 -3.388 -11.031 746 HG12 ILE 102 2HG1 ILE 102 -2.291 -2.577 -9.084 747 HG13 ILE 102 1HG1 ILE 102 -1.203 -1.873 -10.275 748 HG21 ILE 102 1HG2 ILE 102 -2.154 -4.843 -9.771 749 HG22 ILE 102 2HG2 ILE 102 -0.873 -4.438 -10.915 750 HG23 ILE 102 3HG2 ILE 102 -2.301 -5.316 -11.463 751 HD11 ILE 102 3HD1 ILE 102 -3.116 -0.545 -11.141 752 HD12 ILE 102 1HD1 ILE 102 -2.657 -0.166 -9.481 753 HD13 ILE 102 2HD1 ILE 102 -4.078 -1.159 -9.797 754 H ASP 103 H ASP 103 -1.007 -0.648 -12.133 755 HA ASP 103 HA ASP 103 1.618 -1.926 -12.278 756 HB2 ASP 103 2HB ASP 103 0.919 0.598 -13.792 757 HB3 ASP 103 1HB ASP 103 2.505 -0.158 -13.709 758 H ALA 104 H ALA 104 3.240 -0.816 -11.071 759 HA ALA 104 HA ALA 104 2.463 0.298 -8.692 760 HB1 ALA 104 1HB ALA 104 4.698 -0.501 -9.020 761 HB2 ALA 104 2HB ALA 104 4.756 1.181 -8.488 762 HB3 ALA 104 3HB ALA 104 5.029 0.783 -10.185 763 H THR 105 H THR 105 3.054 1.902 -11.747 764 HA THR 105 HA THR 105 2.929 4.570 -10.857 765 HB THR 105 HB THR 105 2.147 3.413 -13.540 766 HG1 THR 105 1HG THR 105 4.228 3.479 -13.972 767 HG21 THR 105 3HG2 THR 105 2.573 5.732 -14.350 768 HG22 THR 105 1HG2 THR 105 2.650 6.249 -12.665 769 HG23 THR 105 2HG2 THR 105 1.152 5.575 -13.314 770 H LYS 106 H LYS 106 0.442 2.386 -12.130 771 HA LYS 106 HA LYS 106 -1.709 4.169 -12.055 772 HB2 LYS 106 2HB LYS 106 -1.727 1.165 -11.709 773 HB3 LYS 106 1HB LYS 106 -3.131 2.155 -12.084 774 HG2 LYS 106 2HG LYS 106 -2.204 2.769 -14.207 775 HG3 LYS 106 1HG LYS 106 -0.688 1.949 -13.827 776 HD2 LYS 106 2HD LYS 106 -1.913 0.487 -15.240 777 HD3 LYS 106 1HD LYS 106 -2.034 -0.175 -13.610 778 HE2 LYS 106 2HE LYS 106 -4.194 -0.268 -14.689 779 HE3 LYS 106 1HE LYS 106 -4.236 0.894 -13.364 780 HZ1 LYS 106 3HZ LYS 106 -5.341 1.764 -15.319 781 HZ2 LYS 106 1HZ LYS 106 -3.937 1.562 -16.243 782 HZ3 LYS 106 2HZ LYS 106 -3.961 2.678 -14.975 783 H LEU 107 H LEU 107 -0.931 1.597 -9.678 784 HA LEU 107 HA LEU 107 -2.842 2.204 -7.790 785 HB2 LEU 107 2HB LEU 107 -0.655 0.517 -7.912 786 HB3 LEU 107 1HB LEU 107 -0.242 1.590 -6.591 787 HG LEU 107 HG LEU 107 -2.480 -0.391 -6.784 788 HD11 LEU 107 1HD1 LEU 107 -0.574 -1.249 -5.721 789 HD12 LEU 107 2HD1 LEU 107 -1.651 -0.788 -4.404 790 HD13 LEU 107 3HD1 LEU 107 -0.287 0.248 -4.834 791 HD21 LEU 107 3HD2 LEU 107 -3.637 1.632 -6.163 792 HD22 LEU 107 1HD2 LEU 107 -2.419 1.998 -4.943 793 HD23 LEU 107 2HD2 LEU 107 -3.474 0.600 -4.744 794 H SER 108 H SER 108 0.508 3.412 -7.869 795 HA SER 108 HA SER 108 0.299 5.204 -5.739 796 HB2 SER 108 2HB SER 108 2.047 5.406 -8.202 797 HB3 SER 108 1HB SER 108 2.291 6.295 -6.698 798 HG SER 108 HG SER 108 3.212 4.597 -5.888 799 H ARG 109 H ARG 109 -0.695 5.484 -9.064 800 HA ARG 109 HA ARG 109 -1.032 8.301 -9.089 801 HB2 ARG 109 2HB ARG 109 -0.785 6.895 -11.131 802 HB3 ARG 109 1HB ARG 109 -2.369 6.212 -10.816 803 HG2 ARG 109 2HG ARG 109 -2.013 9.163 -11.140 804 HG3 ARG 109 1HG ARG 109 -2.154 8.101 -12.541 805 HD2 ARG 109 2HD ARG 109 -4.268 7.205 -11.455 806 HD3 ARG 109 1HD ARG 109 -4.157 8.579 -10.350 807 HE ARG 109 HE ARG 109 -3.994 9.627 -12.897 808 HH11 ARG 109 1HH1 ARG 109 -6.298 7.783 -11.046 809 HH12 ARG 109 2HH1 ARG 109 -7.674 8.417 -11.883 810 HH21 ARG 109 1HH2 ARG 109 -5.799 10.469 -14.006 811 HH22 ARG 109 2HH2 ARG 109 -7.390 9.943 -13.567 812 H PHE 110 H PHE 110 -3.500 5.741 -9.225 813 HA PHE 110 HA PHE 110 -5.746 7.167 -8.693 814 HB2 PHE 110 2HB PHE 110 -4.928 4.392 -7.889 815 HB3 PHE 110 1HB PHE 110 -6.470 5.042 -7.336 816 HD1 PHE 110 1HD PHE 110 -4.490 4.618 -10.468 817 HD2 PHE 110 2HD PHE 110 -8.335 4.745 -8.647 818 HE1 PHE 110 1HE PHE 110 -5.522 3.996 -12.613 819 HE2 PHE 110 2HE PHE 110 -9.373 4.123 -10.789 820 HZ PHE 110 HZ PHE 110 -7.967 3.747 -12.774 821 H ILE 111 H ILE 111 -3.435 5.942 -6.300 822 HA ILE 111 HA ILE 111 -4.783 6.897 -4.020 823 HB ILE 111 HB ILE 111 -1.824 6.448 -4.463 824 HG12 ILE 111 2HG1 ILE 111 -3.833 4.742 -2.983 825 HG13 ILE 111 1HG1 ILE 111 -3.393 4.485 -4.664 826 HG21 ILE 111 1HG2 ILE 111 -3.343 6.898 -1.898 827 HG22 ILE 111 2HG2 ILE 111 -2.170 7.999 -2.627 828 HG23 ILE 111 3HG2 ILE 111 -1.647 6.428 -2.016 829 HD11 ILE 111 3HD1 ILE 111 -1.535 4.341 -2.308 830 HD12 ILE 111 1HD1 ILE 111 -1.073 4.110 -3.994 831 HD13 ILE 111 2HD1 ILE 111 -2.180 2.976 -3.220 832 H GLU 112 H GLU 112 -2.039 8.277 -5.820 833 HA GLU 112 HA GLU 112 -1.839 10.692 -4.481 834 HB2 GLU 112 2HB GLU 112 -0.263 9.809 -6.230 835 HB3 GLU 112 1HB GLU 112 -1.438 10.291 -7.451 836 HG2 GLU 112 2HG GLU 112 -1.230 12.621 -6.705 837 HG3 GLU 112 1HG GLU 112 -0.013 12.123 -5.530 838 H ILE 113 H ILE 113 -4.289 9.534 -6.525 839 HA ILE 113 HA ILE 113 -5.294 12.146 -7.267 840 HB ILE 113 HB ILE 113 -5.740 9.383 -8.128 841 HG12 ILE 113 2HG1 ILE 113 -6.040 10.470 -10.298 842 HG13 ILE 113 1HG1 ILE 113 -6.084 12.046 -9.515 843 HG21 ILE 113 1HG2 ILE 113 -7.945 9.678 -7.275 844 HG22 ILE 113 2HG2 ILE 113 -8.003 9.827 -9.029 845 HG23 ILE 113 3HG2 ILE 113 -8.075 11.272 -8.021 846 HD11 ILE 113 3HD1 ILE 113 -3.781 11.782 -8.810 847 HD12 ILE 113 1HD1 ILE 113 -3.922 11.581 -10.557 848 HD13 ILE 113 2HD1 ILE 113 -3.733 10.168 -9.517 849 H ASN 114 H ASN 114 -6.153 9.495 -5.075 850 HA ASN 114 HA ASN 114 -8.215 11.269 -3.938 851 HB2 ASN 114 2HB ASN 114 -8.344 8.272 -4.281 852 HB3 ASN 114 1HB ASN 114 -9.486 9.207 -3.319 853 HD21 ASN 114 1HD2 ASN 114 -9.468 11.476 -5.117 854 HD22 ASN 114 2HD2 ASN 114 -10.373 11.004 -6.509 855 H SER 115 H SER 115 -5.407 10.931 -3.119 856 HA SER 115 HA SER 115 -5.516 9.470 -0.631 857 HB2 SER 115 2HB SER 115 -3.218 10.245 -0.307 858 HB3 SER 115 1HB SER 115 -3.419 9.623 -1.944 859 HG SER 115 HG SER 115 -2.788 11.498 -2.613 860 H LEU 116 H LEU 116 -7.501 11.449 -0.849 861 HA LEU 116 HA LEU 116 -6.655 13.701 0.774 862 HB2 LEU 116 2HB LEU 116 -9.408 13.029 -0.247 863 HB3 LEU 116 1HB LEU 116 -8.876 14.567 0.407 864 HG LEU 116 HG LEU 116 -7.911 13.331 -2.173 865 HD11 LEU 116 1HD1 LEU 116 -9.766 15.647 -1.644 866 HD12 LEU 116 2HD1 LEU 116 -10.198 14.094 -2.357 867 HD13 LEU 116 3HD1 LEU 116 -9.128 15.195 -3.224 868 HD21 LEU 116 3HD2 LEU 116 -7.316 16.021 -0.943 869 HD22 LEU 116 1HD2 LEU 116 -6.800 15.477 -2.539 870 HD23 LEU 116 2HD2 LEU 116 -6.184 14.677 -1.093 Start of MODEL 34 1 H GLU 1 H GLU 1 10.423 -9.616 -18.221 2 HA GLU 1 HA GLU 1 7.980 -9.400 -16.800 3 HB2 GLU 1 2HB GLU 1 8.897 -11.219 -15.407 4 HB3 GLU 1 1HB GLU 1 10.306 -10.230 -15.050 5 HG2 GLU 1 2HG GLU 1 8.710 -10.220 -13.213 6 HG3 GLU 1 1HG GLU 1 8.906 -8.610 -13.907 7 H VAL 2 H VAL 2 11.311 -8.673 -15.749 8 HA VAL 2 HA VAL 2 11.277 -6.002 -16.695 9 HB VAL 2 HB VAL 2 9.668 -5.645 -14.905 10 HG11 VAL 2 1HG1 VAL 2 10.290 -7.509 -13.461 11 HG12 VAL 2 2HG1 VAL 2 10.257 -5.992 -12.561 12 HG13 VAL 2 3HG1 VAL 2 11.800 -6.694 -13.048 13 HG21 VAL 2 3HG2 VAL 2 12.374 -4.500 -14.221 14 HG22 VAL 2 1HG2 VAL 2 10.816 -3.856 -13.698 15 HG23 VAL 2 2HG2 VAL 2 11.245 -3.852 -15.410 16 H GLU 3 H GLU 3 12.560 -8.244 -14.271 17 HA GLU 3 HA GLU 3 14.667 -8.600 -13.474 18 HB2 GLU 3 2HB GLU 3 15.387 -7.722 -16.276 19 HB3 GLU 3 1HB GLU 3 16.458 -8.575 -15.175 20 HG2 GLU 3 2HG GLU 3 13.841 -9.658 -16.191 21 HG3 GLU 3 1HG GLU 3 15.419 -10.024 -16.886 22 H LYS 4 H LYS 4 14.209 -6.641 -12.107 23 HA LYS 4 HA LYS 4 16.488 -4.897 -12.202 24 HB2 LYS 4 2HB LYS 4 14.959 -3.749 -13.757 25 HB3 LYS 4 1HB LYS 4 13.727 -3.699 -12.504 26 HG2 LYS 4 2HG LYS 4 15.161 -2.278 -11.136 27 HG3 LYS 4 1HG LYS 4 16.411 -2.341 -12.380 28 HD2 LYS 4 2HD LYS 4 15.198 -0.272 -12.596 29 HD3 LYS 4 1HD LYS 4 14.812 -1.308 -13.972 30 HE2 LYS 4 2HE LYS 4 12.729 -1.983 -12.859 31 HE3 LYS 4 1HE LYS 4 13.113 -0.916 -11.509 32 HZ1 LYS 4 3HZ LYS 4 12.646 -0.071 -14.319 33 HZ2 LYS 4 1HZ LYS 4 13.047 0.964 -13.040 34 HZ3 LYS 4 2HZ LYS 4 11.572 0.136 -13.027 35 H SER 5 H SER 5 17.067 -5.405 -10.162 36 HA SER 5 HA SER 5 15.176 -4.696 -8.023 37 HB2 SER 5 2HB SER 5 16.044 -6.570 -6.671 38 HB3 SER 5 1HB SER 5 15.297 -7.141 -8.163 39 HG SER 5 HG SER 5 17.751 -6.797 -8.828 40 H SER 6 H SER 6 16.033 -3.663 -6.246 41 HA SER 6 HA SER 6 18.925 -3.183 -6.210 42 HB2 SER 6 2HB SER 6 16.827 -1.009 -6.020 43 HB3 SER 6 1HB SER 6 18.562 -0.778 -5.804 44 HG SER 6 HG SER 6 17.234 -0.662 -8.046 45 H ASP 7 H ASP 7 15.993 -2.178 -4.439 46 HA ASP 7 HA ASP 7 15.482 -2.158 -2.226 47 HB2 ASP 7 2HB ASP 7 17.304 -4.571 -2.231 48 HB3 ASP 7 1HB ASP 7 16.268 -4.107 -0.884 49 H GLY 8 H GLY 8 16.664 -0.116 -2.112 50 HA2 GLY 8 2HA GLY 8 19.362 0.021 -1.255 51 HA3 GLY 8 1HA GLY 8 18.180 1.317 -1.147 52 HA PRO 9 HA PRO 9 17.850 0.965 3.230 53 HB2 PRO 9 2HB PRO 9 14.942 0.420 3.068 54 HB3 PRO 9 1HB PRO 9 15.797 1.736 3.880 55 HG2 PRO 9 2HG PRO 9 14.430 2.165 1.625 56 HG3 PRO 9 1HG PRO 9 15.960 3.001 1.948 57 HD2 PRO 9 2HD PRO 9 15.415 0.668 0.155 58 HD3 PRO 9 1HD PRO 9 16.491 2.058 -0.098 59 H GLY 10 H GLY 10 18.064 -0.590 4.773 60 HA2 GLY 10 2HA GLY 10 17.594 -3.338 3.936 61 HA3 GLY 10 1HA GLY 10 18.508 -2.818 5.343 62 H ALA 11 H ALA 11 15.162 -2.183 4.291 63 HA ALA 11 HA ALA 11 14.039 -3.829 6.345 64 HB1 ALA 11 1HB ALA 11 13.089 -2.151 7.745 65 HB2 ALA 11 2HB ALA 11 13.661 -0.861 6.689 66 HB3 ALA 11 3HB ALA 11 14.815 -1.814 7.621 67 H ALA 12 H ALA 12 12.922 -0.739 5.011 68 HA ALA 12 HA ALA 12 11.161 -0.179 3.692 69 HB1 ALA 12 1HB ALA 12 10.835 -1.386 1.716 70 HB2 ALA 12 2HB ALA 12 11.300 -2.913 2.465 71 HB3 ALA 12 3HB ALA 12 12.523 -1.683 2.140 72 H GLN 13 H GLN 13 9.348 0.064 4.814 73 HA GLN 13 HA GLN 13 8.066 -1.868 6.367 74 HB2 GLN 13 2HB GLN 13 6.125 -0.304 6.328 75 HB3 GLN 13 1HB GLN 13 7.650 0.466 6.745 76 HG2 GLN 13 2HG GLN 13 7.848 1.320 4.468 77 HG3 GLN 13 1HG GLN 13 6.328 0.532 4.041 78 HE21 GLN 13 1HE2 GLN 13 6.897 2.072 7.125 79 HE22 GLN 13 2HE2 GLN 13 5.810 3.393 6.887 80 H GLU 14 H GLU 14 5.824 -2.664 6.063 81 HA GLU 14 HA GLU 14 5.160 -3.267 3.265 82 HB2 GLU 14 2HB GLU 14 4.795 -5.593 3.751 83 HB3 GLU 14 1HB GLU 14 6.414 -5.178 4.299 84 HG2 GLU 14 2HG GLU 14 5.604 -5.021 6.591 85 HG3 GLU 14 1HG GLU 14 3.974 -5.414 6.045 86 HA PRO 15 HA PRO 15 1.014 -2.296 4.409 87 HB2 PRO 15 2HB PRO 15 -0.469 -4.159 3.081 88 HB3 PRO 15 1HB PRO 15 0.302 -2.776 2.294 89 HG2 PRO 15 2HG PRO 15 1.209 -5.616 2.449 90 HG3 PRO 15 1HG PRO 15 1.262 -4.492 1.081 91 HD2 PRO 15 2HD PRO 15 3.433 -5.055 2.600 92 HD3 PRO 15 1HD PRO 15 3.184 -3.475 1.828 93 H THR 16 H THR 16 -0.528 -2.731 5.912 94 HA THR 16 HA THR 16 -0.009 -4.667 7.885 95 HB THR 16 HB THR 16 -2.605 -3.189 7.415 96 HG1 THR 16 1HG THR 16 -1.585 -1.792 9.098 97 HG21 THR 16 3HG2 THR 16 -2.832 -5.034 8.985 98 HG22 THR 16 1HG2 THR 16 -2.905 -3.495 9.843 99 HG23 THR 16 2HG2 THR 16 -1.430 -4.462 9.888 100 H TRP 17 H TRP 17 -1.085 -6.537 8.474 101 HA TRP 17 HA TRP 17 -2.338 -7.966 6.261 102 HB2 TRP 17 2HB TRP 17 -1.378 -8.926 8.964 103 HB3 TRP 17 1HB TRP 17 -2.026 -9.963 7.697 104 HD1 TRP 17 HD TRP 17 1.140 -8.303 8.843 105 HE1 TRP 17 1HE TRP 17 3.059 -8.885 7.231 106 HE3 TRP 17 3HE TRP 17 -1.580 -10.449 5.082 107 HZ2 TRP 17 2HZ TRP 17 3.381 -10.096 4.704 108 HZ3 TRP 17 3HZ TRP 17 -0.389 -11.295 3.102 109 HH2 TRP 17 HH TRP 17 2.041 -11.121 2.917 110 H LEU 18 H LEU 18 -4.368 -6.886 6.312 111 HA LEU 18 HA LEU 18 -6.005 -7.005 8.694 112 HB2 LEU 18 2HB LEU 18 -6.801 -6.243 5.886 113 HB3 LEU 18 1HB LEU 18 -7.679 -5.889 7.363 114 HG LEU 18 HG LEU 18 -4.959 -4.786 6.669 115 HD11 LEU 18 1HD1 LEU 18 -6.189 -2.643 6.418 116 HD12 LEU 18 2HD1 LEU 18 -7.695 -3.556 6.497 117 HD13 LEU 18 3HD1 LEU 18 -6.560 -3.840 5.180 118 HD21 LEU 18 3HD2 LEU 18 -6.830 -4.279 8.970 119 HD22 LEU 18 1HD2 LEU 18 -5.466 -3.236 8.566 120 HD23 LEU 18 2HD2 LEU 18 -5.186 -4.912 9.033 121 H THR 19 H THR 19 -5.851 -9.362 8.894 122 HA THR 19 HA THR 19 -7.079 -11.049 6.932 123 HB THR 19 HB THR 19 -6.785 -12.854 8.544 124 HG1 THR 19 1HG THR 19 -5.868 -12.304 10.622 125 HG21 THR 19 3HG2 THR 19 -4.403 -10.995 8.498 126 HG22 THR 19 1HG2 THR 19 -4.836 -12.148 7.236 127 HG23 THR 19 2HG2 THR 19 -4.358 -12.726 8.832 128 H ASP 20 H ASP 20 -8.404 -8.921 9.109 129 HA ASP 20 HA ASP 20 -10.949 -10.369 9.024 130 HB2 ASP 20 2HB ASP 20 -9.726 -9.166 11.513 131 HB3 ASP 20 1HB ASP 20 -11.411 -9.663 11.386 132 H VAL 21 H VAL 21 -12.787 -9.108 9.002 133 HA VAL 21 HA VAL 21 -12.652 -6.656 7.703 134 HB VAL 21 HB VAL 21 -14.944 -7.640 9.408 135 HG11 VAL 21 1HG1 VAL 21 -15.180 -5.308 8.800 136 HG12 VAL 21 2HG1 VAL 21 -16.327 -6.288 7.885 137 HG13 VAL 21 3HG1 VAL 21 -14.859 -5.691 7.108 138 HG21 VAL 21 3HG2 VAL 21 -15.814 -8.641 7.354 139 HG22 VAL 21 1HG2 VAL 21 -14.252 -9.334 7.793 140 HG23 VAL 21 2HG2 VAL 21 -14.357 -8.147 6.492 141 HA PRO 22 HA PRO 22 -13.629 -4.551 12.036 142 HB2 PRO 22 2HB PRO 22 -12.399 -5.896 14.118 143 HB3 PRO 22 1HB PRO 22 -14.123 -5.976 13.746 144 HG2 PRO 22 2HG PRO 22 -11.933 -7.875 13.012 145 HG3 PRO 22 1HG PRO 22 -13.584 -8.226 13.562 146 HD2 PRO 22 2HD PRO 22 -12.927 -8.421 10.984 147 HD3 PRO 22 1HD PRO 22 -14.507 -7.771 11.473 148 H ALA 23 H ALA 23 -10.661 -6.519 11.832 149 HA ALA 23 HA ALA 23 -8.945 -4.539 12.871 150 HB1 ALA 23 1HB ALA 23 -7.131 -5.906 12.123 151 HB2 ALA 23 2HB ALA 23 -8.166 -6.742 10.964 152 HB3 ALA 23 3HB ALA 23 -8.408 -6.981 12.696 153 H ALA 24 H ALA 24 -10.072 -5.302 9.672 154 HA ALA 24 HA ALA 24 -8.320 -3.654 8.201 155 HB1 ALA 24 1HB ALA 24 -11.140 -4.535 7.555 156 HB2 ALA 24 2HB ALA 24 -9.653 -5.379 7.118 157 HB3 ALA 24 3HB ALA 24 -10.016 -3.802 6.410 158 H MET 25 H MET 25 -11.708 -3.106 9.142 159 HA MET 25 HA MET 25 -11.842 -0.417 8.389 160 HB2 MET 25 2HB MET 25 -13.426 -1.793 10.563 161 HB3 MET 25 1HB MET 25 -13.877 -0.319 9.717 162 HG2 MET 25 2HG MET 25 -13.948 -1.634 7.605 163 HG3 MET 25 1HG MET 25 -13.669 -3.087 8.560 164 HE1 MET 25 3HE MET 25 -15.346 -2.507 11.193 165 HE2 MET 25 1HE MET 25 -15.367 -4.048 10.334 166 HE3 MET 25 2HE MET 25 -16.884 -3.262 10.771 167 H GLU 26 H GLU 26 -10.549 -1.929 11.254 168 HA GLU 26 HA GLU 26 -10.588 0.403 12.894 169 HB2 GLU 26 2HB GLU 26 -9.230 -2.257 13.037 170 HB3 GLU 26 1HB GLU 26 -8.667 -0.957 14.081 171 HG2 GLU 26 2HG GLU 26 -11.091 -0.703 14.801 172 HG3 GLU 26 1HG GLU 26 -11.365 -2.256 14.008 173 H PHE 27 H PHE 27 -8.024 -1.193 11.008 174 HA PHE 27 HA PHE 27 -6.041 0.713 11.522 175 HB2 PHE 27 2HB PHE 27 -6.445 -1.419 9.494 176 HB3 PHE 27 1HB PHE 27 -5.270 -0.166 9.105 177 HD1 PHE 27 2HD PHE 27 -6.112 -2.860 11.467 178 HD2 PHE 27 1HD PHE 27 -3.187 -0.023 10.242 179 HE1 PHE 27 2HE PHE 27 -4.438 -3.989 12.868 180 HE2 PHE 27 1HE PHE 27 -1.505 -1.148 11.642 181 HZ PHE 27 HZ PHE 27 -2.129 -3.136 12.957 182 H ILE 28 H ILE 28 -8.679 0.621 9.244 183 HA ILE 28 HA ILE 28 -7.813 2.874 7.700 184 HB ILE 28 HB ILE 28 -10.443 1.432 7.963 185 HG12 ILE 28 2HG1 ILE 28 -8.728 1.861 5.517 186 HG13 ILE 28 1HG1 ILE 28 -8.461 0.521 6.630 187 HG21 ILE 28 1HG2 ILE 28 -11.069 3.723 7.643 188 HG22 ILE 28 2HG2 ILE 28 -11.280 2.873 6.115 189 HG23 ILE 28 3HG2 ILE 28 -9.882 3.916 6.356 190 HD11 ILE 28 3HD1 ILE 28 -10.485 -0.491 6.077 191 HD12 ILE 28 1HD1 ILE 28 -9.857 0.097 4.537 192 HD13 ILE 28 2HD1 ILE 28 -11.134 0.989 5.366 193 H ALA 29 H ALA 29 -9.927 2.372 10.470 194 HA ALA 29 HA ALA 29 -10.859 5.065 10.601 195 HB1 ALA 29 1HB ALA 29 -11.735 4.403 12.817 196 HB2 ALA 29 2HB ALA 29 -10.909 2.850 12.653 197 HB3 ALA 29 3HB ALA 29 -12.200 3.288 11.533 198 H ALA 30 H ALA 30 -8.009 3.458 11.602 199 HA ALA 30 HA ALA 30 -7.341 5.491 13.590 200 HB1 ALA 30 1HB ALA 30 -6.863 3.144 14.107 201 HB2 ALA 30 2HB ALA 30 -5.390 4.116 14.068 202 HB3 ALA 30 3HB ALA 30 -5.786 3.061 12.711 203 H THR 31 H THR 31 -7.592 6.173 10.763 204 HA THR 31 HA THR 31 -5.234 7.743 10.488 205 HB THR 31 HB THR 31 -4.279 5.628 9.723 206 HG1 THR 31 1HG THR 31 -3.762 7.677 8.642 207 HG21 THR 31 3HG2 THR 31 -6.137 5.604 7.383 208 HG22 THR 31 1HG2 THR 31 -6.631 4.854 8.902 209 HG23 THR 31 2HG2 THR 31 -5.182 4.293 8.074 210 H GLU 32 H GLU 32 -5.340 9.212 8.719 211 HA GLU 32 HA GLU 32 -7.998 9.995 8.012 212 HB2 GLU 32 2HB GLU 32 -5.905 11.463 8.386 213 HB3 GLU 32 1HB GLU 32 -5.481 11.044 6.731 214 HG2 GLU 32 2HG GLU 32 -7.517 12.031 5.914 215 HG3 GLU 32 1HG GLU 32 -8.059 12.346 7.563 216 H VAL 33 H VAL 33 -5.273 8.580 6.233 217 HA VAL 33 HA VAL 33 -7.159 7.828 4.098 218 HB VAL 33 HB VAL 33 -4.265 8.535 3.615 219 HG11 VAL 33 1HG1 VAL 33 -5.138 7.023 1.966 220 HG12 VAL 33 2HG1 VAL 33 -5.009 8.630 1.248 221 HG13 VAL 33 3HG1 VAL 33 -6.586 8.015 1.760 222 HG21 VAL 33 3HG2 VAL 33 -5.360 10.549 4.307 223 HG22 VAL 33 1HG2 VAL 33 -6.745 10.209 3.267 224 HG23 VAL 33 2HG2 VAL 33 -5.179 10.600 2.552 225 H ALA 34 H ALA 34 -7.041 5.742 3.398 226 HA ALA 34 HA ALA 34 -4.815 4.079 4.310 227 HB1 ALA 34 1HB ALA 34 -6.399 3.782 6.064 228 HB2 ALA 34 2HB ALA 34 -6.444 2.330 5.059 229 HB3 ALA 34 3HB ALA 34 -7.715 3.545 4.913 230 H VAL 35 H VAL 35 -4.139 2.717 2.815 231 HA VAL 35 HA VAL 35 -5.955 2.063 0.593 232 HB VAL 35 HB VAL 35 -2.982 2.544 0.560 233 HG11 VAL 35 1HG1 VAL 35 -4.692 1.290 -1.593 234 HG12 VAL 35 2HG1 VAL 35 -3.376 0.512 -0.714 235 HG13 VAL 35 3HG1 VAL 35 -3.032 1.850 -1.810 236 HG21 VAL 35 3HG2 VAL 35 -5.334 3.718 -0.907 237 HG22 VAL 35 1HG2 VAL 35 -3.645 4.125 -1.232 238 HG23 VAL 35 2HG2 VAL 35 -4.358 4.504 0.338 239 H ILE 36 H ILE 36 -6.365 -0.009 0.256 240 HA ILE 36 HA ILE 36 -4.624 -1.998 1.536 241 HB ILE 36 HB ILE 36 -7.630 -1.902 1.734 242 HG12 ILE 36 2HG1 ILE 36 -5.742 -1.953 4.051 243 HG13 ILE 36 1HG1 ILE 36 -5.988 -0.440 3.194 244 HG21 ILE 36 1HG2 ILE 36 -5.649 -3.990 2.639 245 HG22 ILE 36 2HG2 ILE 36 -7.000 -4.192 1.522 246 HG23 ILE 36 3HG2 ILE 36 -7.309 -3.889 3.232 247 HD11 ILE 36 3HD1 ILE 36 -8.043 -2.091 4.618 248 HD12 ILE 36 1HD1 ILE 36 -8.424 -0.699 3.604 249 HD13 ILE 36 2HD1 ILE 36 -7.443 -0.490 5.056 250 H GLY 37 H GLY 37 -4.247 -3.806 0.434 251 HA2 GLY 37 2HA GLY 37 -5.469 -4.038 -2.218 252 HA3 GLY 37 1HA GLY 37 -3.959 -4.775 -1.719 253 H PHE 38 H PHE 38 -7.393 -5.101 -1.865 254 HA PHE 38 HA PHE 38 -7.490 -7.532 -0.291 255 HB2 PHE 38 2HB PHE 38 -9.619 -6.359 -2.091 256 HB3 PHE 38 1HB PHE 38 -9.846 -7.559 -0.823 257 HD1 PHE 38 1HD PHE 38 -8.708 -4.062 -1.356 258 HD2 PHE 38 2HD PHE 38 -10.442 -6.888 1.308 259 HE1 PHE 38 1HE PHE 38 -9.142 -2.267 0.263 260 HE2 PHE 38 2HE PHE 38 -10.880 -5.090 2.930 261 HZ PHE 38 HZ PHE 38 -10.231 -2.777 2.408 262 H PHE 39 H PHE 39 -6.089 -8.924 -1.342 263 HA PHE 39 HA PHE 39 -6.773 -9.649 -4.106 264 HB2 PHE 39 2HB PHE 39 -4.236 -10.304 -2.618 265 HB3 PHE 39 1HB PHE 39 -4.530 -10.450 -4.349 266 HD1 PHE 39 2HD PHE 39 -5.713 -7.934 -5.093 267 HD2 PHE 39 1HD PHE 39 -2.609 -8.713 -2.289 268 HE1 PHE 39 2HE PHE 39 -4.846 -5.661 -5.430 269 HE2 PHE 39 1HE PHE 39 -1.738 -6.437 -2.619 270 HZ PHE 39 HZ PHE 39 -2.854 -4.909 -4.193 271 H GLN 40 H GLN 40 -7.309 -11.687 -4.665 272 HA GLN 40 HA GLN 40 -7.901 -13.564 -2.531 273 HB2 GLN 40 2HB GLN 40 -8.321 -13.798 -5.523 274 HB3 GLN 40 1HB GLN 40 -8.941 -14.912 -4.312 275 HG2 GLN 40 2HG GLN 40 -10.315 -13.134 -3.367 276 HG3 GLN 40 1HG GLN 40 -9.687 -12.008 -4.569 277 HE21 GLN 40 1HE2 GLN 40 -10.334 -12.206 -6.715 278 HE22 GLN 40 2HE2 GLN 40 -11.720 -13.129 -7.175 279 H ASP 41 H ASP 41 -5.304 -12.743 -4.327 280 HA ASP 41 HA ASP 41 -3.876 -15.182 -3.716 281 HB2 ASP 41 2HB ASP 41 -4.862 -15.566 -5.996 282 HB3 ASP 41 1HB ASP 41 -3.971 -14.157 -6.569 283 H LEU 42 H LEU 42 -1.981 -14.542 -2.870 284 HA LEU 42 HA LEU 42 -1.097 -11.816 -3.376 285 HB2 LEU 42 2HB LEU 42 -0.116 -13.864 -1.392 286 HB3 LEU 42 1HB LEU 42 0.500 -12.226 -1.528 287 HG LEU 42 HG LEU 42 -2.329 -12.977 -0.796 288 HD11 LEU 42 1HD1 LEU 42 -1.732 -12.110 1.420 289 HD12 LEU 42 2HD1 LEU 42 -0.067 -11.898 0.881 290 HD13 LEU 42 3HD1 LEU 42 -0.763 -13.515 0.978 291 HD21 LEU 42 3HD2 LEU 42 -2.293 -10.877 -1.981 292 HD22 LEU 42 1HD2 LEU 42 -0.957 -10.297 -0.986 293 HD23 LEU 42 2HD2 LEU 42 -2.542 -10.567 -0.263 294 H GLU 43 H GLU 43 -0.806 -13.279 -5.595 295 HA GLU 43 HA GLU 43 2.105 -13.383 -5.870 296 HB2 GLU 43 2HB GLU 43 0.207 -15.488 -6.924 297 HB3 GLU 43 1HB GLU 43 1.915 -15.385 -7.321 298 HG2 GLU 43 2HG GLU 43 2.493 -15.756 -4.997 299 HG3 GLU 43 1HG GLU 43 0.783 -15.820 -4.571 300 H ILE 44 H ILE 44 -0.523 -11.847 -6.661 301 HA ILE 44 HA ILE 44 -0.149 -11.700 -9.550 302 HB ILE 44 HB ILE 44 -2.027 -9.925 -9.277 303 HG12 ILE 44 2HG1 ILE 44 -2.815 -11.450 -6.867 304 HG13 ILE 44 1HG1 ILE 44 -1.574 -10.223 -6.656 305 HG21 ILE 44 1HG2 ILE 44 -2.741 -12.783 -8.639 306 HG22 ILE 44 2HG2 ILE 44 -2.191 -12.259 -10.234 307 HG23 ILE 44 3HG2 ILE 44 -3.681 -11.603 -9.555 308 HD11 ILE 44 3HD1 ILE 44 -3.592 -9.158 -6.185 309 HD12 ILE 44 1HD1 ILE 44 -4.398 -9.886 -7.573 310 HD13 ILE 44 2HD1 ILE 44 -3.176 -8.641 -7.818 311 HA PRO 45 HA PRO 45 2.398 -8.110 -9.857 312 HB2 PRO 45 2HB PRO 45 0.105 -6.914 -11.366 313 HB3 PRO 45 1HB PRO 45 1.819 -6.955 -11.788 314 HG2 PRO 45 2HG PRO 45 0.135 -8.625 -12.963 315 HG3 PRO 45 1HG PRO 45 1.734 -9.193 -12.444 316 HD2 PRO 45 2HD PRO 45 -0.938 -9.677 -11.211 317 HD3 PRO 45 1HD PRO 45 0.476 -10.744 -11.299 318 H ALA 46 H ALA 46 -0.966 -7.668 -8.937 319 HA ALA 46 HA ALA 46 -0.823 -5.000 -8.088 320 HB1 ALA 46 1HB ALA 46 -2.628 -7.105 -6.935 321 HB2 ALA 46 2HB ALA 46 -2.897 -6.340 -8.499 322 HB3 ALA 46 3HB ALA 46 -2.915 -5.366 -7.026 323 H VAL 47 H VAL 47 -0.071 -8.001 -6.377 324 HA VAL 47 HA VAL 47 0.021 -6.879 -3.799 325 HB VAL 47 HB VAL 47 1.763 -9.199 -4.567 326 HG11 VAL 47 1HG1 VAL 47 0.203 -8.492 -2.082 327 HG12 VAL 47 2HG1 VAL 47 1.951 -8.384 -2.293 328 HG13 VAL 47 3HG1 VAL 47 1.158 -9.959 -2.303 329 HG21 VAL 47 3HG2 VAL 47 -0.061 -10.698 -4.476 330 HG22 VAL 47 1HG2 VAL 47 -0.554 -9.410 -5.574 331 HG23 VAL 47 2HG2 VAL 47 -1.165 -9.443 -3.920 332 HA PRO 48 HA PRO 48 4.849 -6.439 -4.408 333 HB2 PRO 48 2HB PRO 48 5.006 -6.220 -7.359 334 HB3 PRO 48 1HB PRO 48 6.094 -7.041 -6.232 335 HG2 PRO 48 2HG PRO 48 4.451 -8.429 -7.811 336 HG3 PRO 48 1HG PRO 48 4.777 -8.946 -6.145 337 HD2 PRO 48 2HD PRO 48 2.386 -7.537 -7.258 338 HD3 PRO 48 1HD PRO 48 2.468 -8.836 -6.058 339 H ILE 49 H ILE 49 2.676 -5.079 -6.824 340 HA ILE 49 HA ILE 49 3.884 -2.543 -7.009 341 HB ILE 49 HB ILE 49 1.241 -3.676 -7.771 342 HG12 ILE 49 2HG1 ILE 49 2.999 -2.017 -9.510 343 HG13 ILE 49 1HG1 ILE 49 3.547 -3.626 -9.057 344 HG21 ILE 49 1HG2 ILE 49 1.824 -0.773 -7.460 345 HG22 ILE 49 2HG2 ILE 49 0.356 -1.672 -7.073 346 HG23 ILE 49 3HG2 ILE 49 0.765 -1.331 -8.754 347 HD11 ILE 49 3HD1 ILE 49 1.793 -4.664 -10.171 348 HD12 ILE 49 1HD1 ILE 49 2.278 -3.358 -11.251 349 HD13 ILE 49 2HD1 ILE 49 0.837 -3.181 -10.246 350 H LEU 50 H LEU 50 1.405 -3.855 -4.865 351 HA LEU 50 HA LEU 50 0.776 -1.344 -3.657 352 HB2 LEU 50 2HB LEU 50 -0.853 -3.098 -3.548 353 HB3 LEU 50 1HB LEU 50 0.290 -4.185 -2.786 354 HG LEU 50 HG LEU 50 0.321 -2.619 -0.811 355 HD11 LEU 50 1HD1 LEU 50 -1.485 -1.030 -0.565 356 HD12 LEU 50 2HD1 LEU 50 -2.092 -1.434 -2.172 357 HD13 LEU 50 3HD1 LEU 50 -0.528 -0.639 -1.995 358 HD21 LEU 50 3HD2 LEU 50 -1.558 -3.589 0.182 359 HD22 LEU 50 1HD2 LEU 50 -1.081 -4.745 -1.061 360 HD23 LEU 50 2HD2 LEU 50 -2.448 -3.659 -1.343 361 H HIS 51 H HIS 51 2.673 -4.159 -2.563 362 HA HIS 51 HA HIS 51 3.653 -3.092 -0.198 363 HB2 HIS 51 2HB HIS 51 4.966 -4.995 -2.149 364 HB3 HIS 51 1HB HIS 51 5.630 -4.621 -0.562 365 HD1 HIS 51 1HD HIS 51 5.310 -6.780 0.643 366 HD2 HIS 51 2HD HIS 51 1.853 -5.536 -1.296 367 HE1 HIS 51 1HE HIS 51 3.518 -8.389 1.367 368 HE2 HIS 51 2HE HIS 51 1.432 -7.613 0.185 369 H SER 52 H SER 52 4.377 -2.300 -3.458 370 HA SER 52 HA SER 52 6.872 -0.960 -2.849 371 HB2 SER 52 2HB SER 52 6.611 -2.071 -5.020 372 HB3 SER 52 1HB SER 52 5.238 -1.031 -5.400 373 HG SER 52 HG SER 52 6.977 -0.086 -6.348 374 H MET 53 H MET 53 3.554 -0.052 -3.762 375 HA MET 53 HA MET 53 3.964 2.723 -3.805 376 HB2 MET 53 2HB MET 53 1.662 2.950 -3.953 377 HB3 MET 53 1HB MET 53 1.901 1.321 -4.562 378 HG2 MET 53 2HG MET 53 0.101 1.077 -3.153 379 HG3 MET 53 1HG MET 53 1.452 0.592 -2.135 380 HE1 MET 53 3HE MET 53 0.396 0.907 0.170 381 HE2 MET 53 1HE MET 53 -1.150 1.166 -0.640 382 HE3 MET 53 2HE MET 53 -0.621 2.276 0.623 383 H VAL 54 H VAL 54 3.634 0.447 -1.253 384 HA VAL 54 HA VAL 54 2.791 1.973 0.888 385 HB VAL 54 HB VAL 54 4.818 -0.252 0.806 386 HG11 VAL 54 1HG1 VAL 54 4.478 -0.479 3.218 387 HG12 VAL 54 2HG1 VAL 54 3.479 0.974 3.204 388 HG13 VAL 54 3HG1 VAL 54 5.193 1.080 2.800 389 HG21 VAL 54 3HG2 VAL 54 1.865 -0.109 1.221 390 HG22 VAL 54 1HG2 VAL 54 2.803 -1.423 1.932 391 HG23 VAL 54 2HG2 VAL 54 2.803 -1.186 0.185 392 H GLN 55 H GLN 55 6.107 1.509 -0.297 393 HA GLN 55 HA GLN 55 7.222 3.332 1.597 394 HB2 GLN 55 2HB GLN 55 8.536 2.440 -0.949 395 HB3 GLN 55 1HB GLN 55 9.283 2.894 0.577 396 HG2 GLN 55 2HG GLN 55 8.462 0.881 1.622 397 HG3 GLN 55 1HG GLN 55 7.604 0.437 0.145 398 HE21 GLN 55 1HE2 GLN 55 8.701 -1.492 -0.090 399 HE22 GLN 55 2HE2 GLN 55 10.364 -1.569 -0.554 400 H LYS 56 H LYS 56 5.456 3.734 -1.203 401 HA LYS 56 HA LYS 56 6.733 6.250 -1.966 402 HB2 LYS 56 2HB LYS 56 4.389 4.799 -3.206 403 HB3 LYS 56 1HB LYS 56 5.181 6.223 -3.862 404 HG2 LYS 56 2HG LYS 56 7.234 4.962 -4.170 405 HG3 LYS 56 1HG LYS 56 6.471 3.530 -3.473 406 HD2 LYS 56 2HD LYS 56 6.360 3.250 -5.816 407 HD3 LYS 56 1HD LYS 56 4.740 3.734 -5.312 408 HE2 LYS 56 2HE LYS 56 5.246 4.996 -7.252 409 HE3 LYS 56 1HE LYS 56 5.391 6.097 -5.882 410 HZ1 LYS 56 3HZ LYS 56 7.793 5.771 -5.935 411 HZ2 LYS 56 1HZ LYS 56 7.225 6.380 -7.409 412 HZ3 LYS 56 2HZ LYS 56 7.641 4.747 -7.272 413 H PHE 57 H PHE 57 4.117 5.014 -0.157 414 HA PHE 57 HA PHE 57 3.109 7.737 0.276 415 HB2 PHE 57 2HB PHE 57 1.527 5.277 -0.398 416 HB3 PHE 57 1HB PHE 57 0.798 6.623 0.473 417 HD1 PHE 57 2HD PHE 57 2.307 5.564 -2.701 418 HD2 PHE 57 1HD PHE 57 0.266 8.668 -0.627 419 HE1 PHE 57 2HE PHE 57 1.883 6.708 -4.837 420 HE2 PHE 57 1HE PHE 57 -0.162 9.819 -2.760 421 HZ PHE 57 HZ PHE 57 0.648 8.838 -4.868 422 HA PRO 58 HA PRO 58 4.236 5.310 4.222 423 HB2 PRO 58 2HB PRO 58 5.344 7.621 5.324 424 HB3 PRO 58 1HB PRO 58 6.253 6.306 4.572 425 HG2 PRO 58 2HG PRO 58 5.359 8.908 3.398 426 HG3 PRO 58 1HG PRO 58 6.900 8.051 3.186 427 HD2 PRO 58 2HD PRO 58 5.055 7.969 1.278 428 HD3 PRO 58 1HD PRO 58 5.969 6.505 1.697 429 H GLY 59 H GLY 59 3.064 8.619 3.659 430 HA2 GLY 59 2HA GLY 59 1.722 8.988 6.089 431 HA3 GLY 59 1HA GLY 59 1.308 9.784 4.576 432 H VAL 60 H VAL 60 0.654 7.539 3.056 433 HA VAL 60 HA VAL 60 -2.037 7.090 3.832 434 HB VAL 60 HB VAL 60 -0.261 5.971 1.676 435 HG11 VAL 60 1HG1 VAL 60 -2.161 4.701 0.788 436 HG12 VAL 60 2HG1 VAL 60 -3.108 5.116 2.218 437 HG13 VAL 60 3HG1 VAL 60 -1.674 4.100 2.374 438 HG21 VAL 60 3HG2 VAL 60 -2.733 7.691 1.727 439 HG22 VAL 60 1HG2 VAL 60 -2.017 7.046 0.248 440 HG23 VAL 60 2HG2 VAL 60 -1.096 8.160 1.261 441 H SER 61 H SER 61 -3.021 5.224 4.659 442 HA SER 61 HA SER 61 -1.292 3.604 6.306 443 HB2 SER 61 2HB SER 61 -3.433 4.405 7.197 444 HB3 SER 61 1HB SER 61 -4.293 3.500 5.954 445 HG SER 61 HG SER 61 -3.207 1.600 6.870 446 H PHE 62 H PHE 62 -0.128 2.236 5.070 447 HA PHE 62 HA PHE 62 -1.072 0.789 2.858 448 HB2 PHE 62 2HB PHE 62 0.943 -0.744 3.480 449 HB3 PHE 62 1HB PHE 62 1.246 0.917 2.971 450 HD1 PHE 62 2HD PHE 62 1.079 -1.331 5.892 451 HD2 PHE 62 1HD PHE 62 2.210 2.507 4.444 452 HE1 PHE 62 2HE PHE 62 2.297 -0.906 7.985 453 HE2 PHE 62 1HE PHE 62 3.430 2.940 6.535 454 HZ PHE 62 HZ PHE 62 3.475 1.232 8.310 455 H GLY 63 H GLY 63 -2.244 -1.005 2.683 456 HA2 GLY 63 2HA GLY 63 -2.379 -2.881 4.917 457 HA3 GLY 63 1HA GLY 63 -3.886 -2.128 4.414 458 H ILE 64 H ILE 64 -3.483 -4.881 4.364 459 HA ILE 64 HA ILE 64 -4.119 -5.419 1.623 460 HB ILE 64 HB ILE 64 -1.509 -5.482 1.942 461 HG12 ILE 64 2HG1 ILE 64 -3.001 -7.674 0.496 462 HG13 ILE 64 1HG1 ILE 64 -2.731 -6.047 -0.115 463 HG21 ILE 64 1HG2 ILE 64 -1.476 -6.992 3.840 464 HG22 ILE 64 2HG2 ILE 64 -0.663 -7.720 2.454 465 HG23 ILE 64 3HG2 ILE 64 -2.293 -8.231 2.888 466 HD11 ILE 64 3HD1 ILE 64 -0.649 -8.149 0.428 467 HD12 ILE 64 1HD1 ILE 64 -0.291 -6.479 -0.019 468 HD13 ILE 64 2HD1 ILE 64 -1.162 -7.526 -1.140 469 H SER 65 H SER 65 -5.286 -7.308 1.388 470 HA SER 65 HA SER 65 -5.510 -9.098 3.679 471 HB2 SER 65 2HB SER 65 -7.185 -7.394 4.159 472 HB3 SER 65 1HB SER 65 -7.876 -7.588 2.548 473 HG SER 65 HG SER 65 -9.112 -8.826 3.872 474 H THR 66 H THR 66 -6.682 -11.050 3.230 475 HA THR 66 HA THR 66 -7.155 -11.646 0.405 476 HB THR 66 HB THR 66 -5.924 -13.773 0.573 477 HG1 THR 66 1HG THR 66 -5.729 -14.281 2.671 478 HG21 THR 66 3HG2 THR 66 -3.719 -12.875 0.351 479 HG22 THR 66 1HG2 THR 66 -4.151 -11.444 1.286 480 HG23 THR 66 2HG2 THR 66 -4.853 -11.700 -0.311 481 H ASP 67 H ASP 67 -8.051 -11.831 3.611 482 HA ASP 67 HA ASP 67 -9.347 -14.332 3.737 483 HB2 ASP 67 2HB ASP 67 -8.800 -12.895 5.708 484 HB3 ASP 67 1HB ASP 67 -10.096 -11.805 5.220 485 H SER 68 H SER 68 -11.434 -14.946 3.337 486 HA SER 68 HA SER 68 -12.756 -13.712 1.183 487 HB2 SER 68 2HB SER 68 -13.790 -15.781 3.137 488 HB3 SER 68 1HB SER 68 -14.544 -15.365 1.598 489 HG SER 68 HG SER 68 -13.062 -17.248 1.650 490 H GLU 69 H GLU 69 -13.552 -13.812 4.654 491 HA GLU 69 HA GLU 69 -15.978 -12.503 4.603 492 HB2 GLU 69 2HB GLU 69 -13.855 -12.128 6.712 493 HB3 GLU 69 1HB GLU 69 -15.586 -11.881 6.899 494 HG2 GLU 69 2HG GLU 69 -15.944 -14.281 6.468 495 HG3 GLU 69 1HG GLU 69 -14.195 -14.499 6.393 496 H VAL 70 H VAL 70 -12.742 -11.037 4.750 497 HA VAL 70 HA VAL 70 -13.738 -8.378 4.813 498 HB VAL 70 HB VAL 70 -11.007 -9.432 4.072 499 HG11 VAL 70 1HG1 VAL 70 -11.258 -7.308 2.996 500 HG12 VAL 70 2HG1 VAL 70 -10.250 -7.083 4.427 501 HG13 VAL 70 3HG1 VAL 70 -11.944 -6.595 4.457 502 HG21 VAL 70 3HG2 VAL 70 -11.349 -9.870 6.345 503 HG22 VAL 70 1HG2 VAL 70 -12.209 -8.350 6.595 504 HG23 VAL 70 2HG2 VAL 70 -10.470 -8.337 6.325 505 H LEU 71 H LEU 71 -12.280 -10.333 2.222 506 HA LEU 71 HA LEU 71 -12.577 -8.457 0.168 507 HB2 LEU 71 2HB LEU 71 -12.225 -11.416 0.287 508 HB3 LEU 71 1HB LEU 71 -12.702 -10.701 -1.243 509 HG LEU 71 HG LEU 71 -10.703 -9.412 -1.373 510 HD11 LEU 71 1HD1 LEU 71 -10.141 -10.321 1.443 511 HD12 LEU 71 2HD1 LEU 71 -10.504 -8.679 0.906 512 HD13 LEU 71 3HD1 LEU 71 -8.998 -9.456 0.415 513 HD21 LEU 71 3HD2 LEU 71 -10.459 -11.736 -2.036 514 HD22 LEU 71 1HD2 LEU 71 -10.043 -12.182 -0.381 515 HD23 LEU 71 2HD2 LEU 71 -8.965 -11.138 -1.311 516 H THR 72 H THR 72 -14.896 -10.230 1.875 517 HA THR 72 HA THR 72 -16.910 -10.100 -0.228 518 HB THR 72 HB THR 72 -17.076 -11.109 2.621 519 HG1 THR 72 1HG THR 72 -17.313 -13.150 1.406 520 HG21 THR 72 3HG2 THR 72 -19.121 -11.009 0.407 521 HG22 THR 72 1HG2 THR 72 -19.259 -10.377 2.048 522 HG23 THR 72 2HG2 THR 72 -19.250 -12.119 1.773 523 H HIS 73 H HIS 73 -16.174 -8.693 2.922 524 HA HIS 73 HA HIS 73 -18.491 -7.155 3.246 525 HB2 HIS 73 2HB HIS 73 -16.819 -7.595 5.030 526 HB3 HIS 73 1HB HIS 73 -15.694 -6.516 4.212 527 HD1 HIS 73 1HD HIS 73 -16.010 -4.016 4.548 528 HD2 HIS 73 2HD HIS 73 -19.030 -6.296 6.266 529 HE1 HIS 73 1HE HIS 73 -17.322 -2.421 5.985 530 HE2 HIS 73 2HE HIS 73 -19.071 -3.849 7.103 531 H TYR 74 H TYR 74 -15.412 -6.431 1.658 532 HA TYR 74 HA TYR 74 -16.366 -3.799 0.865 533 HB2 TYR 74 2HB TYR 74 -13.747 -5.232 0.399 534 HB3 TYR 74 1HB TYR 74 -14.102 -3.624 -0.220 535 HD1 TYR 74 1HD TYR 74 -13.858 -5.580 2.935 536 HD2 TYR 74 2HD TYR 74 -13.718 -1.738 1.113 537 HE1 TYR 74 1HE TYR 74 -13.086 -4.612 5.057 538 HE2 TYR 74 2HE TYR 74 -12.944 -0.757 3.231 539 HH TYR 74 HH TYR 74 -13.032 -1.278 5.644 540 H ASN 75 H ASN 75 -17.228 -6.633 -0.150 541 HA ASN 75 HA ASN 75 -18.024 -7.541 -2.075 542 HB2 ASN 75 2HB ASN 75 -18.029 -4.629 -2.865 543 HB3 ASN 75 1HB ASN 75 -18.779 -5.905 -3.819 544 HD21 ASN 75 1HD2 ASN 75 -20.831 -5.054 -3.604 545 HD22 ASN 75 2HD2 ASN 75 -21.707 -5.102 -2.117 546 H ILE 76 H ILE 76 -15.105 -7.225 -1.746 547 HA ILE 76 HA ILE 76 -13.857 -6.565 -4.178 548 HB ILE 76 HB ILE 76 -12.908 -8.588 -2.148 549 HG12 ILE 76 2HG1 ILE 76 -13.461 -6.472 -1.061 550 HG13 ILE 76 1HG1 ILE 76 -11.725 -6.718 -1.085 551 HG21 ILE 76 1HG2 ILE 76 -11.632 -8.729 -4.162 552 HG22 ILE 76 2HG2 ILE 76 -10.658 -7.902 -2.948 553 HG23 ILE 76 3HG2 ILE 76 -11.446 -6.978 -4.225 554 HD11 ILE 76 3HD1 ILE 76 -12.359 -4.400 -1.569 555 HD12 ILE 76 1HD1 ILE 76 -13.249 -4.953 -2.989 556 HD13 ILE 76 2HD1 ILE 76 -11.498 -5.149 -2.913 557 H THR 77 H THR 77 -13.853 -7.570 -6.086 558 HA THR 77 HA THR 77 -14.165 -10.478 -6.190 559 HB THR 77 HB THR 77 -15.797 -10.270 -8.070 560 HG1 THR 77 1HG THR 77 -16.504 -7.708 -7.226 561 HG21 THR 77 3HG2 THR 77 -17.748 -9.815 -6.650 562 HG22 THR 77 1HG2 THR 77 -16.688 -9.125 -5.423 563 HG23 THR 77 2HG2 THR 77 -16.569 -10.837 -5.831 564 H GLY 78 H GLY 78 -11.768 -9.604 -6.581 565 HA2 GLY 78 2HA GLY 78 -10.765 -10.468 -8.878 566 HA3 GLY 78 1HA GLY 78 -11.346 -8.887 -9.380 567 H ASN 79 H ASN 79 -9.760 -9.943 -6.372 568 HA ASN 79 HA ASN 79 -7.970 -9.088 -5.250 569 HB2 ASN 79 2HB ASN 79 -6.910 -8.862 -8.073 570 HB3 ASN 79 1HB ASN 79 -5.928 -8.782 -6.616 571 HD21 ASN 79 1HD2 ASN 79 -7.857 -10.831 -8.664 572 HD22 ASN 79 2HD2 ASN 79 -7.273 -12.335 -8.045 573 H THR 80 H THR 80 -9.965 -7.260 -5.599 574 HA THR 80 HA THR 80 -9.151 -4.808 -6.764 575 HB THR 80 HB THR 80 -11.253 -5.379 -4.661 576 HG1 THR 80 1HG THR 80 -11.149 -5.634 -7.405 577 HG21 THR 80 3HG2 THR 80 -10.643 -3.019 -4.617 578 HG22 THR 80 1HG2 THR 80 -12.248 -3.226 -5.320 579 HG23 THR 80 2HG2 THR 80 -10.860 -2.915 -6.362 580 H ILE 81 H ILE 81 -8.578 -2.866 -5.776 581 HA ILE 81 HA ILE 81 -7.383 -3.062 -3.086 582 HB ILE 81 HB ILE 81 -6.468 -1.415 -5.454 583 HG12 ILE 81 2HG1 ILE 81 -5.129 -3.656 -3.924 584 HG13 ILE 81 1HG1 ILE 81 -5.775 -3.762 -5.557 585 HG21 ILE 81 1HG2 ILE 81 -5.355 -1.458 -2.652 586 HG22 ILE 81 2HG2 ILE 81 -6.301 -0.147 -3.361 587 HG23 ILE 81 3HG2 ILE 81 -4.714 -0.546 -4.019 588 HD11 ILE 81 3HD1 ILE 81 -4.130 -2.043 -6.251 589 HD12 ILE 81 1HD1 ILE 81 -3.407 -3.548 -5.681 590 HD13 ILE 81 2HD1 ILE 81 -3.430 -2.130 -4.633 591 H CYS 82 H CYS 82 -8.516 -1.879 -1.652 592 HA CYS 82 HA CYS 82 -10.093 0.355 -2.716 593 HB2 CYS 82 2HB CYS 82 -10.475 -1.235 -0.190 594 HB3 CYS 82 1HB CYS 82 -11.469 0.133 -0.670 595 HG CYS 82 HG CYS 82 -12.378 -2.735 -1.138 596 H LEU 83 H LEU 83 -9.794 2.357 -2.115 597 HA LEU 83 HA LEU 83 -7.857 2.929 0.015 598 HB2 LEU 83 2HB LEU 83 -6.987 3.907 -1.881 599 HB3 LEU 83 1HB LEU 83 -8.561 4.239 -2.565 600 HG LEU 83 HG LEU 83 -8.856 6.161 -1.144 601 HD11 LEU 83 1HD1 LEU 83 -6.147 5.708 0.068 602 HD12 LEU 83 2HD1 LEU 83 -7.627 5.122 0.827 603 HD13 LEU 83 3HD1 LEU 83 -7.400 6.850 0.558 604 HD21 LEU 83 3HD2 LEU 83 -6.151 6.042 -2.456 605 HD22 LEU 83 1HD2 LEU 83 -6.889 7.528 -1.859 606 HD23 LEU 83 2HD2 LEU 83 -7.666 6.618 -3.152 607 H PHE 84 H PHE 84 -9.019 3.204 1.857 608 HA PHE 84 HA PHE 84 -11.509 4.737 1.740 609 HB2 PHE 84 2HB PHE 84 -11.194 2.462 2.982 610 HB3 PHE 84 1HB PHE 84 -10.451 3.449 4.235 611 HD1 PHE 84 1HD PHE 84 -11.865 5.517 5.012 612 HD2 PHE 84 2HD PHE 84 -13.465 2.106 3.032 613 HE1 PHE 84 1HE PHE 84 -14.094 6.045 5.910 614 HE2 PHE 84 2HE PHE 84 -15.697 2.629 3.925 615 HZ PHE 84 HZ PHE 84 -16.014 4.600 5.367 616 H ARG 85 H ARG 85 -11.568 6.798 2.286 617 HA ARG 85 HA ARG 85 -9.301 7.933 3.789 618 HB2 ARG 85 2HB ARG 85 -11.157 9.792 2.456 619 HB3 ARG 85 1HB ARG 85 -9.399 9.775 2.481 620 HG2 ARG 85 2HG ARG 85 -9.385 8.009 0.792 621 HG3 ARG 85 1HG ARG 85 -11.156 8.049 0.752 622 HD2 ARG 85 2HD ARG 85 -9.209 10.158 -0.137 623 HD3 ARG 85 1HD ARG 85 -10.460 9.347 -1.082 624 HE ARG 85 HE ARG 85 -11.545 10.851 1.091 625 HH11 ARG 85 1HH1 ARG 85 -10.314 11.074 -2.161 626 HH12 ARG 85 2HH1 ARG 85 -11.178 12.530 -2.528 627 HH21 ARG 85 1HH2 ARG 85 -12.685 12.771 0.618 628 HH22 ARG 85 2HH2 ARG 85 -12.525 13.494 -0.947 629 H LEU 86 H LEU 86 -9.856 7.809 5.860 630 HA LEU 86 HA LEU 86 -12.257 7.768 7.115 631 HB2 LEU 86 2HB LEU 86 -10.491 7.371 8.509 632 HB3 LEU 86 1HB LEU 86 -9.554 8.713 7.888 633 HG LEU 86 HG LEU 86 -11.084 10.263 9.127 634 HD11 LEU 86 1HD1 LEU 86 -13.004 8.772 9.345 635 HD12 LEU 86 2HD1 LEU 86 -12.452 9.327 10.926 636 HD13 LEU 86 3HD1 LEU 86 -12.061 7.695 10.378 637 HD21 LEU 86 3HD2 LEU 86 -10.092 9.782 11.334 638 HD22 LEU 86 1HD2 LEU 86 -8.917 9.719 10.019 639 HD23 LEU 86 2HD2 LEU 86 -9.541 8.223 10.718 640 H VAL 87 H VAL 87 -10.402 10.753 6.507 641 HA VAL 87 HA VAL 87 -11.961 12.628 7.682 642 HB VAL 87 HB VAL 87 -11.426 13.963 5.387 643 HG11 VAL 87 1HG1 VAL 87 -9.305 14.619 6.494 644 HG12 VAL 87 2HG1 VAL 87 -9.551 13.315 7.657 645 HG13 VAL 87 3HG1 VAL 87 -10.700 14.650 7.572 646 HG21 VAL 87 3HG2 VAL 87 -9.483 11.667 5.563 647 HG22 VAL 87 1HG2 VAL 87 -9.202 13.137 4.625 648 HG23 VAL 87 2HG2 VAL 87 -10.547 12.073 4.211 649 H ASP 88 H ASP 88 -12.391 11.807 4.235 650 HA ASP 88 HA ASP 88 -15.105 12.860 4.409 651 HB2 ASP 88 2HB ASP 88 -13.299 12.228 2.083 652 HB3 ASP 88 1HB ASP 88 -15.005 12.619 1.871 653 H ASN 89 H ASN 89 -14.037 10.141 5.296 654 HA ASN 89 HA ASN 89 -14.621 7.937 5.230 655 HB2 ASN 89 2HB ASN 89 -16.948 7.580 5.645 656 HB3 ASN 89 1HB ASN 89 -16.516 9.131 6.355 657 HD21 ASN 89 1HD2 ASN 89 -17.289 11.023 5.447 658 HD22 ASN 89 2HD2 ASN 89 -18.601 11.035 4.323 659 H GLU 90 H GLU 90 -13.883 8.966 2.612 660 HA GLU 90 HA GLU 90 -15.716 7.839 0.699 661 HB2 GLU 90 2HB GLU 90 -12.854 8.699 0.269 662 HB3 GLU 90 1HB GLU 90 -14.077 8.453 -0.968 663 HG2 GLU 90 2HG GLU 90 -14.268 10.520 1.199 664 HG3 GLU 90 1HG GLU 90 -13.616 10.827 -0.408 665 H GLN 91 H GLN 91 -15.103 6.140 -0.823 666 HA GLN 91 HA GLN 91 -13.065 4.280 0.106 667 HB2 GLN 91 2HB GLN 91 -15.169 3.629 1.258 668 HB3 GLN 91 1HB GLN 91 -15.928 3.408 -0.313 669 HG2 GLN 91 2HG GLN 91 -13.405 1.946 0.229 670 HG3 GLN 91 1HG GLN 91 -14.874 1.396 1.034 671 HE21 GLN 91 1HE2 GLN 91 -16.604 2.209 -1.163 672 HE22 GLN 91 2HE2 GLN 91 -16.354 1.056 -2.425 673 H LEU 92 H LEU 92 -11.921 4.654 -1.756 674 HA LEU 92 HA LEU 92 -13.132 4.404 -4.352 675 HB2 LEU 92 2HB LEU 92 -10.219 4.521 -3.551 676 HB3 LEU 92 1HB LEU 92 -10.815 4.607 -5.195 677 HG LEU 92 HG LEU 92 -10.264 6.819 -4.557 678 HD11 LEU 92 1HD1 LEU 92 -12.425 7.993 -4.601 679 HD12 LEU 92 2HD1 LEU 92 -13.244 6.455 -4.324 680 HD13 LEU 92 3HD1 LEU 92 -12.317 6.706 -5.803 681 HD21 LEU 92 3HD2 LEU 92 -10.308 6.294 -2.084 682 HD22 LEU 92 1HD2 LEU 92 -12.037 6.632 -2.142 683 HD23 LEU 92 2HD2 LEU 92 -10.878 7.893 -2.559 684 H ASN 93 H ASN 93 -13.020 2.641 -5.739 685 HA ASN 93 HA ASN 93 -11.822 0.213 -4.576 686 HB2 ASN 93 2HB ASN 93 -13.684 -0.954 -6.004 687 HB3 ASN 93 1HB ASN 93 -14.063 -0.307 -4.413 688 HD21 ASN 93 1HD2 ASN 93 -14.461 0.063 -7.835 689 HD22 ASN 93 2HD2 ASN 93 -15.716 1.247 -7.772 690 H LEU 94 H LEU 94 -9.985 0.049 -5.682 691 HA LEU 94 HA LEU 94 -9.915 0.328 -8.572 692 HB2 LEU 94 2HB LEU 94 -8.087 1.040 -6.866 693 HB3 LEU 94 1HB LEU 94 -7.674 -0.660 -6.818 694 HG LEU 94 HG LEU 94 -7.785 0.655 -9.479 695 HD11 LEU 94 1HD1 LEU 94 -5.434 1.386 -9.195 696 HD12 LEU 94 2HD1 LEU 94 -5.567 1.042 -7.470 697 HD13 LEU 94 3HD1 LEU 94 -6.569 2.299 -8.200 698 HD21 LEU 94 3HD2 LEU 94 -7.350 -1.725 -9.299 699 HD22 LEU 94 1HD2 LEU 94 -6.006 -1.417 -8.199 700 HD23 LEU 94 2HD2 LEU 94 -5.914 -0.883 -9.879 701 H GLU 95 H GLU 95 -11.459 -1.389 -8.909 702 HA GLU 95 HA GLU 95 -10.848 -4.067 -8.076 703 HB2 GLU 95 2HB GLU 95 -12.933 -3.172 -10.058 704 HB3 GLU 95 1HB GLU 95 -12.888 -4.691 -9.170 705 HG2 GLU 95 2HG GLU 95 -13.271 -3.552 -7.098 706 HG3 GLU 95 1HG GLU 95 -13.167 -1.982 -7.896 707 H ASP 96 H ASP 96 -11.680 -5.560 -10.202 708 HA ASP 96 HA ASP 96 -9.399 -6.292 -11.498 709 HB2 ASP 96 2HB ASP 96 -11.143 -7.086 -13.340 710 HB3 ASP 96 1HB ASP 96 -11.037 -7.864 -11.762 711 H GLU 97 H GLU 97 -11.900 -4.145 -12.834 712 HA GLU 97 HA GLU 97 -10.889 -3.667 -15.328 713 HB2 GLU 97 2HB GLU 97 -13.009 -2.735 -14.440 714 HB3 GLU 97 1HB GLU 97 -12.083 -1.571 -13.504 715 HG2 GLU 97 2HG GLU 97 -12.966 -0.564 -15.523 716 HG3 GLU 97 1HG GLU 97 -11.203 -0.603 -15.558 717 H ASP 98 H ASP 98 -9.453 -2.841 -12.351 718 HA ASP 98 HA ASP 98 -7.418 -1.237 -13.739 719 HB2 ASP 98 2HB ASP 98 -8.466 -0.858 -10.921 720 HB3 ASP 98 1HB ASP 98 -7.107 0.022 -11.622 721 H ILE 99 H ILE 99 -8.084 -3.989 -11.872 722 HA ILE 99 HA ILE 99 -5.407 -4.203 -10.740 723 HB ILE 99 HB ILE 99 -7.838 -5.983 -10.530 724 HG12 ILE 99 2HG1 ILE 99 -7.795 -3.808 -9.295 725 HG13 ILE 99 1HG1 ILE 99 -7.967 -5.227 -8.273 726 HG21 ILE 99 1HG2 ILE 99 -5.087 -6.380 -9.367 727 HG22 ILE 99 2HG2 ILE 99 -5.965 -7.463 -10.449 728 HG23 ILE 99 3HG2 ILE 99 -6.530 -7.217 -8.795 729 HD11 ILE 99 3HD1 ILE 99 -5.454 -3.634 -8.715 730 HD12 ILE 99 1HD1 ILE 99 -5.576 -5.095 -7.735 731 HD13 ILE 99 2HD1 ILE 99 -6.462 -3.645 -7.267 732 H GLU 100 H GLU 100 -7.279 -5.468 -13.389 733 HA GLU 100 HA GLU 100 -5.893 -7.774 -14.031 734 HB2 GLU 100 2HB GLU 100 -7.962 -7.063 -15.154 735 HB3 GLU 100 1HB GLU 100 -7.090 -5.749 -15.933 736 HG2 GLU 100 2HG GLU 100 -5.687 -7.393 -17.097 737 HG3 GLU 100 1HG GLU 100 -6.611 -8.692 -16.344 738 H SER 101 H SER 101 -5.237 -4.445 -15.085 739 HA SER 101 HA SER 101 -2.514 -5.306 -15.818 740 HB2 SER 101 2HB SER 101 -2.503 -3.495 -17.493 741 HB3 SER 101 1HB SER 101 -3.804 -4.643 -17.800 742 HG SER 101 HG SER 101 -4.152 -2.224 -16.366 743 H ILE 102 H ILE 102 -3.303 -4.507 -13.211 744 HA ILE 102 HA ILE 102 -2.846 -1.815 -12.628 745 HB ILE 102 HB ILE 102 -3.807 -3.369 -10.999 746 HG12 ILE 102 2HG1 ILE 102 -2.297 -2.681 -9.029 747 HG13 ILE 102 1HG1 ILE 102 -1.294 -1.887 -10.235 748 HG21 ILE 102 1HG2 ILE 102 -1.028 -4.545 -10.945 749 HG22 ILE 102 2HG2 ILE 102 -2.526 -5.352 -11.410 750 HG23 ILE 102 3HG2 ILE 102 -2.268 -4.872 -9.733 751 HD11 ILE 102 3HD1 ILE 102 -3.367 -0.634 -10.944 752 HD12 ILE 102 1HD1 ILE 102 -2.702 -0.229 -9.361 753 HD13 ILE 102 2HD1 ILE 102 -4.125 -1.263 -9.481 754 H ASP 103 H ASP 103 -1.053 -0.653 -12.097 755 HA ASP 103 HA ASP 103 1.558 -1.971 -12.183 756 HB2 ASP 103 2HB ASP 103 0.914 0.552 -13.722 757 HB3 ASP 103 1HB ASP 103 2.484 -0.240 -13.629 758 H ALA 104 H ALA 104 3.206 -0.840 -11.010 759 HA ALA 104 HA ALA 104 2.438 0.295 -8.635 760 HB1 ALA 104 1HB ALA 104 5.006 0.767 -10.134 761 HB2 ALA 104 2HB ALA 104 4.673 -0.519 -8.969 762 HB3 ALA 104 3HB ALA 104 4.733 1.162 -8.434 763 H THR 105 H THR 105 3.053 1.876 -11.703 764 HA THR 105 HA THR 105 2.931 4.549 -10.845 765 HB THR 105 HB THR 105 2.120 3.369 -13.508 766 HG1 THR 105 1HG THR 105 4.556 4.549 -12.606 767 HG21 THR 105 3HG2 THR 105 2.534 5.676 -14.348 768 HG22 THR 105 1HG2 THR 105 2.647 6.211 -12.671 769 HG23 THR 105 2HG2 THR 105 1.135 5.538 -13.281 770 H LYS 106 H LYS 106 0.418 2.371 -12.082 771 HA LYS 106 HA LYS 106 -1.716 4.184 -11.985 772 HB2 LYS 106 2HB LYS 106 -1.788 1.176 -11.654 773 HB3 LYS 106 1HB LYS 106 -3.165 2.199 -12.047 774 HG2 LYS 106 2HG LYS 106 -2.163 2.807 -14.155 775 HG3 LYS 106 1HG LYS 106 -0.704 1.900 -13.758 776 HD2 LYS 106 2HD LYS 106 -2.015 0.540 -15.219 777 HD3 LYS 106 1HD LYS 106 -2.135 -0.156 -13.603 778 HE2 LYS 106 2HE LYS 106 -4.291 1.041 -13.308 779 HE3 LYS 106 1HE LYS 106 -4.178 1.581 -14.983 780 HZ1 LYS 106 3HZ LYS 106 -5.568 -0.356 -14.842 781 HZ2 LYS 106 1HZ LYS 106 -4.357 -1.233 -14.052 782 HZ3 LYS 106 2HZ LYS 106 -4.146 -0.763 -15.662 783 H LEU 107 H LEU 107 -1.000 1.553 -9.650 784 HA LEU 107 HA LEU 107 -2.872 2.163 -7.740 785 HB2 LEU 107 2HB LEU 107 -0.697 0.467 -7.887 786 HB3 LEU 107 1HB LEU 107 -0.261 1.533 -6.568 787 HG LEU 107 HG LEU 107 -2.489 -0.454 -6.734 788 HD11 LEU 107 1HD1 LEU 107 -0.538 -1.246 -5.672 789 HD12 LEU 107 2HD1 LEU 107 -1.666 -0.855 -4.376 790 HD13 LEU 107 3HD1 LEU 107 -0.337 0.245 -4.751 791 HD21 LEU 107 3HD2 LEU 107 -3.676 1.558 -6.136 792 HD22 LEU 107 1HD2 LEU 107 -2.459 1.960 -4.924 793 HD23 LEU 107 2HD2 LEU 107 -3.493 0.550 -4.702 794 H SER 108 H SER 108 0.483 3.368 -7.819 795 HA SER 108 HA SER 108 0.274 5.135 -5.667 796 HB2 SER 108 2HB SER 108 2.029 5.341 -8.123 797 HB3 SER 108 1HB SER 108 2.267 6.238 -6.623 798 HG SER 108 HG SER 108 3.459 4.144 -6.996 799 H ARG 109 H ARG 109 -0.658 5.482 -9.018 800 HA ARG 109 HA ARG 109 -0.990 8.297 -8.987 801 HB2 ARG 109 2HB ARG 109 -0.719 6.902 -11.050 802 HB3 ARG 109 1HB ARG 109 -2.339 6.282 -10.787 803 HG2 ARG 109 2HG ARG 109 -1.871 9.224 -11.009 804 HG3 ARG 109 1HG ARG 109 -1.976 8.217 -12.454 805 HD2 ARG 109 2HD ARG 109 -4.163 7.346 -11.493 806 HD3 ARG 109 1HD ARG 109 -4.066 8.682 -10.342 807 HE ARG 109 HE ARG 109 -3.752 9.821 -12.828 808 HH11 ARG 109 1HH1 ARG 109 -6.190 7.924 -11.217 809 HH12 ARG 109 2HH1 ARG 109 -7.503 8.613 -12.115 810 HH21 ARG 109 1HH2 ARG 109 -5.472 10.730 -14.016 811 HH22 ARG 109 2HH2 ARG 109 -7.093 10.206 -13.707 812 H PHE 110 H PHE 110 -3.467 5.752 -9.214 813 HA PHE 110 HA PHE 110 -5.715 7.182 -8.704 814 HB2 PHE 110 2HB PHE 110 -4.947 4.392 -7.873 815 HB3 PHE 110 1HB PHE 110 -6.522 5.058 -7.444 816 HD1 PHE 110 2HD PHE 110 -8.178 5.546 -9.162 817 HD2 PHE 110 1HD PHE 110 -4.412 3.827 -10.146 818 HE1 PHE 110 2HE PHE 110 -9.044 4.926 -11.381 819 HE2 PHE 110 1HE PHE 110 -5.270 3.207 -12.365 820 HZ PHE 110 HZ PHE 110 -7.589 3.755 -12.984 821 H ILE 111 H ILE 111 -3.446 5.913 -6.290 822 HA ILE 111 HA ILE 111 -4.829 6.850 -4.020 823 HB ILE 111 HB ILE 111 -1.866 6.379 -4.414 824 HG12 ILE 111 2HG1 ILE 111 -3.910 4.675 -2.984 825 HG13 ILE 111 1HG1 ILE 111 -3.451 4.431 -4.661 826 HG21 ILE 111 1HG2 ILE 111 -3.426 6.814 -1.869 827 HG22 ILE 111 2HG2 ILE 111 -2.236 7.916 -2.569 828 HG23 ILE 111 3HG2 ILE 111 -1.732 6.336 -1.966 829 HD11 ILE 111 3HD1 ILE 111 -1.603 4.273 -2.299 830 HD12 ILE 111 1HD1 ILE 111 -1.154 4.013 -3.984 831 HD13 ILE 111 2HD1 ILE 111 -2.274 2.905 -3.188 832 H GLU 112 H GLU 112 -2.031 8.226 -5.741 833 HA GLU 112 HA GLU 112 -1.825 10.618 -4.373 834 HB2 GLU 112 2HB GLU 112 -0.257 9.714 -6.144 835 HB3 GLU 112 1HB GLU 112 -1.402 10.299 -7.349 836 HG2 GLU 112 2HG GLU 112 0.293 11.930 -7.169 837 HG3 GLU 112 1HG GLU 112 -1.126 12.584 -6.351 838 H ILE 113 H ILE 113 -4.262 9.525 -6.471 839 HA ILE 113 HA ILE 113 -5.237 12.158 -7.176 840 HB ILE 113 HB ILE 113 -5.698 9.412 -8.079 841 HG12 ILE 113 2HG1 ILE 113 -5.991 10.534 -10.231 842 HG13 ILE 113 1HG1 ILE 113 -6.036 12.099 -9.424 843 HG21 ILE 113 1HG2 ILE 113 -8.028 11.309 -7.977 844 HG22 ILE 113 2HG2 ILE 113 -7.902 9.727 -7.206 845 HG23 ILE 113 3HG2 ILE 113 -7.955 9.848 -8.963 846 HD11 ILE 113 3HD1 ILE 113 -3.874 11.622 -10.484 847 HD12 ILE 113 1HD1 ILE 113 -3.682 10.226 -9.424 848 HD13 ILE 113 2HD1 ILE 113 -3.737 11.851 -8.740 849 H ASN 114 H ASN 114 -6.152 9.471 -5.046 850 HA ASN 114 HA ASN 114 -8.196 11.253 -3.881 851 HB2 ASN 114 2HB ASN 114 -8.323 8.260 -4.253 852 HB3 ASN 114 1HB ASN 114 -9.452 9.175 -3.256 853 HD21 ASN 114 1HD2 ASN 114 -9.492 11.475 -5.001 854 HD22 ASN 114 2HD2 ASN 114 -10.412 11.024 -6.391 855 H SER 115 H SER 115 -5.385 10.909 -3.074 856 HA SER 115 HA SER 115 -5.498 9.447 -0.581 857 HB2 SER 115 2HB SER 115 -3.176 10.189 -0.284 858 HB3 SER 115 1HB SER 115 -3.412 9.519 -1.899 859 HG SER 115 HG SER 115 -2.295 11.423 -2.124 860 H LEU 116 H LEU 116 -7.444 11.440 -0.749 861 HA LEU 116 HA LEU 116 -6.561 13.757 0.716 862 HB2 LEU 116 2HB LEU 116 -9.346 12.848 0.019 863 HB3 LEU 116 1HB LEU 116 -8.906 14.423 0.649 864 HG LEU 116 HG LEU 116 -8.151 13.300 -2.049 865 HD11 LEU 116 1HD1 LEU 116 -9.588 15.010 -2.943 866 HD12 LEU 116 2HD1 LEU 116 -9.920 15.628 -1.324 867 HD13 LEU 116 3HD1 LEU 116 -10.500 14.031 -1.793 868 HD21 LEU 116 3HD2 LEU 116 -7.469 15.952 -0.786 869 HD22 LEU 116 1HD2 LEU 116 -7.192 15.528 -2.475 870 HD23 LEU 116 2HD2 LEU 116 -6.338 14.663 -1.196 Start of MODEL 35 1 H GLU 1 H GLU 1 9.676 16.417 8.700 2 HA GLU 1 HA GLU 1 11.864 14.620 8.567 3 HB2 GLU 1 2HB GLU 1 11.251 13.243 6.620 4 HB3 GLU 1 1HB GLU 1 10.222 12.906 8.005 5 HG2 GLU 1 2HG GLU 1 8.456 14.279 7.042 6 HG3 GLU 1 1HG GLU 1 9.490 14.648 5.661 7 H VAL 2 H VAL 2 10.772 17.411 8.059 8 HA VAL 2 HA VAL 2 11.606 17.866 5.302 9 HB VAL 2 HB VAL 2 10.912 20.209 5.701 10 HG11 VAL 2 1HG1 VAL 2 8.855 18.129 6.433 11 HG12 VAL 2 2HG1 VAL 2 9.319 18.609 4.802 12 HG13 VAL 2 3HG1 VAL 2 8.506 19.761 5.863 13 HG21 VAL 2 3HG2 VAL 2 9.697 20.761 7.765 14 HG22 VAL 2 1HG2 VAL 2 11.384 20.354 8.081 15 HG23 VAL 2 2HG2 VAL 2 10.115 19.178 8.422 16 H GLU 3 H GLU 3 13.245 17.412 8.025 17 HA GLU 3 HA GLU 3 15.302 19.392 7.304 18 HB2 GLU 3 2HB GLU 3 14.189 19.980 9.446 19 HB3 GLU 3 1HB GLU 3 14.679 18.424 10.101 20 HG2 GLU 3 2HG GLU 3 17.010 19.032 9.887 21 HG3 GLU 3 1HG GLU 3 16.566 20.561 9.131 22 H LYS 4 H LYS 4 17.466 18.724 7.513 23 HA LYS 4 HA LYS 4 19.197 17.267 7.291 24 HB2 LYS 4 2HB LYS 4 17.528 15.625 9.206 25 HB3 LYS 4 1HB LYS 4 19.202 15.284 8.791 26 HG2 LYS 4 2HG LYS 4 19.876 17.434 9.742 27 HG3 LYS 4 1HG LYS 4 18.195 17.769 10.163 28 HD2 LYS 4 2HD LYS 4 19.309 16.953 12.122 29 HD3 LYS 4 1HD LYS 4 18.205 15.699 11.555 30 HE2 LYS 4 2HE LYS 4 20.127 14.613 10.407 31 HE3 LYS 4 1HE LYS 4 21.191 15.813 11.140 32 HZ1 LYS 4 3HZ LYS 4 21.211 13.810 12.439 33 HZ2 LYS 4 1HZ LYS 4 19.525 13.820 12.580 34 HZ3 LYS 4 2HZ LYS 4 20.443 15.025 13.330 35 H SER 5 H SER 5 17.073 17.157 5.364 36 HA SER 5 HA SER 5 17.529 14.442 4.364 37 HB2 SER 5 2HB SER 5 15.303 14.395 5.384 38 HB3 SER 5 1HB SER 5 14.822 15.800 4.434 39 HG SER 5 HG SER 5 15.820 13.823 2.867 40 H SER 6 H SER 6 19.067 15.478 2.994 41 HA SER 6 HA SER 6 17.855 17.074 0.831 42 HB2 SER 6 2HB SER 6 19.551 18.326 2.084 43 HB3 SER 6 1HB SER 6 20.730 17.050 1.784 44 HG SER 6 HG SER 6 19.475 18.111 -0.450 45 H ASP 7 H ASP 7 18.951 14.063 1.576 46 HA ASP 7 HA ASP 7 20.260 13.494 -0.952 47 HB2 ASP 7 2HB ASP 7 21.107 12.407 1.062 48 HB3 ASP 7 1HB ASP 7 19.527 11.693 1.367 49 H GLY 8 H GLY 8 17.343 12.374 0.769 50 HA2 GLY 8 2HA GLY 8 15.557 12.506 -1.299 51 HA3 GLY 8 1HA GLY 8 16.355 10.957 -1.522 52 HA PRO 9 HA PRO 9 12.722 10.886 1.653 53 HB2 PRO 9 2HB PRO 9 11.514 9.152 -0.428 54 HB3 PRO 9 1HB PRO 9 10.767 10.410 0.561 55 HG2 PRO 9 2HG PRO 9 11.270 10.817 -2.029 56 HG3 PRO 9 1HG PRO 9 11.476 12.116 -0.837 57 HD2 PRO 9 2HD PRO 9 13.547 10.410 -2.162 58 HD3 PRO 9 1HD PRO 9 13.593 12.142 -1.772 59 H GLY 10 H GLY 10 11.798 8.811 2.570 60 HA2 GLY 10 2HA GLY 10 12.949 6.304 1.930 61 HA3 GLY 10 1HA GLY 10 13.839 7.044 3.250 62 H ALA 11 H ALA 11 12.165 4.607 3.175 63 HA ALA 11 HA ALA 11 10.818 4.999 5.655 64 HB1 ALA 11 1HB ALA 11 9.135 5.982 4.157 65 HB2 ALA 11 2HB ALA 11 8.546 4.518 4.944 66 HB3 ALA 11 3HB ALA 11 9.063 4.465 3.259 67 H ALA 12 H ALA 12 10.287 2.881 2.837 68 HA ALA 12 HA ALA 12 10.457 0.636 2.555 69 HB1 ALA 12 1HB ALA 12 12.480 0.711 4.780 70 HB2 ALA 12 2HB ALA 12 12.826 1.186 3.117 71 HB3 ALA 12 3HB ALA 12 12.347 -0.474 3.479 72 H GLN 13 H GLN 13 8.611 -0.331 3.111 73 HA GLN 13 HA GLN 13 8.414 -1.775 5.545 74 HB2 GLN 13 2HB GLN 13 6.215 -0.570 6.216 75 HB3 GLN 13 1HB GLN 13 7.753 0.146 6.677 76 HG2 GLN 13 2HG GLN 13 7.551 1.518 4.530 77 HG3 GLN 13 1HG GLN 13 5.867 0.991 4.509 78 HE21 GLN 13 1HE2 GLN 13 7.557 1.531 7.497 79 HE22 GLN 13 2HE2 GLN 13 6.720 2.974 7.945 80 H GLU 14 H GLU 14 6.102 -2.744 5.745 81 HA GLU 14 HA GLU 14 5.102 -3.297 3.027 82 HB2 GLU 14 2HB GLU 14 4.755 -5.594 3.620 83 HB3 GLU 14 1HB GLU 14 6.408 -5.173 4.047 84 HG2 GLU 14 2HG GLU 14 5.769 -4.939 6.375 85 HG3 GLU 14 1HG GLU 14 4.092 -5.300 5.963 86 HA PRO 15 HA PRO 15 1.032 -2.284 4.383 87 HB2 PRO 15 2HB PRO 15 -0.506 -4.100 3.062 88 HB3 PRO 15 1HB PRO 15 0.281 -2.729 2.267 89 HG2 PRO 15 2HG PRO 15 1.122 -5.592 2.388 90 HG3 PRO 15 1HG PRO 15 1.175 -4.462 1.025 91 HD2 PRO 15 2HD PRO 15 3.356 -5.089 2.521 92 HD3 PRO 15 1HD PRO 15 3.147 -3.518 1.722 93 H THR 16 H THR 16 -0.415 -2.722 5.975 94 HA THR 16 HA THR 16 0.159 -4.747 7.847 95 HB THR 16 HB THR 16 -2.424 -3.194 7.617 96 HG1 THR 16 1HG THR 16 -0.018 -2.528 9.001 97 HG21 THR 16 3HG2 THR 16 -2.548 -5.053 9.178 98 HG22 THR 16 1HG2 THR 16 -2.503 -3.529 10.061 99 HG23 THR 16 2HG2 THR 16 -1.055 -4.528 9.956 100 H TRP 17 H TRP 17 -1.050 -6.548 8.502 101 HA TRP 17 HA TRP 17 -2.417 -7.893 6.300 102 HB2 TRP 17 2HB TRP 17 -1.404 -8.931 8.954 103 HB3 TRP 17 1HB TRP 17 -2.162 -9.922 7.711 104 HD1 TRP 17 HD TRP 17 1.076 -8.025 8.470 105 HE1 TRP 17 1HE TRP 17 2.911 -8.862 6.872 106 HE3 TRP 17 3HE TRP 17 -1.778 -10.980 5.425 107 HZ2 TRP 17 2HZ TRP 17 3.124 -10.551 4.621 108 HZ3 TRP 17 3HZ TRP 17 -0.680 -12.171 3.573 109 HH2 TRP 17 HH TRP 17 1.721 -11.958 3.180 110 H LEU 18 H LEU 18 -4.466 -7.039 6.299 111 HA LEU 18 HA LEU 18 -6.037 -6.993 8.750 112 HB2 LEU 18 2HB LEU 18 -6.867 -6.297 5.933 113 HB3 LEU 18 1HB LEU 18 -7.733 -5.909 7.409 114 HG LEU 18 HG LEU 18 -5.008 -4.830 6.694 115 HD11 LEU 18 1HD1 LEU 18 -7.718 -3.536 6.509 116 HD12 LEU 18 2HD1 LEU 18 -6.664 -3.969 5.164 117 HD13 LEU 18 3HD1 LEU 18 -6.173 -2.711 6.298 118 HD21 LEU 18 3HD2 LEU 18 -6.909 -4.252 8.956 119 HD22 LEU 18 1HD2 LEU 18 -5.538 -3.223 8.539 120 HD23 LEU 18 2HD2 LEU 18 -5.267 -4.885 9.059 121 H THR 19 H THR 19 -5.820 -9.361 8.956 122 HA THR 19 HA THR 19 -7.062 -11.110 7.085 123 HB THR 19 HB THR 19 -6.778 -12.845 8.787 124 HG1 THR 19 1HG THR 19 -5.603 -11.969 10.773 125 HG21 THR 19 3HG2 THR 19 -4.848 -12.252 7.421 126 HG22 THR 19 1HG2 THR 19 -4.336 -12.684 9.051 127 HG23 THR 19 2HG2 THR 19 -4.404 -10.989 8.570 128 H ASP 20 H ASP 20 -8.493 -8.885 9.033 129 HA ASP 20 HA ASP 20 -10.996 -10.384 8.997 130 HB2 ASP 20 2HB ASP 20 -9.808 -9.168 11.494 131 HB3 ASP 20 1HB ASP 20 -11.497 -9.646 11.354 132 H VAL 21 H VAL 21 -12.860 -9.133 8.981 133 HA VAL 21 HA VAL 21 -12.737 -6.694 7.654 134 HB VAL 21 HB VAL 21 -15.021 -7.733 9.342 135 HG11 VAL 21 1HG1 VAL 21 -15.312 -5.387 8.863 136 HG12 VAL 21 2HG1 VAL 21 -16.423 -6.328 7.869 137 HG13 VAL 21 3HG1 VAL 21 -14.957 -5.657 7.157 138 HG21 VAL 21 3HG2 VAL 21 -14.506 -8.058 6.389 139 HG22 VAL 21 1HG2 VAL 21 -15.891 -8.678 7.286 140 HG23 VAL 21 2HG2 VAL 21 -14.276 -9.315 7.604 141 HA PRO 22 HA PRO 22 -13.720 -4.556 11.959 142 HB2 PRO 22 2HB PRO 22 -12.526 -5.878 14.070 143 HB3 PRO 22 1HB PRO 22 -14.244 -5.966 13.670 144 HG2 PRO 22 2HG PRO 22 -12.041 -7.871 12.998 145 HG3 PRO 22 1HG PRO 22 -13.701 -8.215 13.521 146 HD2 PRO 22 2HD PRO 22 -12.983 -8.435 10.958 147 HD3 PRO 22 1HD PRO 22 -14.581 -7.806 11.409 148 H ALA 23 H ALA 23 -10.757 -6.537 11.800 149 HA ALA 23 HA ALA 23 -9.042 -4.558 12.845 150 HB1 ALA 23 1HB ALA 23 -8.501 -6.994 12.691 151 HB2 ALA 23 2HB ALA 23 -7.224 -5.931 12.098 152 HB3 ALA 23 3HB ALA 23 -8.268 -6.777 10.954 153 H ALA 24 H ALA 24 -10.158 -5.314 9.639 154 HA ALA 24 HA ALA 24 -8.386 -3.671 8.181 155 HB1 ALA 24 1HB ALA 24 -9.650 -5.341 7.016 156 HB2 ALA 24 2HB ALA 24 -10.162 -3.766 6.408 157 HB3 ALA 24 3HB ALA 24 -11.177 -4.641 7.554 158 H MET 25 H MET 25 -11.786 -3.119 9.076 159 HA MET 25 HA MET 25 -11.902 -0.426 8.339 160 HB2 MET 25 2HB MET 25 -13.525 -1.790 10.491 161 HB3 MET 25 1HB MET 25 -13.961 -0.329 9.613 162 HG2 MET 25 2HG MET 25 -14.008 -1.657 7.525 163 HG3 MET 25 1HG MET 25 -13.705 -3.104 8.481 164 HE1 MET 25 3HE MET 25 -15.406 -4.077 10.281 165 HE2 MET 25 1HE MET 25 -16.925 -3.291 10.706 166 HE3 MET 25 2HE MET 25 -15.390 -2.519 11.105 167 H GLU 26 H GLU 26 -10.633 -1.960 11.196 168 HA GLU 26 HA GLU 26 -10.704 0.360 12.856 169 HB2 GLU 26 2HB GLU 26 -9.345 -2.298 13.009 170 HB3 GLU 26 1HB GLU 26 -8.814 -1.004 14.075 171 HG2 GLU 26 2HG GLU 26 -11.245 -0.765 14.751 172 HG3 GLU 26 1HG GLU 26 -11.509 -2.300 13.926 173 H PHE 27 H PHE 27 -8.126 -1.214 10.973 174 HA PHE 27 HA PHE 27 -6.139 0.673 11.536 175 HB2 PHE 27 2HB PHE 27 -6.424 -1.602 9.829 176 HB3 PHE 27 1HB PHE 27 -5.735 -0.280 8.890 177 HD1 PHE 27 2HD PHE 27 -5.278 -2.353 11.911 178 HD2 PHE 27 1HD PHE 27 -3.512 0.427 9.216 179 HE1 PHE 27 2HE PHE 27 -3.074 -2.784 12.918 180 HE2 PHE 27 1HE PHE 27 -1.305 0.002 10.217 181 HZ PHE 27 HZ PHE 27 -1.085 -1.604 12.072 182 H ILE 28 H ILE 28 -8.739 0.605 9.208 183 HA ILE 28 HA ILE 28 -7.887 2.884 7.711 184 HB ILE 28 HB ILE 28 -10.517 1.439 7.955 185 HG12 ILE 28 2HG1 ILE 28 -8.782 1.875 5.523 186 HG13 ILE 28 1HG1 ILE 28 -8.538 0.524 6.630 187 HG21 ILE 28 1HG2 ILE 28 -9.954 3.908 6.325 188 HG22 ILE 28 2HG2 ILE 28 -11.106 3.757 7.649 189 HG23 ILE 28 3HG2 ILE 28 -11.375 2.884 6.143 190 HD11 ILE 28 3HD1 ILE 28 -10.580 -0.453 6.062 191 HD12 ILE 28 1HD1 ILE 28 -9.907 0.105 4.531 192 HD13 ILE 28 2HD1 ILE 28 -11.184 1.031 5.321 193 H ALA 29 H ALA 29 -10.007 2.353 10.473 194 HA ALA 29 HA ALA 29 -10.948 5.042 10.620 195 HB1 ALA 29 1HB ALA 29 -11.819 4.367 12.830 196 HB2 ALA 29 2HB ALA 29 -10.983 2.821 12.664 197 HB3 ALA 29 3HB ALA 29 -12.275 3.253 11.543 198 H ALA 30 H ALA 30 -8.107 3.414 11.653 199 HA ALA 30 HA ALA 30 -7.431 5.478 13.609 200 HB1 ALA 30 1HB ALA 30 -7.002 3.128 14.174 201 HB2 ALA 30 2HB ALA 30 -5.520 4.084 14.153 202 HB3 ALA 30 3HB ALA 30 -5.897 3.011 12.805 203 H THR 31 H THR 31 -7.637 6.150 10.794 204 HA THR 31 HA THR 31 -5.236 7.642 10.514 205 HB THR 31 HB THR 31 -4.360 5.463 9.786 206 HG1 THR 31 1HG THR 31 -3.300 6.374 8.147 207 HG21 THR 31 3HG2 THR 31 -6.675 4.755 8.904 208 HG22 THR 31 1HG2 THR 31 -5.246 4.233 8.018 209 HG23 THR 31 2HG2 THR 31 -6.202 5.589 7.426 210 H GLU 32 H GLU 32 -5.331 9.150 8.804 211 HA GLU 32 HA GLU 32 -7.954 9.954 8.051 212 HB2 GLU 32 2HB GLU 32 -5.871 11.410 8.400 213 HB3 GLU 32 1HB GLU 32 -5.397 10.923 6.779 214 HG2 GLU 32 2HG GLU 32 -7.453 11.867 5.886 215 HG3 GLU 32 1HG GLU 32 -7.945 12.339 7.512 216 H VAL 33 H VAL 33 -5.197 8.728 6.138 217 HA VAL 33 HA VAL 33 -7.124 7.883 4.072 218 HB VAL 33 HB VAL 33 -4.218 8.535 3.590 219 HG11 VAL 33 1HG1 VAL 33 -6.543 8.055 1.723 220 HG12 VAL 33 2HG1 VAL 33 -5.122 7.027 1.944 221 HG13 VAL 33 3HG1 VAL 33 -4.948 8.626 1.218 222 HG21 VAL 33 3HG2 VAL 33 -5.035 10.623 2.558 223 HG22 VAL 33 1HG2 VAL 33 -5.340 10.554 4.295 224 HG23 VAL 33 2HG2 VAL 33 -6.655 10.253 3.157 225 H ALA 34 H ALA 34 -7.040 5.792 3.370 226 HA ALA 34 HA ALA 34 -4.856 4.090 4.318 227 HB1 ALA 34 1HB ALA 34 -6.459 3.806 6.046 228 HB2 ALA 34 2HB ALA 34 -6.544 2.365 5.025 229 HB3 ALA 34 3HB ALA 34 -7.774 3.624 4.884 230 H VAL 35 H VAL 35 -4.138 2.813 2.785 231 HA VAL 35 HA VAL 35 -5.945 2.125 0.567 232 HB VAL 35 HB VAL 35 -2.970 2.608 0.546 233 HG11 VAL 35 1HG1 VAL 35 -4.687 1.394 -1.627 234 HG12 VAL 35 2HG1 VAL 35 -3.381 0.590 -0.755 235 HG13 VAL 35 3HG1 VAL 35 -3.021 1.939 -1.831 236 HG21 VAL 35 3HG2 VAL 35 -4.327 4.575 0.352 237 HG22 VAL 35 1HG2 VAL 35 -5.329 3.810 -0.883 238 HG23 VAL 35 2HG2 VAL 35 -3.642 4.208 -1.233 239 H ILE 36 H ILE 36 -6.345 0.062 0.233 240 HA ILE 36 HA ILE 36 -4.615 -1.927 1.525 241 HB ILE 36 HB ILE 36 -7.625 -1.886 1.693 242 HG12 ILE 36 2HG1 ILE 36 -5.702 -1.681 3.996 243 HG13 ILE 36 1HG1 ILE 36 -6.174 -0.246 3.098 244 HG21 ILE 36 1HG2 ILE 36 -7.295 -3.800 3.238 245 HG22 ILE 36 2HG2 ILE 36 -5.584 -3.817 2.803 246 HG23 ILE 36 3HG2 ILE 36 -6.810 -4.153 1.579 247 HD11 ILE 36 3HD1 ILE 36 -7.970 -2.098 4.628 248 HD12 ILE 36 1HD1 ILE 36 -8.528 -0.759 3.624 249 HD13 ILE 36 2HD1 ILE 36 -7.528 -0.440 5.042 250 H GLY 37 H GLY 37 -4.296 -3.780 0.460 251 HA2 GLY 37 2HA GLY 37 -5.509 -3.997 -2.200 252 HA3 GLY 37 1HA GLY 37 -4.009 -4.751 -1.698 253 H PHE 38 H PHE 38 -7.445 -5.055 -1.873 254 HA PHE 38 HA PHE 38 -7.537 -7.471 -0.273 255 HB2 PHE 38 2HB PHE 38 -9.658 -6.165 -2.002 256 HB3 PHE 38 1HB PHE 38 -9.919 -7.538 -0.929 257 HD1 PHE 38 1HD PHE 38 -8.766 -6.983 1.532 258 HD2 PHE 38 2HD PHE 38 -10.538 -4.216 -1.167 259 HE1 PHE 38 1HE PHE 38 -9.224 -5.457 3.406 260 HE2 PHE 38 2HE PHE 38 -11.001 -2.687 0.704 261 HZ PHE 38 HZ PHE 38 -10.343 -3.304 2.991 262 H PHE 39 H PHE 39 -6.223 -8.936 -1.270 263 HA PHE 39 HA PHE 39 -6.893 -9.671 -4.041 264 HB2 PHE 39 2HB PHE 39 -4.336 -10.294 -2.570 265 HB3 PHE 39 1HB PHE 39 -4.647 -10.459 -4.296 266 HD1 PHE 39 1HD PHE 39 -5.867 -7.936 -5.019 267 HD2 PHE 39 2HD PHE 39 -2.677 -8.718 -2.315 268 HE1 PHE 39 1HE PHE 39 -4.993 -5.672 -5.402 269 HE2 PHE 39 2HE PHE 39 -1.798 -6.452 -2.692 270 HZ PHE 39 HZ PHE 39 -2.958 -4.925 -4.237 271 H GLN 40 H GLN 40 -7.419 -11.725 -4.557 272 HA GLN 40 HA GLN 40 -7.923 -13.583 -2.378 273 HB2 GLN 40 2HB GLN 40 -8.495 -13.802 -5.346 274 HB3 GLN 40 1HB GLN 40 -9.001 -14.969 -4.132 275 HG2 GLN 40 2HG GLN 40 -10.369 -13.248 -3.060 276 HG3 GLN 40 1HG GLN 40 -9.871 -12.092 -4.294 277 HE21 GLN 40 1HE2 GLN 40 -11.980 -11.766 -4.983 278 HE22 GLN 40 2HE2 GLN 40 -12.846 -12.949 -5.896 279 H ASP 41 H ASP 41 -5.410 -12.740 -4.250 280 HA ASP 41 HA ASP 41 -3.940 -15.174 -3.721 281 HB2 ASP 41 2HB ASP 41 -4.991 -15.523 -5.979 282 HB3 ASP 41 1HB ASP 41 -4.125 -14.095 -6.549 283 H LEU 42 H LEU 42 -1.983 -14.557 -2.974 284 HA LEU 42 HA LEU 42 -1.154 -11.804 -3.476 285 HB2 LEU 42 2HB LEU 42 -0.114 -13.829 -1.498 286 HB3 LEU 42 1HB LEU 42 0.480 -12.184 -1.654 287 HG LEU 42 HG LEU 42 -2.322 -12.969 -0.854 288 HD11 LEU 42 1HD1 LEU 42 -0.031 -11.845 0.749 289 HD12 LEU 42 2HD1 LEU 42 -0.716 -13.465 0.889 290 HD13 LEU 42 3HD1 LEU 42 -1.680 -12.057 1.334 291 HD21 LEU 42 3HD2 LEU 42 -1.000 -10.267 -1.098 292 HD22 LEU 42 1HD2 LEU 42 -2.567 -10.561 -0.342 293 HD23 LEU 42 2HD2 LEU 42 -2.345 -10.880 -2.062 294 H GLU 43 H GLU 43 -0.878 -13.276 -5.703 295 HA GLU 43 HA GLU 43 2.037 -13.391 -5.995 296 HB2 GLU 43 2HB GLU 43 0.138 -15.412 -7.203 297 HB3 GLU 43 1HB GLU 43 1.880 -15.367 -7.421 298 HG2 GLU 43 2HG GLU 43 2.232 -15.880 -5.105 299 HG3 GLU 43 1HG GLU 43 0.501 -15.787 -4.786 300 H ILE 44 H ILE 44 -0.638 -11.865 -6.750 301 HA ILE 44 HA ILE 44 -0.310 -11.631 -9.628 302 HB ILE 44 HB ILE 44 -2.130 -9.829 -9.283 303 HG12 ILE 44 2HG1 ILE 44 -2.771 -11.310 -6.783 304 HG13 ILE 44 1HG1 ILE 44 -1.583 -10.016 -6.703 305 HG21 ILE 44 1HG2 ILE 44 -2.872 -12.664 -8.583 306 HG22 ILE 44 2HG2 ILE 44 -2.412 -12.144 -10.210 307 HG23 ILE 44 3HG2 ILE 44 -3.847 -11.466 -9.438 308 HD11 ILE 44 3HD1 ILE 44 -3.619 -9.032 -6.146 309 HD12 ILE 44 1HD1 ILE 44 -4.471 -9.858 -7.449 310 HD13 ILE 44 2HD1 ILE 44 -3.333 -8.566 -7.823 311 HA PRO 45 HA PRO 45 2.305 -8.087 -9.913 312 HB2 PRO 45 2HB PRO 45 0.061 -6.791 -11.402 313 HB3 PRO 45 1HB PRO 45 1.762 -6.930 -11.847 314 HG2 PRO 45 2HG PRO 45 -0.035 -8.491 -13.002 315 HG3 PRO 45 1HG PRO 45 1.534 -9.158 -12.508 316 HD2 PRO 45 2HD PRO 45 -1.145 -9.451 -11.213 317 HD3 PRO 45 1HD PRO 45 0.167 -10.635 -11.369 318 H ALA 46 H ALA 46 -1.014 -7.629 -8.906 319 HA ALA 46 HA ALA 46 -0.845 -4.949 -8.076 320 HB1 ALA 46 1HB ALA 46 -2.921 -6.355 -8.438 321 HB2 ALA 46 2HB ALA 46 -2.926 -5.280 -7.039 322 HB3 ALA 46 3HB ALA 46 -2.633 -7.006 -6.824 323 H VAL 47 H VAL 47 -0.107 -7.961 -6.368 324 HA VAL 47 HA VAL 47 0.046 -6.845 -3.793 325 HB VAL 47 HB VAL 47 1.801 -9.148 -4.559 326 HG11 VAL 47 1HG1 VAL 47 1.870 -8.311 -2.265 327 HG12 VAL 47 2HG1 VAL 47 1.186 -9.934 -2.330 328 HG13 VAL 47 3HG1 VAL 47 0.127 -8.539 -2.124 329 HG21 VAL 47 3HG2 VAL 47 -1.180 -9.308 -4.137 330 HG22 VAL 47 1HG2 VAL 47 -0.081 -10.661 -4.393 331 HG23 VAL 47 2HG2 VAL 47 -0.362 -9.499 -5.686 332 HA PRO 48 HA PRO 48 4.866 -6.429 -4.492 333 HB2 PRO 48 2HB PRO 48 4.968 -6.199 -7.446 334 HB3 PRO 48 1HB PRO 48 6.069 -7.037 -6.343 335 HG2 PRO 48 2HG PRO 48 4.383 -8.401 -7.896 336 HG3 PRO 48 1HG PRO 48 4.730 -8.928 -6.238 337 HD2 PRO 48 2HD PRO 48 2.342 -7.482 -7.305 338 HD3 PRO 48 1HD PRO 48 2.422 -8.792 -6.117 339 H ILE 49 H ILE 49 2.637 -5.042 -6.833 340 HA ILE 49 HA ILE 49 3.873 -2.511 -7.030 341 HB ILE 49 HB ILE 49 1.227 -3.633 -7.792 342 HG12 ILE 49 2HG1 ILE 49 3.026 -1.991 -9.514 343 HG13 ILE 49 1HG1 ILE 49 3.514 -3.624 -9.081 344 HG21 ILE 49 1HG2 ILE 49 0.773 -1.279 -8.783 345 HG22 ILE 49 2HG2 ILE 49 1.816 -0.733 -7.470 346 HG23 ILE 49 3HG2 ILE 49 0.341 -1.629 -7.111 347 HD11 ILE 49 3HD1 ILE 49 0.825 -3.077 -10.267 348 HD12 ILE 49 1HD1 ILE 49 1.739 -4.586 -10.222 349 HD13 ILE 49 2HD1 ILE 49 2.261 -3.272 -11.276 350 H LEU 50 H LEU 50 1.446 -3.842 -4.860 351 HA LEU 50 HA LEU 50 0.802 -1.319 -3.662 352 HB2 LEU 50 2HB LEU 50 -0.834 -3.076 -3.575 353 HB3 LEU 50 1HB LEU 50 0.295 -4.160 -2.793 354 HG LEU 50 HG LEU 50 0.303 -2.582 -0.827 355 HD11 LEU 50 1HD1 LEU 50 -2.109 -1.406 -2.194 356 HD12 LEU 50 2HD1 LEU 50 -0.537 -0.617 -2.071 357 HD13 LEU 50 3HD1 LEU 50 -1.464 -0.969 -0.612 358 HD21 LEU 50 3HD2 LEU 50 -1.097 -4.703 -1.079 359 HD22 LEU 50 1HD2 LEU 50 -2.458 -3.622 -1.397 360 HD23 LEU 50 2HD2 LEU 50 -1.599 -3.534 0.145 361 H HIS 51 H HIS 51 2.730 -4.133 -2.643 362 HA HIS 51 HA HIS 51 3.687 -3.108 -0.245 363 HB2 HIS 51 2HB HIS 51 4.917 -5.029 -2.223 364 HB3 HIS 51 1HB HIS 51 5.708 -4.612 -0.704 365 HD1 HIS 51 1HD HIS 51 5.379 -6.475 0.873 366 HD2 HIS 51 2HD HIS 51 1.968 -5.763 -1.390 367 HE1 HIS 51 1HE HIS 51 3.656 -8.096 1.727 368 HE2 HIS 51 2HE HIS 51 1.612 -7.675 0.315 369 H SER 52 H SER 52 4.428 -2.268 -3.492 370 HA SER 52 HA SER 52 6.908 -0.921 -2.842 371 HB2 SER 52 2HB SER 52 5.284 -1.054 -5.394 372 HB3 SER 52 1HB SER 52 6.814 -0.188 -5.242 373 HG SER 52 HG SER 52 6.824 -2.471 -6.041 374 H MET 53 H MET 53 3.595 -0.019 -3.779 375 HA MET 53 HA MET 53 3.963 2.756 -3.761 376 HB2 MET 53 2HB MET 53 1.659 2.951 -3.904 377 HB3 MET 53 1HB MET 53 1.918 1.328 -4.524 378 HG2 MET 53 2HG MET 53 0.117 1.068 -3.114 379 HG3 MET 53 1HG MET 53 1.474 0.566 -2.113 380 HE1 MET 53 3HE MET 53 0.405 0.828 0.193 381 HE2 MET 53 1HE MET 53 -1.139 1.117 -0.609 382 HE3 MET 53 2HE MET 53 -0.600 2.193 0.682 383 H VAL 54 H VAL 54 3.672 0.436 -1.244 384 HA VAL 54 HA VAL 54 2.828 1.907 0.927 385 HB VAL 54 HB VAL 54 4.856 -0.305 0.748 386 HG11 VAL 54 1HG1 VAL 54 4.635 -0.572 3.167 387 HG12 VAL 54 2HG1 VAL 54 3.654 0.892 3.234 388 HG13 VAL 54 3HG1 VAL 54 5.347 0.985 2.746 389 HG21 VAL 54 3HG2 VAL 54 2.813 -1.228 0.228 390 HG22 VAL 54 1HG2 VAL 54 1.932 -0.133 1.296 391 HG23 VAL 54 2HG2 VAL 54 2.878 -1.455 1.975 392 H GLN 55 H GLN 55 6.136 1.575 -0.327 393 HA GLN 55 HA GLN 55 7.211 3.398 1.611 394 HB2 GLN 55 2HB GLN 55 8.578 2.546 -0.917 395 HB3 GLN 55 1HB GLN 55 9.290 2.983 0.633 396 HG2 GLN 55 2HG GLN 55 8.473 0.940 1.625 397 HG3 GLN 55 1HG GLN 55 7.646 0.514 0.126 398 HE21 GLN 55 1HE2 GLN 55 9.686 -0.950 1.594 399 HE22 GLN 55 2HE2 GLN 55 10.999 -1.182 0.495 400 H LYS 56 H LYS 56 5.454 3.767 -1.198 401 HA LYS 56 HA LYS 56 6.706 6.291 -1.972 402 HB2 LYS 56 2HB LYS 56 4.376 4.808 -3.202 403 HB3 LYS 56 1HB LYS 56 5.144 6.243 -3.864 404 HG2 LYS 56 2HG LYS 56 7.216 5.017 -4.172 405 HG3 LYS 56 1HG LYS 56 6.479 3.574 -3.471 406 HD2 LYS 56 2HD LYS 56 6.369 3.285 -5.811 407 HD3 LYS 56 1HD LYS 56 4.741 3.752 -5.310 408 HE2 LYS 56 2HE LYS 56 5.267 5.004 -7.267 409 HE3 LYS 56 1HE LYS 56 5.338 6.109 -5.894 410 HZ1 LYS 56 3HZ LYS 56 7.695 4.809 -7.143 411 HZ2 LYS 56 1HZ LYS 56 7.723 5.944 -5.887 412 HZ3 LYS 56 2HZ LYS 56 7.203 6.400 -7.431 413 H PHE 57 H PHE 57 4.123 5.051 -0.126 414 HA PHE 57 HA PHE 57 3.116 7.771 0.306 415 HB2 PHE 57 2HB PHE 57 1.516 5.326 -0.381 416 HB3 PHE 57 1HB PHE 57 0.797 6.669 0.506 417 HD1 PHE 57 2HD PHE 57 0.535 8.859 -0.555 418 HD2 PHE 57 1HD PHE 57 2.028 5.506 -2.706 419 HE1 PHE 57 2HE PHE 57 0.110 10.034 -2.672 420 HE2 PHE 57 1HE PHE 57 1.608 6.676 -4.828 421 HZ PHE 57 HZ PHE 57 0.646 8.942 -4.814 422 HA PRO 58 HA PRO 58 4.266 5.385 4.260 423 HB2 PRO 58 2HB PRO 58 5.277 7.751 5.355 424 HB3 PRO 58 1HB PRO 58 6.240 6.457 4.636 425 HG2 PRO 58 2HG PRO 58 5.284 9.014 3.417 426 HG3 PRO 58 1HG PRO 58 6.848 8.196 3.227 427 HD2 PRO 58 2HD PRO 58 5.021 8.044 1.305 428 HD3 PRO 58 1HD PRO 58 5.969 6.609 1.748 429 H GLY 59 H GLY 59 3.042 8.695 3.764 430 HA2 GLY 59 2HA GLY 59 1.667 8.979 6.177 431 HA3 GLY 59 1HA GLY 59 1.246 9.798 4.677 432 H VAL 60 H VAL 60 0.622 7.603 3.100 433 HA VAL 60 HA VAL 60 -2.058 7.092 3.834 434 HB VAL 60 HB VAL 60 -0.233 5.987 1.713 435 HG11 VAL 60 1HG1 VAL 60 -2.133 4.729 0.785 436 HG12 VAL 60 2HG1 VAL 60 -3.084 5.125 2.217 437 HG13 VAL 60 3HG1 VAL 60 -1.647 4.112 2.366 438 HG21 VAL 60 3HG2 VAL 60 -1.898 7.080 0.233 439 HG22 VAL 60 1HG2 VAL 60 -1.090 8.199 1.333 440 HG23 VAL 60 2HG2 VAL 60 -2.737 7.666 1.670 441 H SER 61 H SER 61 -3.036 5.219 4.636 442 HA SER 61 HA SER 61 -1.321 3.596 6.296 443 HB2 SER 61 2HB SER 61 -3.487 4.402 7.151 444 HB3 SER 61 1HB SER 61 -4.317 3.463 5.913 445 HG SER 61 HG SER 61 -3.566 2.655 8.295 446 H PHE 62 H PHE 62 -0.146 2.234 5.064 447 HA PHE 62 HA PHE 62 -1.096 0.796 2.838 448 HB2 PHE 62 2HB PHE 62 0.943 -0.720 3.439 449 HB3 PHE 62 1HB PHE 62 1.221 0.941 2.914 450 HD1 PHE 62 1HD PHE 62 1.173 -1.311 5.827 451 HD2 PHE 62 2HD PHE 62 2.146 2.571 4.383 452 HE1 PHE 62 1HE PHE 62 2.420 -0.858 7.898 453 HE2 PHE 62 2HE PHE 62 3.395 3.030 6.451 454 HZ PHE 62 HZ PHE 62 3.534 1.314 8.212 455 H GLY 63 H GLY 63 -2.298 -0.971 2.692 456 HA2 GLY 63 2HA GLY 63 -2.380 -2.861 4.923 457 HA3 GLY 63 1HA GLY 63 -3.897 -2.123 4.426 458 H ILE 64 H ILE 64 -3.434 -4.877 4.382 459 HA ILE 64 HA ILE 64 -4.116 -5.428 1.654 460 HB ILE 64 HB ILE 64 -1.499 -5.434 1.918 461 HG12 ILE 64 2HG1 ILE 64 -2.988 -7.644 0.499 462 HG13 ILE 64 1HG1 ILE 64 -2.738 -6.017 -0.117 463 HG21 ILE 64 1HG2 ILE 64 -2.201 -8.202 2.874 464 HG22 ILE 64 2HG2 ILE 64 -1.399 -6.948 3.816 465 HG23 ILE 64 3HG2 ILE 64 -0.592 -7.652 2.415 466 HD11 ILE 64 3HD1 ILE 64 -0.293 -6.438 -0.058 467 HD12 ILE 64 1HD1 ILE 64 -1.180 -7.482 -1.172 468 HD13 ILE 64 2HD1 ILE 64 -0.639 -8.112 0.383 469 H SER 65 H SER 65 -5.256 -7.338 1.451 470 HA SER 65 HA SER 65 -5.351 -9.152 3.727 471 HB2 SER 65 2HB SER 65 -7.031 -7.515 4.349 472 HB3 SER 65 1HB SER 65 -7.780 -7.634 2.758 473 HG SER 65 HG SER 65 -7.506 -10.012 4.149 474 H THR 66 H THR 66 -6.541 -11.104 3.316 475 HA THR 66 HA THR 66 -7.117 -11.676 0.504 476 HB THR 66 HB THR 66 -5.910 -13.826 0.641 477 HG1 THR 66 1HG THR 66 -5.758 -14.221 2.816 478 HG21 THR 66 3HG2 THR 66 -4.091 -11.507 1.273 479 HG22 THR 66 1HG2 THR 66 -4.849 -11.772 -0.298 480 HG23 THR 66 2HG2 THR 66 -3.701 -12.951 0.339 481 H ASP 67 H ASP 67 -8.064 -11.714 3.637 482 HA ASP 67 HA ASP 67 -9.334 -14.227 3.904 483 HB2 ASP 67 2HB ASP 67 -8.821 -12.680 5.796 484 HB3 ASP 67 1HB ASP 67 -10.097 -11.612 5.221 485 H SER 68 H SER 68 -11.378 -14.897 3.441 486 HA SER 68 HA SER 68 -12.683 -13.741 1.232 487 HB2 SER 68 2HB SER 68 -13.725 -15.779 3.214 488 HB3 SER 68 1HB SER 68 -14.434 -15.428 1.637 489 HG SER 68 HG SER 68 -12.815 -16.437 0.662 490 H GLU 69 H GLU 69 -13.600 -13.838 4.677 491 HA GLU 69 HA GLU 69 -16.024 -12.542 4.551 492 HB2 GLU 69 2HB GLU 69 -13.971 -12.121 6.719 493 HB3 GLU 69 1HB GLU 69 -15.714 -11.929 6.854 494 HG2 GLU 69 2HG GLU 69 -16.035 -14.303 6.534 495 HG3 GLU 69 1HG GLU 69 -14.303 -14.527 6.290 496 H VAL 70 H VAL 70 -12.800 -11.070 4.675 497 HA VAL 70 HA VAL 70 -13.808 -8.409 4.767 498 HB VAL 70 HB VAL 70 -11.072 -9.472 4.064 499 HG11 VAL 70 1HG1 VAL 70 -11.312 -7.382 2.910 500 HG12 VAL 70 2HG1 VAL 70 -10.301 -7.122 4.333 501 HG13 VAL 70 3HG1 VAL 70 -11.992 -6.616 4.347 502 HG21 VAL 70 3HG2 VAL 70 -12.261 -8.236 6.528 503 HG22 VAL 70 1HG2 VAL 70 -10.521 -8.360 6.273 504 HG23 VAL 70 2HG2 VAL 70 -11.507 -9.821 6.359 505 H LEU 71 H LEU 71 -12.269 -10.303 2.173 506 HA LEU 71 HA LEU 71 -12.618 -8.426 0.134 507 HB2 LEU 71 2HB LEU 71 -12.227 -11.384 0.208 508 HB3 LEU 71 1HB LEU 71 -12.664 -10.627 -1.313 509 HG LEU 71 HG LEU 71 -10.675 -9.348 -1.375 510 HD11 LEU 71 1HD1 LEU 71 -10.547 -8.590 0.892 511 HD12 LEU 71 2HD1 LEU 71 -9.026 -9.377 0.474 512 HD13 LEU 71 3HD1 LEU 71 -10.212 -10.221 1.467 513 HD21 LEU 71 3HD2 LEU 71 -10.049 -12.118 -0.366 514 HD22 LEU 71 1HD2 LEU 71 -8.909 -11.063 -1.207 515 HD23 LEU 71 2HD2 LEU 71 -10.353 -11.645 -2.038 516 H THR 72 H THR 72 -14.899 -10.274 1.811 517 HA THR 72 HA THR 72 -16.899 -10.183 -0.306 518 HB THR 72 HB THR 72 -17.082 -11.207 2.538 519 HG1 THR 72 1HG THR 72 -16.300 -12.319 0.132 520 HG21 THR 72 3HG2 THR 72 -19.264 -10.484 1.798 521 HG22 THR 72 1HG2 THR 72 -19.208 -12.246 1.747 522 HG23 THR 72 2HG2 THR 72 -19.063 -11.313 0.255 523 H HIS 73 H HIS 73 -16.244 -8.781 2.869 524 HA HIS 73 HA HIS 73 -18.605 -7.300 3.154 525 HB2 HIS 73 2HB HIS 73 -16.967 -7.711 4.977 526 HB3 HIS 73 1HB HIS 73 -15.845 -6.606 4.192 527 HD1 HIS 73 1HD HIS 73 -18.705 -6.708 6.490 528 HD2 HIS 73 2HD HIS 73 -16.728 -3.855 4.205 529 HE1 HIS 73 1HE HIS 73 -19.446 -4.485 7.402 530 HE2 HIS 73 2HE HIS 73 -18.186 -2.774 6.047 531 H TYR 74 H TYR 74 -15.539 -6.544 1.580 532 HA TYR 74 HA TYR 74 -16.498 -3.904 0.810 533 HB2 TYR 74 2HB TYR 74 -13.869 -5.327 0.378 534 HB3 TYR 74 1HB TYR 74 -14.221 -3.731 -0.276 535 HD1 TYR 74 2HD TYR 74 -13.934 -5.641 2.897 536 HD2 TYR 74 1HD TYR 74 -13.931 -1.809 1.048 537 HE1 TYR 74 2HE TYR 74 -13.194 -4.628 5.011 538 HE2 TYR 74 1HE TYR 74 -13.190 -0.785 3.158 539 HH TYR 74 HH TYR 74 -12.013 -2.592 5.764 540 H ASN 75 H ASN 75 -17.302 -6.763 -0.227 541 HA ASN 75 HA ASN 75 -18.097 -7.658 -2.156 542 HB2 ASN 75 2HB ASN 75 -18.118 -4.743 -2.939 543 HB3 ASN 75 1HB ASN 75 -18.857 -6.025 -3.897 544 HD21 ASN 75 1HD2 ASN 75 -20.691 -7.068 -3.119 545 HD22 ASN 75 2HD2 ASN 75 -21.660 -6.396 -1.856 546 H ILE 76 H ILE 76 -15.161 -7.241 -1.816 547 HA ILE 76 HA ILE 76 -13.934 -6.596 -4.258 548 HB ILE 76 HB ILE 76 -12.935 -8.566 -2.198 549 HG12 ILE 76 2HG1 ILE 76 -13.521 -6.469 -1.126 550 HG13 ILE 76 1HG1 ILE 76 -11.775 -6.630 -1.202 551 HG21 ILE 76 1HG2 ILE 76 -10.701 -7.755 -3.029 552 HG22 ILE 76 2HG2 ILE 76 -11.568 -7.004 -4.367 553 HG23 ILE 76 3HG2 ILE 76 -11.623 -8.751 -4.153 554 HD11 ILE 76 3HD1 ILE 76 -12.595 -4.354 -1.706 555 HD12 ILE 76 1HD1 ILE 76 -13.412 -5.000 -3.128 556 HD13 ILE 76 2HD1 ILE 76 -11.653 -5.067 -3.013 557 H THR 77 H THR 77 -13.993 -7.609 -6.157 558 HA THR 77 HA THR 77 -14.180 -10.530 -6.225 559 HB THR 77 HB THR 77 -15.859 -10.461 -8.028 560 HG1 THR 77 1HG THR 77 -15.561 -7.707 -7.624 561 HG21 THR 77 3HG2 THR 77 -16.763 -9.052 -5.516 562 HG22 THR 77 1HG2 THR 77 -16.586 -10.796 -5.711 563 HG23 THR 77 2HG2 THR 77 -17.797 -9.924 -6.650 564 H GLY 78 H GLY 78 -11.822 -9.553 -6.634 565 HA2 GLY 78 2HA GLY 78 -10.833 -10.403 -8.968 566 HA3 GLY 78 1HA GLY 78 -11.417 -8.807 -9.416 567 H ASN 79 H ASN 79 -9.835 -9.920 -6.430 568 HA ASN 79 HA ASN 79 -8.048 -9.079 -5.287 569 HB2 ASN 79 2HB ASN 79 -6.930 -8.814 -8.083 570 HB3 ASN 79 1HB ASN 79 -5.992 -8.857 -6.596 571 HD21 ASN 79 1HD2 ASN 79 -5.736 -10.793 -5.504 572 HD22 ASN 79 2HD2 ASN 79 -6.103 -12.319 -6.227 573 H THR 80 H THR 80 -10.007 -7.229 -5.632 574 HA THR 80 HA THR 80 -9.171 -4.780 -6.790 575 HB THR 80 HB THR 80 -11.272 -5.356 -4.688 576 HG1 THR 80 1HG THR 80 -12.636 -5.582 -6.381 577 HG21 THR 80 3HG2 THR 80 -10.649 -2.990 -4.654 578 HG22 THR 80 1HG2 THR 80 -12.267 -3.209 -5.321 579 HG23 THR 80 2HG2 THR 80 -10.904 -2.891 -6.395 580 H ILE 81 H ILE 81 -8.593 -2.841 -5.778 581 HA ILE 81 HA ILE 81 -7.383 -3.073 -3.097 582 HB ILE 81 HB ILE 81 -6.476 -1.408 -5.457 583 HG12 ILE 81 2HG1 ILE 81 -5.141 -3.650 -3.926 584 HG13 ILE 81 1HG1 ILE 81 -5.779 -3.748 -5.564 585 HG21 ILE 81 1HG2 ILE 81 -6.309 -0.142 -3.358 586 HG22 ILE 81 2HG2 ILE 81 -4.726 -0.531 -4.024 587 HG23 ILE 81 3HG2 ILE 81 -5.355 -1.450 -2.657 588 HD11 ILE 81 3HD1 ILE 81 -3.433 -2.127 -4.620 589 HD12 ILE 81 1HD1 ILE 81 -4.127 -2.024 -6.239 590 HD13 ILE 81 2HD1 ILE 81 -3.411 -3.537 -5.678 591 H CYS 82 H CYS 82 -8.505 -1.905 -1.639 592 HA CYS 82 HA CYS 82 -10.117 0.316 -2.661 593 HB2 CYS 82 2HB CYS 82 -10.400 -1.293 -0.137 594 HB3 CYS 82 1HB CYS 82 -11.412 0.085 -0.550 595 HG CYS 82 HG CYS 82 -11.579 -1.796 -3.138 596 H LEU 83 H LEU 83 -9.836 2.336 -2.084 597 HA LEU 83 HA LEU 83 -7.874 2.947 0.021 598 HB2 LEU 83 2HB LEU 83 -7.007 3.876 -1.905 599 HB3 LEU 83 1HB LEU 83 -8.580 4.241 -2.573 600 HG LEU 83 HG LEU 83 -8.820 6.173 -1.169 601 HD11 LEU 83 1HD1 LEU 83 -6.128 5.670 0.059 602 HD12 LEU 83 2HD1 LEU 83 -7.621 5.111 0.812 603 HD13 LEU 83 3HD1 LEU 83 -7.364 6.835 0.541 604 HD21 LEU 83 3HD2 LEU 83 -6.103 5.996 -2.453 605 HD22 LEU 83 1HD2 LEU 83 -6.831 7.497 -1.882 606 HD23 LEU 83 2HD2 LEU 83 -7.602 6.582 -3.177 607 H PHE 84 H PHE 84 -9.061 3.242 1.854 608 HA PHE 84 HA PHE 84 -11.534 4.794 1.707 609 HB2 PHE 84 2HB PHE 84 -11.228 2.555 3.010 610 HB3 PHE 84 1HB PHE 84 -10.462 3.568 4.227 611 HD1 PHE 84 1HD PHE 84 -11.832 5.630 5.023 612 HD2 PHE 84 2HD PHE 84 -13.512 2.258 3.043 613 HE1 PHE 84 1HE PHE 84 -14.044 6.199 5.937 614 HE2 PHE 84 2HE PHE 84 -15.727 2.822 3.954 615 HZ PHE 84 HZ PHE 84 -15.995 4.794 5.405 616 H ARG 85 H ARG 85 -11.598 6.881 2.247 617 HA ARG 85 HA ARG 85 -9.261 8.005 3.645 618 HB2 ARG 85 2HB ARG 85 -11.137 9.847 2.293 619 HB3 ARG 85 1HB ARG 85 -9.379 9.855 2.346 620 HG2 ARG 85 2HG ARG 85 -9.314 8.056 0.695 621 HG3 ARG 85 1HG ARG 85 -11.085 8.071 0.625 622 HD2 ARG 85 2HD ARG 85 -9.189 10.263 -0.199 623 HD3 ARG 85 1HD ARG 85 -10.269 9.327 -1.236 624 HE ARG 85 HE ARG 85 -11.752 10.702 0.741 625 HH11 ARG 85 1HH1 ARG 85 -9.972 11.225 -2.209 626 HH12 ARG 85 2HH1 ARG 85 -10.880 12.629 -2.661 627 HH21 ARG 85 1HH2 ARG 85 -12.955 12.552 0.153 628 HH22 ARG 85 2HH2 ARG 85 -12.574 13.382 -1.320 629 H LEU 86 H LEU 86 -10.009 7.516 5.701 630 HA LEU 86 HA LEU 86 -12.235 7.662 7.058 631 HB2 LEU 86 2HB LEU 86 -10.385 7.319 8.368 632 HB3 LEU 86 1HB LEU 86 -9.539 8.716 7.737 633 HG LEU 86 HG LEU 86 -11.071 10.179 9.048 634 HD11 LEU 86 1HD1 LEU 86 -12.392 9.168 10.847 635 HD12 LEU 86 2HD1 LEU 86 -11.986 7.562 10.241 636 HD13 LEU 86 3HD1 LEU 86 -12.960 8.657 9.258 637 HD21 LEU 86 3HD2 LEU 86 -9.490 8.134 10.598 638 HD22 LEU 86 1HD2 LEU 86 -10.035 9.692 11.222 639 HD23 LEU 86 2HD2 LEU 86 -8.874 9.635 9.894 640 H VAL 87 H VAL 87 -10.424 10.715 6.661 641 HA VAL 87 HA VAL 87 -12.120 12.490 7.770 642 HB VAL 87 HB VAL 87 -11.437 13.981 5.636 643 HG11 VAL 87 1HG1 VAL 87 -10.827 14.416 7.952 644 HG12 VAL 87 2HG1 VAL 87 -9.428 14.597 6.894 645 HG13 VAL 87 3HG1 VAL 87 -9.604 13.147 7.882 646 HG21 VAL 87 3HG2 VAL 87 -10.485 12.219 4.338 647 HG22 VAL 87 1HG2 VAL 87 -9.520 11.661 5.707 648 HG23 VAL 87 2HG2 VAL 87 -9.159 13.211 4.945 649 H ASP 88 H ASP 88 -12.277 11.825 4.260 650 HA ASP 88 HA ASP 88 -14.981 12.889 4.230 651 HB2 ASP 88 2HB ASP 88 -13.070 12.081 2.042 652 HB3 ASP 88 1HB ASP 88 -14.739 12.548 1.722 653 H ASN 89 H ASN 89 -13.972 10.144 5.227 654 HA ASN 89 HA ASN 89 -14.625 7.962 5.217 655 HB2 ASN 89 2HB ASN 89 -16.964 7.672 5.592 656 HB3 ASN 89 1HB ASN 89 -16.518 9.243 6.255 657 HD21 ASN 89 1HD2 ASN 89 -18.282 7.569 3.787 658 HD22 ASN 89 2HD2 ASN 89 -19.161 8.938 3.202 659 H GLU 90 H GLU 90 -13.849 8.985 2.572 660 HA GLU 90 HA GLU 90 -15.631 7.823 0.649 661 HB2 GLU 90 2HB GLU 90 -12.759 8.717 0.372 662 HB3 GLU 90 1HB GLU 90 -13.807 8.259 -0.962 663 HG2 GLU 90 2HG GLU 90 -14.271 10.555 0.917 664 HG3 GLU 90 1HG GLU 90 -13.619 10.676 -0.714 665 H GLN 91 H GLN 91 -14.987 6.084 -0.823 666 HA GLN 91 HA GLN 91 -13.031 4.193 0.203 667 HB2 GLN 91 2HB GLN 91 -15.155 3.621 1.350 668 HB3 GLN 91 1HB GLN 91 -15.920 3.407 -0.219 669 HG2 GLN 91 2HG GLN 91 -13.564 1.833 -0.173 670 HG3 GLN 91 1HG GLN 91 -14.458 1.528 1.315 671 HE21 GLN 91 1HE2 GLN 91 -15.008 -0.551 0.706 672 HE22 GLN 91 2HE2 GLN 91 -16.175 -0.881 -0.525 673 H LEU 92 H LEU 92 -11.935 4.723 -1.724 674 HA LEU 92 HA LEU 92 -13.115 4.373 -4.300 675 HB2 LEU 92 2HB LEU 92 -10.209 4.481 -3.469 676 HB3 LEU 92 1HB LEU 92 -10.775 4.516 -5.125 677 HG LEU 92 HG LEU 92 -10.228 6.743 -4.556 678 HD11 LEU 92 1HD1 LEU 92 -12.375 7.929 -4.671 679 HD12 LEU 92 2HD1 LEU 92 -13.211 6.413 -4.335 680 HD13 LEU 92 3HD1 LEU 92 -12.274 6.593 -5.818 681 HD21 LEU 92 3HD2 LEU 92 -10.865 7.895 -2.609 682 HD22 LEU 92 1HD2 LEU 92 -10.295 6.316 -2.070 683 HD23 LEU 92 2HD2 LEU 92 -12.026 6.648 -2.154 684 H ASN 93 H ASN 93 -12.873 2.629 -5.742 685 HA ASN 93 HA ASN 93 -11.777 0.178 -4.534 686 HB2 ASN 93 2HB ASN 93 -13.647 -0.989 -5.916 687 HB3 ASN 93 1HB ASN 93 -14.040 -0.270 -4.362 688 HD21 ASN 93 1HD2 ASN 93 -15.231 1.645 -4.300 689 HD22 ASN 93 2HD2 ASN 93 -16.135 2.199 -5.664 690 H LEU 94 H LEU 94 -9.888 0.232 -5.678 691 HA LEU 94 HA LEU 94 -9.843 0.408 -8.550 692 HB2 LEU 94 2HB LEU 94 -7.995 1.059 -6.836 693 HB3 LEU 94 1HB LEU 94 -7.620 -0.651 -6.816 694 HG LEU 94 HG LEU 94 -7.721 0.665 -9.470 695 HD11 LEU 94 1HD1 LEU 94 -5.508 1.101 -7.465 696 HD12 LEU 94 2HD1 LEU 94 -6.528 2.339 -8.201 697 HD13 LEU 94 3HD1 LEU 94 -5.383 1.436 -9.193 698 HD21 LEU 94 3HD2 LEU 94 -7.257 -1.730 -9.184 699 HD22 LEU 94 1HD2 LEU 94 -5.854 -1.331 -8.193 700 HD23 LEU 94 2HD2 LEU 94 -5.892 -0.872 -9.897 701 H GLU 95 H GLU 95 -11.404 -1.272 -8.943 702 HA GLU 95 HA GLU 95 -10.866 -3.971 -8.112 703 HB2 GLU 95 2HB GLU 95 -12.922 -3.011 -10.094 704 HB3 GLU 95 1HB GLU 95 -12.907 -4.544 -9.231 705 HG2 GLU 95 2HG GLU 95 -13.354 -3.486 -7.164 706 HG3 GLU 95 1HG GLU 95 -13.085 -1.884 -7.848 707 H ASP 96 H ASP 96 -11.721 -5.423 -10.279 708 HA ASP 96 HA ASP 96 -9.391 -6.109 -11.570 709 HB2 ASP 96 2HB ASP 96 -11.297 -7.592 -11.499 710 HB3 ASP 96 1HB ASP 96 -12.247 -6.486 -12.486 711 H GLU 97 H GLU 97 -11.856 -3.801 -12.638 712 HA GLU 97 HA GLU 97 -10.993 -3.399 -15.252 713 HB2 GLU 97 2HB GLU 97 -13.063 -2.430 -14.336 714 HB3 GLU 97 1HB GLU 97 -12.112 -1.346 -13.331 715 HG2 GLU 97 2HG GLU 97 -12.979 -0.200 -15.285 716 HG3 GLU 97 1HG GLU 97 -11.216 -0.265 -15.318 717 H ASP 98 H ASP 98 -9.409 -2.755 -12.352 718 HA ASP 98 HA ASP 98 -7.370 -1.163 -13.742 719 HB2 ASP 98 2HB ASP 98 -8.343 -0.777 -10.898 720 HB3 ASP 98 1HB ASP 98 -7.000 0.090 -11.644 721 H ILE 99 H ILE 99 -8.091 -3.909 -11.871 722 HA ILE 99 HA ILE 99 -5.404 -4.208 -10.787 723 HB ILE 99 HB ILE 99 -7.870 -5.937 -10.560 724 HG12 ILE 99 2HG1 ILE 99 -7.798 -3.767 -9.320 725 HG13 ILE 99 1HG1 ILE 99 -7.979 -5.185 -8.298 726 HG21 ILE 99 1HG2 ILE 99 -5.112 -6.373 -9.432 727 HG22 ILE 99 2HG2 ILE 99 -6.036 -7.450 -10.481 728 HG23 ILE 99 3HG2 ILE 99 -6.556 -7.175 -8.817 729 HD11 ILE 99 3HD1 ILE 99 -5.582 -5.075 -7.775 730 HD12 ILE 99 1HD1 ILE 99 -6.455 -3.619 -7.297 731 HD13 ILE 99 2HD1 ILE 99 -5.456 -3.612 -8.752 732 H GLU 100 H GLU 100 -7.385 -5.426 -13.390 733 HA GLU 100 HA GLU 100 -5.990 -7.743 -14.061 734 HB2 GLU 100 2HB GLU 100 -8.158 -7.108 -15.048 735 HB3 GLU 100 1HB GLU 100 -7.372 -5.802 -15.924 736 HG2 GLU 100 2HG GLU 100 -6.007 -7.455 -17.125 737 HG3 GLU 100 1HG GLU 100 -6.858 -8.746 -16.279 738 H SER 101 H SER 101 -5.302 -4.378 -14.740 739 HA SER 101 HA SER 101 -2.684 -5.181 -15.808 740 HB2 SER 101 2HB SER 101 -4.455 -2.999 -16.942 741 HB3 SER 101 1HB SER 101 -2.808 -3.353 -17.467 742 HG SER 101 HG SER 101 -5.134 -4.927 -17.756 743 H ILE 102 H ILE 102 -3.259 -4.461 -13.164 744 HA ILE 102 HA ILE 102 -2.830 -1.727 -12.617 745 HB ILE 102 HB ILE 102 -3.792 -3.244 -10.956 746 HG12 ILE 102 2HG1 ILE 102 -2.292 -2.542 -9.012 747 HG13 ILE 102 1HG1 ILE 102 -1.220 -1.844 -10.218 748 HG21 ILE 102 1HG2 ILE 102 -2.270 -4.765 -9.702 749 HG22 ILE 102 2HG2 ILE 102 -1.030 -4.466 -10.921 750 HG23 ILE 102 3HG2 ILE 102 -2.544 -5.252 -11.375 751 HD11 ILE 102 3HD1 ILE 102 -4.087 -1.075 -9.765 752 HD12 ILE 102 1HD1 ILE 102 -3.009 -0.375 -10.969 753 HD13 ILE 102 2HD1 ILE 102 -2.672 -0.163 -9.251 754 H ASP 103 H ASP 103 -1.026 -0.589 -12.103 755 HA ASP 103 HA ASP 103 1.576 -1.920 -12.231 756 HB2 ASP 103 2HB ASP 103 0.930 0.620 -13.740 757 HB3 ASP 103 1HB ASP 103 2.489 -0.198 -13.688 758 H ALA 104 H ALA 104 3.227 -0.831 -11.029 759 HA ALA 104 HA ALA 104 2.467 0.319 -8.660 760 HB1 ALA 104 1HB ALA 104 4.694 -0.528 -8.993 761 HB2 ALA 104 2HB ALA 104 4.771 1.145 -8.438 762 HB3 ALA 104 3HB ALA 104 5.050 0.767 -10.139 763 H THR 105 H THR 105 3.097 1.895 -11.727 764 HA THR 105 HA THR 105 3.020 4.567 -10.858 765 HB THR 105 HB THR 105 2.189 3.403 -13.523 766 HG1 THR 105 1HG THR 105 4.511 3.350 -12.551 767 HG21 THR 105 3HG2 THR 105 1.215 5.572 -13.306 768 HG22 THR 105 1HG2 THR 105 2.627 5.716 -14.354 769 HG23 THR 105 2HG2 THR 105 2.719 6.242 -12.671 770 H LYS 106 H LYS 106 0.484 2.408 -12.063 771 HA LYS 106 HA LYS 106 -1.639 4.235 -11.972 772 HB2 LYS 106 2HB LYS 106 -1.702 1.227 -11.640 773 HB3 LYS 106 1HB LYS 106 -3.093 2.243 -11.992 774 HG2 LYS 106 2HG LYS 106 -2.171 2.857 -14.126 775 HG3 LYS 106 1HG LYS 106 -0.675 1.989 -13.768 776 HD2 LYS 106 2HD LYS 106 -1.970 0.579 -15.183 777 HD3 LYS 106 1HD LYS 106 -2.068 -0.100 -13.558 778 HE2 LYS 106 2HE LYS 106 -4.243 1.048 -13.258 779 HE3 LYS 106 1HE LYS 106 -4.148 1.596 -14.932 780 HZ1 LYS 106 3HZ LYS 106 -4.268 -1.226 -14.010 781 HZ2 LYS 106 1HZ LYS 106 -4.085 -0.742 -15.621 782 HZ3 LYS 106 2HZ LYS 106 -5.505 -0.369 -14.782 783 H LEU 107 H LEU 107 -0.886 1.632 -9.616 784 HA LEU 107 HA LEU 107 -2.766 2.265 -7.709 785 HB2 LEU 107 2HB LEU 107 -0.587 0.557 -7.843 786 HB3 LEU 107 1HB LEU 107 -0.188 1.613 -6.506 787 HG LEU 107 HG LEU 107 -2.446 -0.342 -6.752 788 HD11 LEU 107 1HD1 LEU 107 -1.653 -0.860 -4.416 789 HD12 LEU 107 2HD1 LEU 107 -0.305 0.240 -4.716 790 HD13 LEU 107 3HD1 LEU 107 -0.505 -1.206 -5.708 791 HD21 LEU 107 3HD2 LEU 107 -3.564 1.703 -6.099 792 HD22 LEU 107 1HD2 LEU 107 -2.356 2.000 -4.850 793 HD23 LEU 107 2HD2 LEU 107 -3.450 0.624 -4.711 794 H SER 108 H SER 108 0.588 3.456 -7.851 795 HA SER 108 HA SER 108 0.424 5.237 -5.704 796 HB2 SER 108 2HB SER 108 2.139 5.432 -8.190 797 HB3 SER 108 1HB SER 108 2.406 6.323 -6.693 798 HG SER 108 HG SER 108 2.268 3.900 -5.892 799 H ARG 109 H ARG 109 -0.578 5.545 -9.034 800 HA ARG 109 HA ARG 109 -0.916 8.361 -9.026 801 HB2 ARG 109 2HB ARG 109 -0.673 6.957 -11.080 802 HB3 ARG 109 1HB ARG 109 -2.273 6.311 -10.782 803 HG2 ARG 109 2HG ARG 109 -1.852 9.258 -11.060 804 HG3 ARG 109 1HG ARG 109 -1.995 8.222 -12.481 805 HD2 ARG 109 2HD ARG 109 -4.143 7.358 -11.491 806 HD3 ARG 109 1HD ARG 109 -4.016 8.650 -10.291 807 HE ARG 109 HE ARG 109 -3.807 9.958 -12.659 808 HH11 ARG 109 1HH1 ARG 109 -6.127 7.708 -11.352 809 HH12 ARG 109 2HH1 ARG 109 -7.459 8.370 -12.237 810 HH21 ARG 109 1HH2 ARG 109 -5.555 10.835 -13.826 811 HH22 ARG 109 2HH2 ARG 109 -7.135 10.148 -13.642 812 H PHE 110 H PHE 110 -3.384 5.800 -9.179 813 HA PHE 110 HA PHE 110 -5.628 7.228 -8.641 814 HB2 PHE 110 2HB PHE 110 -4.824 4.445 -7.871 815 HB3 PHE 110 1HB PHE 110 -6.357 5.098 -7.295 816 HD1 PHE 110 1HD PHE 110 -4.419 4.235 -10.313 817 HD2 PHE 110 2HD PHE 110 -8.221 5.302 -8.729 818 HE1 PHE 110 1HE PHE 110 -5.471 3.652 -12.458 819 HE2 PHE 110 2HE PHE 110 -9.280 4.720 -10.872 820 HZ PHE 110 HZ PHE 110 -7.905 3.895 -12.739 821 H ILE 111 H ILE 111 -3.313 5.992 -6.259 822 HA ILE 111 HA ILE 111 -4.661 6.932 -3.971 823 HB ILE 111 HB ILE 111 -1.704 6.476 -4.425 824 HG12 ILE 111 2HG1 ILE 111 -3.664 4.775 -2.889 825 HG13 ILE 111 1HG1 ILE 111 -3.341 4.534 -4.598 826 HG21 ILE 111 1HG2 ILE 111 -2.041 8.031 -2.585 827 HG22 ILE 111 2HG2 ILE 111 -1.513 6.460 -1.980 828 HG23 ILE 111 3HG2 ILE 111 -3.207 6.929 -1.849 829 HD11 ILE 111 3HD1 ILE 111 -1.031 4.050 -4.140 830 HD12 ILE 111 1HD1 ILE 111 -2.064 3.018 -3.152 831 HD13 ILE 111 2HD1 ILE 111 -1.265 4.415 -2.431 832 H GLU 112 H GLU 112 -1.921 8.322 -5.774 833 HA GLU 112 HA GLU 112 -1.729 10.731 -4.420 834 HB2 GLU 112 2HB GLU 112 -0.147 9.849 -6.175 835 HB3 GLU 112 1HB GLU 112 -1.313 10.363 -7.391 836 HG2 GLU 112 2HG GLU 112 -1.058 12.664 -6.722 837 HG3 GLU 112 1HG GLU 112 0.007 12.196 -5.399 838 H ILE 113 H ILE 113 -4.171 9.576 -6.471 839 HA ILE 113 HA ILE 113 -5.187 12.190 -7.196 840 HB ILE 113 HB ILE 113 -5.613 9.432 -8.087 841 HG12 ILE 113 2HG1 ILE 113 -5.909 10.529 -10.248 842 HG13 ILE 113 1HG1 ILE 113 -5.988 12.100 -9.458 843 HG21 ILE 113 1HG2 ILE 113 -7.878 9.877 -8.992 844 HG22 ILE 113 2HG2 ILE 113 -7.961 11.306 -7.959 845 HG23 ILE 113 3HG2 ILE 113 -7.822 9.700 -7.240 846 HD11 ILE 113 3HD1 ILE 113 -3.682 11.876 -8.743 847 HD12 ILE 113 1HD1 ILE 113 -3.814 11.687 -10.491 848 HD13 ILE 113 2HD1 ILE 113 -3.600 10.268 -9.463 849 H ASN 114 H ASN 114 -5.987 9.534 -5.002 850 HA ASN 114 HA ASN 114 -8.091 11.256 -3.865 851 HB2 ASN 114 2HB ASN 114 -8.177 8.262 -4.236 852 HB3 ASN 114 1HB ASN 114 -9.345 9.179 -3.284 853 HD21 ASN 114 1HD2 ASN 114 -9.632 7.558 -5.747 854 HD22 ASN 114 2HD2 ASN 114 -10.388 8.607 -6.892 855 H SER 115 H SER 115 -5.282 10.949 -3.042 856 HA SER 115 HA SER 115 -5.395 9.462 -0.563 857 HB2 SER 115 2HB SER 115 -3.082 10.234 -0.245 858 HB3 SER 115 1HB SER 115 -3.303 9.560 -1.862 859 HG SER 115 HG SER 115 -2.178 11.712 -1.556 860 H LEU 116 H LEU 116 -7.339 11.492 -0.800 861 HA LEU 116 HA LEU 116 -6.488 13.770 0.744 862 HB2 LEU 116 2HB LEU 116 -9.259 12.928 -0.090 863 HB3 LEU 116 1HB LEU 116 -8.802 14.494 0.558 864 HG LEU 116 HG LEU 116 -7.959 13.342 -2.101 865 HD11 LEU 116 1HD1 LEU 116 -10.277 14.108 -2.034 866 HD12 LEU 116 2HD1 LEU 116 -9.281 15.161 -3.038 867 HD13 LEU 116 3HD1 LEU 116 -9.745 15.672 -1.415 868 HD21 LEU 116 3HD2 LEU 116 -6.150 14.659 -1.176 869 HD22 LEU 116 1HD2 LEU 116 -7.262 15.977 -0.809 870 HD23 LEU 116 2HD2 LEU 116 -6.925 15.548 -2.486 Start of MODEL 36 1 H GLU 1 H GLU 1 11.302 -21.329 1.119 2 HA GLU 1 HA GLU 1 14.098 -21.592 1.499 3 HB2 GLU 1 2HB GLU 1 13.302 -19.179 -0.142 4 HB3 GLU 1 1HB GLU 1 14.841 -19.337 0.693 5 HG2 GLU 1 2HG GLU 1 15.228 -19.903 -1.562 6 HG3 GLU 1 1HG GLU 1 15.247 -21.413 -0.654 7 H VAL 2 H VAL 2 14.623 -20.783 3.450 8 HA VAL 2 HA VAL 2 12.901 -18.704 4.614 9 HB VAL 2 HB VAL 2 12.908 -19.871 6.776 10 HG11 VAL 2 1HG1 VAL 2 11.818 -21.542 4.514 11 HG12 VAL 2 2HG1 VAL 2 11.013 -20.171 5.275 12 HG13 VAL 2 3HG1 VAL 2 11.317 -21.640 6.201 13 HG21 VAL 2 3HG2 VAL 2 14.232 -22.108 5.246 14 HG22 VAL 2 1HG2 VAL 2 13.591 -22.239 6.883 15 HG23 VAL 2 2HG2 VAL 2 14.945 -21.158 6.549 16 H GLU 3 H GLU 3 16.005 -20.055 4.138 17 HA GLU 3 HA GLU 3 17.222 -17.788 5.487 18 HB2 GLU 3 2HB GLU 3 18.902 -19.339 6.602 19 HB3 GLU 3 1HB GLU 3 17.293 -19.289 7.310 20 HG2 GLU 3 2HG GLU 3 16.721 -21.373 6.202 21 HG3 GLU 3 1HG GLU 3 18.304 -21.413 5.430 22 H LYS 4 H LYS 4 18.078 -16.985 3.650 23 HA LYS 4 HA LYS 4 20.417 -18.242 2.590 24 HB2 LYS 4 2HB LYS 4 18.748 -19.479 1.311 25 HB3 LYS 4 1HB LYS 4 18.000 -17.972 0.794 26 HG2 LYS 4 2HG LYS 4 20.011 -17.375 -0.438 27 HG3 LYS 4 1HG LYS 4 20.798 -18.857 0.109 28 HD2 LYS 4 2HD LYS 4 18.260 -18.781 -1.522 29 HD3 LYS 4 1HD LYS 4 19.875 -18.989 -2.203 30 HE2 LYS 4 2HE LYS 4 18.533 -20.813 -0.210 31 HE3 LYS 4 1HE LYS 4 18.754 -21.136 -1.930 32 HZ1 LYS 4 3HZ LYS 4 20.911 -20.820 0.088 33 HZ2 LYS 4 1HZ LYS 4 21.163 -21.041 -1.571 34 HZ3 LYS 4 2HZ LYS 4 20.437 -22.263 -0.656 35 H SER 5 H SER 5 17.933 -15.767 2.151 36 HA SER 5 HA SER 5 18.018 -13.588 1.507 37 HB2 SER 5 2HB SER 5 19.740 -12.237 2.559 38 HB3 SER 5 1HB SER 5 19.215 -13.488 3.685 39 HG SER 5 HG SER 5 21.629 -13.258 2.270 40 H SER 6 H SER 6 20.046 -11.896 0.706 41 HA SER 6 HA SER 6 21.173 -11.237 -1.155 42 HB2 SER 6 2HB SER 6 22.850 -12.846 -0.327 43 HB3 SER 6 1HB SER 6 22.058 -14.133 -1.233 44 HG SER 6 HG SER 6 23.952 -12.955 -2.205 45 H ASP 7 H ASP 7 18.444 -12.080 -1.442 46 HA ASP 7 HA ASP 7 18.442 -13.186 -4.170 47 HB2 ASP 7 2HB ASP 7 16.161 -13.000 -2.188 48 HB3 ASP 7 1HB ASP 7 16.079 -13.732 -3.787 49 H GLY 8 H GLY 8 17.100 -10.613 -2.143 50 HA2 GLY 8 2HA GLY 8 16.994 -8.858 -4.453 51 HA3 GLY 8 1HA GLY 8 15.439 -9.233 -3.725 52 HA PRO 9 HA PRO 9 17.187 -5.416 -1.663 53 HB2 PRO 9 2HB PRO 9 14.322 -4.687 -1.696 54 HB3 PRO 9 1HB PRO 9 15.729 -3.739 -2.185 55 HG2 PRO 9 2HG PRO 9 14.042 -4.747 -4.000 56 HG3 PRO 9 1HG PRO 9 15.788 -4.670 -4.303 57 HD2 PRO 9 2HD PRO 9 14.105 -7.011 -3.496 58 HD3 PRO 9 1HD PRO 9 15.441 -6.934 -4.664 59 H GLY 10 H GLY 10 16.173 -4.331 0.390 60 HA2 GLY 10 2HA GLY 10 15.945 -6.366 2.361 61 HA3 GLY 10 1HA GLY 10 15.755 -4.640 2.631 62 H ALA 11 H ALA 11 13.772 -3.843 2.985 63 HA ALA 11 HA ALA 11 11.370 -4.904 1.971 64 HB1 ALA 11 1HB ALA 11 10.396 -5.826 4.024 65 HB2 ALA 11 2HB ALA 11 11.942 -5.622 4.847 66 HB3 ALA 11 3HB ALA 11 11.801 -6.753 3.502 67 H ALA 12 H ALA 12 12.854 -3.278 4.733 68 HA ALA 12 HA ALA 12 12.470 -1.289 5.745 69 HB1 ALA 12 1HB ALA 12 11.804 0.547 4.414 70 HB2 ALA 12 2HB ALA 12 10.933 -0.493 3.287 71 HB3 ALA 12 3HB ALA 12 12.696 -0.544 3.351 72 H GLN 13 H GLN 13 9.448 -1.287 3.894 73 HA GLN 13 HA GLN 13 7.952 -1.894 6.335 74 HB2 GLN 13 2HB GLN 13 6.416 -0.005 5.912 75 HB3 GLN 13 1HB GLN 13 8.052 0.528 6.277 76 HG2 GLN 13 2HG GLN 13 8.454 0.813 3.854 77 HG3 GLN 13 1HG GLN 13 6.765 0.390 3.558 78 HE21 GLN 13 1HE2 GLN 13 8.956 2.780 4.802 79 HE22 GLN 13 2HE2 GLN 13 7.816 4.074 4.902 80 H GLU 14 H GLU 14 6.026 -2.935 6.008 81 HA GLU 14 HA GLU 14 5.222 -3.419 3.218 82 HB2 GLU 14 2HB GLU 14 4.788 -5.744 3.722 83 HB3 GLU 14 1HB GLU 14 6.449 -5.364 4.157 84 HG2 GLU 14 2HG GLU 14 5.667 -5.081 6.518 85 HG3 GLU 14 1HG GLU 14 4.107 -5.718 5.999 86 HA PRO 15 HA PRO 15 1.120 -2.364 4.398 87 HB2 PRO 15 2HB PRO 15 -0.408 -4.222 3.104 88 HB3 PRO 15 1HB PRO 15 0.360 -2.846 2.306 89 HG2 PRO 15 2HG PRO 15 1.235 -5.695 2.437 90 HG3 PRO 15 1HG PRO 15 1.297 -4.560 1.078 91 HD2 PRO 15 2HD PRO 15 3.468 -5.171 2.582 92 HD3 PRO 15 1HD PRO 15 3.244 -3.587 1.815 93 H THR 16 H THR 16 -0.392 -2.731 5.932 94 HA THR 16 HA THR 16 0.092 -4.654 7.924 95 HB THR 16 HB THR 16 -2.450 -3.077 7.476 96 HG1 THR 16 1HG THR 16 -0.750 -1.634 7.659 97 HG21 THR 16 3HG2 THR 16 -2.625 -3.293 9.968 98 HG22 THR 16 1HG2 THR 16 -1.299 -4.452 9.901 99 HG23 THR 16 2HG2 THR 16 -2.821 -4.808 9.088 100 H TRP 17 H TRP 17 -1.115 -6.439 8.606 101 HA TRP 17 HA TRP 17 -2.435 -7.879 6.437 102 HB2 TRP 17 2HB TRP 17 -1.441 -8.776 9.147 103 HB3 TRP 17 1HB TRP 17 -2.258 -9.833 8.002 104 HD1 TRP 17 HD TRP 17 -0.910 -9.875 5.453 105 HE1 TRP 17 1HE TRP 17 1.620 -10.166 5.080 106 HE3 TRP 17 3HE TRP 17 0.760 -8.467 10.077 107 HZ2 TRP 17 2HZ TRP 17 4.007 -9.842 6.551 108 HZ3 TRP 17 3HZ TRP 17 3.180 -8.487 10.512 109 HH2 TRP 17 HH TRP 17 4.770 -9.163 8.786 110 H LEU 18 H LEU 18 -4.506 -7.135 6.317 111 HA LEU 18 HA LEU 18 -6.125 -6.983 8.753 112 HB2 LEU 18 2HB LEU 18 -6.857 -6.252 5.919 113 HB3 LEU 18 1HB LEU 18 -7.771 -5.868 7.367 114 HG LEU 18 HG LEU 18 -5.023 -4.805 6.724 115 HD11 LEU 18 1HD1 LEU 18 -7.737 -3.527 6.526 116 HD12 LEU 18 2HD1 LEU 18 -6.614 -3.858 5.209 117 HD13 LEU 18 3HD1 LEU 18 -6.209 -2.653 6.430 118 HD21 LEU 18 3HD2 LEU 18 -5.300 -4.931 9.090 119 HD22 LEU 18 1HD2 LEU 18 -6.927 -4.256 8.990 120 HD23 LEU 18 2HD2 LEU 18 -5.530 -3.250 8.609 121 H THR 19 H THR 19 -5.899 -9.388 8.885 122 HA THR 19 HA THR 19 -7.141 -11.083 6.984 123 HB THR 19 HB THR 19 -6.936 -12.840 8.645 124 HG1 THR 19 1HG THR 19 -7.254 -10.872 10.373 125 HG21 THR 19 3HG2 THR 19 -4.552 -10.988 8.724 126 HG22 THR 19 1HG2 THR 19 -4.906 -12.152 7.446 127 HG23 THR 19 2HG2 THR 19 -4.534 -12.715 9.074 128 H ASP 20 H ASP 20 -8.523 -8.922 9.155 129 HA ASP 20 HA ASP 20 -11.088 -10.327 8.931 130 HB2 ASP 20 2HB ASP 20 -10.014 -9.091 11.473 131 HB3 ASP 20 1HB ASP 20 -11.655 -9.696 11.262 132 H VAL 21 H VAL 21 -12.932 -9.030 8.937 133 HA VAL 21 HA VAL 21 -12.721 -6.584 7.613 134 HB VAL 21 HB VAL 21 -15.101 -7.465 9.248 135 HG11 VAL 21 1HG1 VAL 21 -15.251 -5.185 8.461 136 HG12 VAL 21 2HG1 VAL 21 -16.367 -6.204 7.551 137 HG13 VAL 21 3HG1 VAL 21 -14.845 -5.695 6.821 138 HG21 VAL 21 3HG2 VAL 21 -14.236 -8.283 6.483 139 HG22 VAL 21 1HG2 VAL 21 -15.878 -8.494 7.093 140 HG23 VAL 21 2HG2 VAL 21 -14.532 -9.322 7.876 141 HA PRO 22 HA PRO 22 -13.811 -4.480 11.915 142 HB2 PRO 22 2HB PRO 22 -12.673 -5.839 14.038 143 HB3 PRO 22 1HB PRO 22 -14.384 -5.905 13.601 144 HG2 PRO 22 2HG PRO 22 -12.186 -7.823 12.952 145 HG3 PRO 22 1HG PRO 22 -13.860 -8.157 13.437 146 HD2 PRO 22 2HD PRO 22 -13.097 -8.357 10.885 147 HD3 PRO 22 1HD PRO 22 -14.694 -7.707 11.313 148 H ALA 23 H ALA 23 -10.864 -6.481 11.745 149 HA ALA 23 HA ALA 23 -9.151 -4.532 12.858 150 HB1 ALA 23 1HB ALA 23 -8.642 -6.981 12.670 151 HB2 ALA 23 2HB ALA 23 -7.335 -5.915 12.153 152 HB3 ALA 23 3HB ALA 23 -8.343 -6.720 10.950 153 H ALA 24 H ALA 24 -10.180 -5.276 9.616 154 HA ALA 24 HA ALA 24 -8.390 -3.627 8.200 155 HB1 ALA 24 1HB ALA 24 -11.204 -4.488 7.502 156 HB2 ALA 24 2HB ALA 24 -9.709 -5.310 7.057 157 HB3 ALA 24 3HB ALA 24 -10.077 -3.722 6.382 158 H MET 25 H MET 25 -11.775 -3.050 9.128 159 HA MET 25 HA MET 25 -11.876 -0.348 8.389 160 HB2 MET 25 2HB MET 25 -13.508 -1.723 10.528 161 HB3 MET 25 1HB MET 25 -13.931 -0.245 9.674 162 HG2 MET 25 2HG MET 25 -14.014 -1.527 7.568 163 HG3 MET 25 1HG MET 25 -13.691 -2.996 8.482 164 HE1 MET 25 3HE MET 25 -15.935 0.049 9.613 165 HE2 MET 25 1HE MET 25 -17.508 -0.448 8.990 166 HE3 MET 25 2HE MET 25 -16.203 -0.050 7.873 167 H GLU 26 H GLU 26 -10.658 -1.914 11.257 168 HA GLU 26 HA GLU 26 -10.711 0.386 12.936 169 HB2 GLU 26 2HB GLU 26 -9.385 -2.289 13.055 170 HB3 GLU 26 1HB GLU 26 -8.813 -1.015 14.125 171 HG2 GLU 26 2HG GLU 26 -11.210 -0.733 14.861 172 HG3 GLU 26 1HG GLU 26 -11.550 -2.228 13.994 173 H PHE 27 H PHE 27 -8.112 -1.192 11.082 174 HA PHE 27 HA PHE 27 -6.140 0.705 11.659 175 HB2 PHE 27 2HB PHE 27 -6.507 -1.392 9.591 176 HB3 PHE 27 1HB PHE 27 -5.327 -0.133 9.241 177 HD1 PHE 27 2HD PHE 27 -3.405 0.213 10.774 178 HD2 PHE 27 1HD PHE 27 -6.064 -3.085 11.187 179 HE1 PHE 27 2HE PHE 27 -1.754 -0.938 12.189 180 HE2 PHE 27 1HE PHE 27 -4.418 -4.241 12.604 181 HZ PHE 27 HZ PHE 27 -2.258 -3.166 13.106 182 H ILE 28 H ILE 28 -8.706 0.627 9.283 183 HA ILE 28 HA ILE 28 -7.823 2.901 7.799 184 HB ILE 28 HB ILE 28 -10.474 1.491 8.020 185 HG12 ILE 28 2HG1 ILE 28 -8.705 1.887 5.607 186 HG13 ILE 28 1HG1 ILE 28 -8.490 0.541 6.726 187 HG21 ILE 28 1HG2 ILE 28 -11.008 3.831 7.702 188 HG22 ILE 28 2HG2 ILE 28 -11.302 2.947 6.207 189 HG23 ILE 28 3HG2 ILE 28 -9.856 3.940 6.373 190 HD11 ILE 28 3HD1 ILE 28 -11.083 1.092 5.320 191 HD12 ILE 28 1HD1 ILE 28 -10.593 -0.373 6.171 192 HD13 ILE 28 2HD1 ILE 28 -9.819 0.065 4.646 193 H ALA 29 H ALA 29 -9.945 2.380 10.551 194 HA ALA 29 HA ALA 29 -10.883 5.069 10.709 195 HB1 ALA 29 1HB ALA 29 -11.755 4.387 12.917 196 HB2 ALA 29 2HB ALA 29 -10.903 2.848 12.758 197 HB3 ALA 29 3HB ALA 29 -12.200 3.261 11.635 198 H ALA 30 H ALA 30 -8.012 3.474 11.647 199 HA ALA 30 HA ALA 30 -7.330 5.508 13.640 200 HB1 ALA 30 1HB ALA 30 -6.903 3.145 14.172 201 HB2 ALA 30 2HB ALA 30 -5.427 4.110 14.173 202 HB3 ALA 30 3HB ALA 30 -5.790 3.055 12.808 203 H THR 31 H THR 31 -7.536 6.121 10.775 204 HA THR 31 HA THR 31 -5.147 7.652 10.508 205 HB THR 31 HB THR 31 -4.246 5.488 9.790 206 HG1 THR 31 1HG THR 31 -4.474 6.853 7.367 207 HG21 THR 31 3HG2 THR 31 -5.146 4.186 8.117 208 HG22 THR 31 1HG2 THR 31 -6.022 5.532 7.392 209 HG23 THR 31 2HG2 THR 31 -6.600 4.806 8.891 210 H GLU 32 H GLU 32 -5.241 9.149 8.784 211 HA GLU 32 HA GLU 32 -7.873 9.954 8.043 212 HB2 GLU 32 2HB GLU 32 -5.735 11.379 8.390 213 HB3 GLU 32 1HB GLU 32 -5.363 10.957 6.722 214 HG2 GLU 32 2HG GLU 32 -7.447 11.952 5.984 215 HG3 GLU 32 1HG GLU 32 -7.868 12.332 7.655 216 H VAL 33 H VAL 33 -5.137 8.658 6.160 217 HA VAL 33 HA VAL 33 -7.072 7.851 4.088 218 HB VAL 33 HB VAL 33 -4.188 8.581 3.585 219 HG11 VAL 33 1HG1 VAL 33 -5.052 7.015 1.961 220 HG12 VAL 33 2HG1 VAL 33 -4.904 8.607 1.214 221 HG13 VAL 33 3HG1 VAL 33 -6.491 8.012 1.717 222 HG21 VAL 33 3HG2 VAL 33 -5.349 10.573 4.253 223 HG22 VAL 33 1HG2 VAL 33 -6.700 10.195 3.181 224 HG23 VAL 33 2HG2 VAL 33 -5.124 10.615 2.504 225 H ALA 34 H ALA 34 -7.014 5.757 3.441 226 HA ALA 34 HA ALA 34 -4.780 4.084 4.335 227 HB1 ALA 34 1HB ALA 34 -6.421 2.346 5.073 228 HB2 ALA 34 2HB ALA 34 -7.690 3.558 4.901 229 HB3 ALA 34 3HB ALA 34 -6.394 3.802 6.070 230 H VAL 35 H VAL 35 -4.057 2.829 2.773 231 HA VAL 35 HA VAL 35 -5.886 2.145 0.572 232 HB VAL 35 HB VAL 35 -2.913 2.635 0.524 233 HG11 VAL 35 1HG1 VAL 35 -4.654 1.420 -1.627 234 HG12 VAL 35 2HG1 VAL 35 -3.325 0.626 -0.782 235 HG13 VAL 35 3HG1 VAL 35 -3.000 1.983 -1.860 236 HG21 VAL 35 3HG2 VAL 35 -4.313 4.593 0.358 237 HG22 VAL 35 1HG2 VAL 35 -5.281 3.829 -0.904 238 HG23 VAL 35 2HG2 VAL 35 -3.596 4.257 -1.221 239 H ILE 36 H ILE 36 -6.304 0.094 0.241 240 HA ILE 36 HA ILE 36 -4.571 -1.910 1.506 241 HB ILE 36 HB ILE 36 -7.582 -1.852 1.664 242 HG12 ILE 36 2HG1 ILE 36 -5.664 -1.681 3.972 243 HG13 ILE 36 1HG1 ILE 36 -6.128 -0.235 3.089 244 HG21 ILE 36 1HG2 ILE 36 -7.232 -3.768 3.233 245 HG22 ILE 36 2HG2 ILE 36 -5.548 -3.822 2.703 246 HG23 ILE 36 3HG2 ILE 36 -6.849 -4.120 1.548 247 HD11 ILE 36 3HD1 ILE 36 -7.495 -0.431 5.020 248 HD12 ILE 36 1HD1 ILE 36 -7.925 -2.091 4.610 249 HD13 ILE 36 2HD1 ILE 36 -8.491 -0.760 3.601 250 H GLY 37 H GLY 37 -4.280 -3.774 0.441 251 HA2 GLY 37 2HA GLY 37 -5.486 -3.969 -2.226 252 HA3 GLY 37 1HA GLY 37 -3.987 -4.728 -1.728 253 H PHE 38 H PHE 38 -7.394 -5.057 -1.979 254 HA PHE 38 HA PHE 38 -7.502 -7.460 -0.342 255 HB2 PHE 38 2HB PHE 38 -9.624 -6.144 -2.059 256 HB3 PHE 38 1HB PHE 38 -9.886 -7.507 -0.976 257 HD1 PHE 38 2HD PHE 38 -8.728 -6.946 1.478 258 HD2 PHE 38 1HD PHE 38 -10.471 -4.179 -1.239 259 HE1 PHE 38 2HE PHE 38 -9.171 -5.402 3.341 260 HE2 PHE 38 1HE PHE 38 -10.919 -2.633 0.619 261 HZ PHE 38 HZ PHE 38 -10.270 -3.244 2.912 262 H PHE 39 H PHE 39 -6.247 -8.971 -1.327 263 HA PHE 39 HA PHE 39 -6.917 -9.665 -4.109 264 HB2 PHE 39 2HB PHE 39 -4.363 -10.352 -2.668 265 HB3 PHE 39 1HB PHE 39 -4.688 -10.458 -4.396 266 HD1 PHE 39 2HD PHE 39 -5.785 -7.949 -5.147 267 HD2 PHE 39 1HD PHE 39 -2.767 -8.759 -2.262 268 HE1 PHE 39 2HE PHE 39 -4.886 -5.686 -5.461 269 HE2 PHE 39 1HE PHE 39 -1.863 -6.491 -2.568 270 HZ PHE 39 HZ PHE 39 -2.922 -4.951 -4.171 271 H GLN 40 H GLN 40 -7.373 -11.735 -4.667 272 HA GLN 40 HA GLN 40 -7.964 -13.590 -2.506 273 HB2 GLN 40 2HB GLN 40 -8.430 -13.799 -5.493 274 HB3 GLN 40 1HB GLN 40 -8.977 -14.973 -4.303 275 HG2 GLN 40 2HG GLN 40 -10.384 -13.266 -3.265 276 HG3 GLN 40 1HG GLN 40 -9.840 -12.094 -4.464 277 HE21 GLN 40 1HE2 GLN 40 -10.455 -15.448 -5.208 278 HE22 GLN 40 2HE2 GLN 40 -11.863 -15.179 -6.171 279 H ASP 41 H ASP 41 -5.411 -12.767 -4.382 280 HA ASP 41 HA ASP 41 -3.954 -15.195 -3.757 281 HB2 ASP 41 2HB ASP 41 -4.999 -15.447 -6.086 282 HB3 ASP 41 1HB ASP 41 -3.914 -14.150 -6.597 283 H LEU 42 H LEU 42 -1.994 -14.593 -2.992 284 HA LEU 42 HA LEU 42 -1.154 -11.837 -3.468 285 HB2 LEU 42 2HB LEU 42 -0.138 -13.868 -1.482 286 HB3 LEU 42 1HB LEU 42 0.446 -12.219 -1.622 287 HG LEU 42 HG LEU 42 -2.356 -13.032 -0.856 288 HD11 LEU 42 1HD1 LEU 42 -1.750 -12.122 1.341 289 HD12 LEU 42 2HD1 LEU 42 -0.099 -11.874 0.774 290 HD13 LEU 42 3HD1 LEU 42 -0.752 -13.507 0.899 291 HD21 LEU 42 3HD2 LEU 42 -2.439 -10.954 -2.044 292 HD22 LEU 42 1HD2 LEU 42 -1.059 -10.326 -1.143 293 HD23 LEU 42 2HD2 LEU 42 -2.594 -10.606 -0.322 294 H GLU 43 H GLU 43 -0.846 -13.289 -5.696 295 HA GLU 43 HA GLU 43 2.073 -13.401 -5.955 296 HB2 GLU 43 2HB GLU 43 0.185 -15.454 -7.132 297 HB3 GLU 43 1HB GLU 43 1.919 -15.378 -7.407 298 HG2 GLU 43 2HG GLU 43 2.314 -15.807 -5.044 299 HG3 GLU 43 1HG GLU 43 0.574 -15.878 -4.767 300 H ILE 44 H ILE 44 -0.576 -11.867 -6.739 301 HA ILE 44 HA ILE 44 -0.215 -11.660 -9.621 302 HB ILE 44 HB ILE 44 -2.068 -9.866 -9.284 303 HG12 ILE 44 2HG1 ILE 44 -2.800 -11.438 -6.878 304 HG13 ILE 44 1HG1 ILE 44 -1.573 -10.193 -6.687 305 HG21 ILE 44 1HG2 ILE 44 -2.765 -12.740 -8.699 306 HG22 ILE 44 2HG2 ILE 44 -2.290 -12.155 -10.297 307 HG23 ILE 44 3HG2 ILE 44 -3.753 -11.535 -9.529 308 HD11 ILE 44 3HD1 ILE 44 -4.400 -9.858 -7.621 309 HD12 ILE 44 1HD1 ILE 44 -3.182 -8.585 -7.706 310 HD13 ILE 44 2HD1 ILE 44 -3.663 -9.240 -6.142 311 HA PRO 45 HA PRO 45 2.372 -8.095 -9.891 312 HB2 PRO 45 2HB PRO 45 0.128 -6.821 -11.402 313 HB3 PRO 45 1HB PRO 45 1.837 -6.944 -11.829 314 HG2 PRO 45 2HG PRO 45 0.056 -8.524 -12.995 315 HG3 PRO 45 1HG PRO 45 1.638 -9.163 -12.510 316 HD2 PRO 45 2HD PRO 45 -1.033 -9.536 -11.229 317 HD3 PRO 45 1HD PRO 45 0.324 -10.671 -11.364 318 H ALA 46 H ALA 46 -0.966 -7.654 -8.919 319 HA ALA 46 HA ALA 46 -0.792 -4.972 -8.081 320 HB1 ALA 46 1HB ALA 46 -2.625 -7.055 -6.927 321 HB2 ALA 46 2HB ALA 46 -2.883 -6.294 -8.497 322 HB3 ALA 46 3HB ALA 46 -2.887 -5.314 -7.030 323 H VAL 47 H VAL 47 -0.112 -7.997 -6.375 324 HA VAL 47 HA VAL 47 0.012 -6.901 -3.793 325 HB VAL 47 HB VAL 47 1.722 -9.230 -4.625 326 HG11 VAL 47 1HG1 VAL 47 1.216 -10.011 -2.364 327 HG12 VAL 47 2HG1 VAL 47 0.232 -8.576 -2.084 328 HG13 VAL 47 3HG1 VAL 47 1.970 -8.418 -2.339 329 HG21 VAL 47 3HG2 VAL 47 -1.193 -9.419 -3.908 330 HG22 VAL 47 1HG2 VAL 47 -0.128 -10.704 -4.478 331 HG23 VAL 47 2HG2 VAL 47 -0.610 -9.406 -5.572 332 HA PRO 48 HA PRO 48 4.840 -6.472 -4.429 333 HB2 PRO 48 2HB PRO 48 4.981 -6.217 -7.378 334 HB3 PRO 48 1HB PRO 48 6.070 -7.058 -6.270 335 HG2 PRO 48 2HG PRO 48 4.410 -8.415 -7.855 336 HG3 PRO 48 1HG PRO 48 4.741 -8.956 -6.198 337 HD2 PRO 48 2HD PRO 48 2.356 -7.514 -7.281 338 HD3 PRO 48 1HD PRO 48 2.433 -8.832 -6.100 339 H ILE 49 H ILE 49 2.714 -5.066 -6.875 340 HA ILE 49 HA ILE 49 3.930 -2.540 -7.012 341 HB ILE 49 HB ILE 49 1.284 -3.641 -7.800 342 HG12 ILE 49 2HG1 ILE 49 3.058 -1.950 -9.493 343 HG13 ILE 49 1HG1 ILE 49 3.595 -3.571 -9.072 344 HG21 ILE 49 1HG2 ILE 49 0.804 -1.280 -8.735 345 HG22 ILE 49 2HG2 ILE 49 1.871 -0.742 -7.437 346 HG23 ILE 49 3HG2 ILE 49 0.407 -1.646 -7.056 347 HD11 ILE 49 3HD1 ILE 49 0.890 -3.099 -10.255 348 HD12 ILE 49 1HD1 ILE 49 1.854 -4.577 -10.225 349 HD13 ILE 49 2HD1 ILE 49 2.330 -3.233 -11.266 350 H LEU 50 H LEU 50 1.434 -3.837 -4.886 351 HA LEU 50 HA LEU 50 0.823 -1.322 -3.678 352 HB2 LEU 50 2HB LEU 50 -0.824 -3.068 -3.596 353 HB3 LEU 50 1HB LEU 50 0.297 -4.158 -2.812 354 HG LEU 50 HG LEU 50 0.311 -2.578 -0.846 355 HD11 LEU 50 1HD1 LEU 50 -1.485 -0.976 -0.637 356 HD12 LEU 50 2HD1 LEU 50 -2.086 -1.401 -2.240 357 HD13 LEU 50 3HD1 LEU 50 -0.521 -0.608 -2.068 358 HD21 LEU 50 3HD2 LEU 50 -2.437 -3.648 -1.442 359 HD22 LEU 50 1HD2 LEU 50 -1.618 -3.514 0.117 360 HD23 LEU 50 2HD2 LEU 50 -1.068 -4.701 -1.070 361 H HIS 51 H HIS 51 2.693 -4.162 -2.599 362 HA HIS 51 HA HIS 51 3.656 -3.114 -0.214 363 HB2 HIS 51 2HB HIS 51 4.904 -5.068 -2.155 364 HB3 HIS 51 1HB HIS 51 5.641 -4.661 -0.607 365 HD1 HIS 51 1HD HIS 51 5.250 -6.549 0.925 366 HD2 HIS 51 2HD HIS 51 1.905 -5.754 -1.407 367 HE1 HIS 51 1HE HIS 51 3.483 -8.155 1.712 368 HE2 HIS 51 2HE HIS 51 1.493 -7.706 0.236 369 H SER 52 H SER 52 4.424 -2.323 -3.465 370 HA SER 52 HA SER 52 6.932 -1.018 -2.822 371 HB2 SER 52 2HB SER 52 5.321 -1.186 -5.379 372 HB3 SER 52 1HB SER 52 6.846 -0.312 -5.240 373 HG SER 52 HG SER 52 6.737 -2.699 -5.938 374 H MET 53 H MET 53 3.632 -0.082 -3.752 375 HA MET 53 HA MET 53 4.070 2.692 -3.790 376 HB2 MET 53 2HB MET 53 1.781 2.932 -4.000 377 HB3 MET 53 1HB MET 53 2.002 1.282 -4.559 378 HG2 MET 53 2HG MET 53 0.167 1.126 -3.177 379 HG3 MET 53 1HG MET 53 1.490 0.611 -2.136 380 HE1 MET 53 3HE MET 53 -1.164 1.284 -0.814 381 HE2 MET 53 1HE MET 53 -0.742 2.422 0.465 382 HE3 MET 53 2HE MET 53 0.281 1.019 0.160 383 H VAL 54 H VAL 54 3.709 0.411 -1.252 384 HA VAL 54 HA VAL 54 2.841 1.898 0.895 385 HB VAL 54 HB VAL 54 4.914 -0.279 0.782 386 HG11 VAL 54 1HG1 VAL 54 4.624 -0.528 3.196 387 HG12 VAL 54 2HG1 VAL 54 3.598 0.905 3.216 388 HG13 VAL 54 3HG1 VAL 54 5.302 1.048 2.781 389 HG21 VAL 54 3HG2 VAL 54 1.971 -0.204 1.336 390 HG22 VAL 54 1HG2 VAL 54 2.983 -1.542 1.874 391 HG23 VAL 54 2HG2 VAL 54 2.850 -1.172 0.159 392 H GLN 55 H GLN 55 6.149 1.583 -0.340 393 HA GLN 55 HA GLN 55 7.219 3.411 1.592 394 HB2 GLN 55 2HB GLN 55 8.563 2.541 -0.949 395 HB3 GLN 55 1HB GLN 55 9.297 3.045 0.568 396 HG2 GLN 55 2HG GLN 55 8.438 1.015 1.643 397 HG3 GLN 55 1HG GLN 55 7.762 0.503 0.096 398 HE21 GLN 55 1HE2 GLN 55 10.681 1.033 1.917 399 HE22 GLN 55 2HE2 GLN 55 11.729 0.129 0.882 400 H LYS 56 H LYS 56 5.530 3.745 -1.301 401 HA LYS 56 HA LYS 56 6.742 6.299 -2.015 402 HB2 LYS 56 2HB LYS 56 4.420 4.837 -3.289 403 HB3 LYS 56 1HB LYS 56 5.241 6.249 -3.940 404 HG2 LYS 56 2HG LYS 56 7.297 4.952 -4.165 405 HG3 LYS 56 1HG LYS 56 6.469 3.532 -3.523 406 HD2 LYS 56 2HD LYS 56 6.419 3.258 -5.854 407 HD3 LYS 56 1HD LYS 56 4.809 3.853 -5.437 408 HE2 LYS 56 2HE LYS 56 5.539 5.054 -7.362 409 HE3 LYS 56 1HE LYS 56 5.618 6.156 -5.986 410 HZ1 LYS 56 3HZ LYS 56 7.917 4.696 -7.173 411 HZ2 LYS 56 1HZ LYS 56 7.996 5.729 -5.835 412 HZ3 LYS 56 2HZ LYS 56 7.587 6.346 -7.357 413 H PHE 57 H PHE 57 4.184 5.024 -0.183 414 HA PHE 57 HA PHE 57 3.129 7.721 0.264 415 HB2 PHE 57 2HB PHE 57 1.578 5.258 -0.468 416 HB3 PHE 57 1HB PHE 57 0.826 6.572 0.435 417 HD1 PHE 57 1HD PHE 57 0.505 8.763 -0.595 418 HD2 PHE 57 2HD PHE 57 2.132 5.495 -2.785 419 HE1 PHE 57 1HE PHE 57 0.076 9.964 -2.698 420 HE2 PHE 57 2HE PHE 57 1.704 6.692 -4.891 421 HZ PHE 57 HZ PHE 57 0.675 8.929 -4.850 422 HA PRO 58 HA PRO 58 4.271 5.277 4.181 423 HB2 PRO 58 2HB PRO 58 5.318 7.597 5.323 424 HB3 PRO 58 1HB PRO 58 6.260 6.313 4.563 425 HG2 PRO 58 2HG PRO 58 5.342 8.918 3.426 426 HG3 PRO 58 1HG PRO 58 6.884 8.072 3.194 427 HD2 PRO 58 2HD PRO 58 5.012 8.028 1.298 428 HD3 PRO 58 1HD PRO 58 5.971 6.577 1.656 429 H GLY 59 H GLY 59 3.121 8.628 3.789 430 HA2 GLY 59 2HA GLY 59 1.746 8.882 6.194 431 HA3 GLY 59 1HA GLY 59 1.321 9.721 4.707 432 H VAL 60 H VAL 60 0.653 7.579 3.100 433 HA VAL 60 HA VAL 60 -2.018 7.066 3.852 434 HB VAL 60 HB VAL 60 -0.215 5.972 1.703 435 HG11 VAL 60 1HG1 VAL 60 -2.117 4.723 0.783 436 HG12 VAL 60 2HG1 VAL 60 -3.068 5.124 2.213 437 HG13 VAL 60 3HG1 VAL 60 -1.639 4.103 2.363 438 HG21 VAL 60 3HG2 VAL 60 -1.893 7.087 0.249 439 HG22 VAL 60 1HG2 VAL 60 -1.066 8.192 1.349 440 HG23 VAL 60 2HG2 VAL 60 -2.712 7.663 1.702 441 H SER 61 H SER 61 -2.996 5.184 4.647 442 HA SER 61 HA SER 61 -1.259 3.546 6.274 443 HB2 SER 61 2HB SER 61 -3.395 4.338 7.190 444 HB3 SER 61 1HB SER 61 -4.261 3.443 5.942 445 HG SER 61 HG SER 61 -4.244 2.096 7.649 446 H PHE 62 H PHE 62 -0.110 2.186 5.038 447 HA PHE 62 HA PHE 62 -1.089 0.759 2.814 448 HB2 PHE 62 2HB PHE 62 0.960 -0.764 3.409 449 HB3 PHE 62 1HB PHE 62 1.224 0.887 2.848 450 HD1 PHE 62 2HD PHE 62 1.273 -1.324 5.785 451 HD2 PHE 62 1HD PHE 62 2.131 2.566 4.288 452 HE1 PHE 62 2HE PHE 62 2.564 -0.829 7.818 453 HE2 PHE 62 1HE PHE 62 3.423 3.067 6.321 454 HZ PHE 62 HZ PHE 62 3.640 1.368 8.089 455 H GLY 63 H GLY 63 -2.276 -1.025 2.677 456 HA2 GLY 63 2HA GLY 63 -2.339 -2.906 4.913 457 HA3 GLY 63 1HA GLY 63 -3.863 -2.166 4.437 458 H ILE 64 H ILE 64 -3.416 -4.923 4.384 459 HA ILE 64 HA ILE 64 -4.107 -5.460 1.653 460 HB ILE 64 HB ILE 64 -1.480 -5.508 1.958 461 HG12 ILE 64 2HG1 ILE 64 -2.998 -7.639 0.449 462 HG13 ILE 64 1HG1 ILE 64 -2.705 -5.999 -0.113 463 HG21 ILE 64 1HG2 ILE 64 -1.429 -7.074 3.804 464 HG22 ILE 64 2HG2 ILE 64 -0.645 -7.774 2.389 465 HG23 ILE 64 3HG2 ILE 64 -2.273 -8.279 2.834 466 HD11 ILE 64 3HD1 ILE 64 -1.177 -7.534 -1.171 467 HD12 ILE 64 1HD1 ILE 64 -0.620 -8.110 0.399 468 HD13 ILE 64 2HD1 ILE 64 -0.293 -6.449 -0.099 469 H SER 65 H SER 65 -5.256 -7.366 1.439 470 HA SER 65 HA SER 65 -5.384 -9.198 3.693 471 HB2 SER 65 2HB SER 65 -7.015 -7.515 4.358 472 HB3 SER 65 1HB SER 65 -7.799 -7.619 2.782 473 HG SER 65 HG SER 65 -7.534 -9.995 4.190 474 H THR 66 H THR 66 -6.574 -11.135 3.255 475 HA THR 66 HA THR 66 -7.212 -11.621 0.435 476 HB THR 66 HB THR 66 -6.049 -13.783 0.481 477 HG1 THR 66 1HG THR 66 -4.480 -13.223 2.655 478 HG21 THR 66 3HG2 THR 66 -4.176 -11.551 1.244 479 HG22 THR 66 1HG2 THR 66 -4.921 -11.724 -0.347 480 HG23 THR 66 2HG2 THR 66 -3.813 -12.960 0.247 481 H ASP 67 H ASP 67 -8.126 -11.738 3.591 482 HA ASP 67 HA ASP 67 -9.441 -14.229 3.801 483 HB2 ASP 67 2HB ASP 67 -8.890 -12.685 5.710 484 HB3 ASP 67 1HB ASP 67 -10.212 -11.651 5.179 485 H SER 68 H SER 68 -11.487 -14.867 3.306 486 HA SER 68 HA SER 68 -12.788 -13.660 1.136 487 HB2 SER 68 2HB SER 68 -13.008 -16.048 1.633 488 HB3 SER 68 1HB SER 68 -13.865 -15.672 3.127 489 HG SER 68 HG SER 68 -14.813 -14.717 0.653 490 H GLU 69 H GLU 69 -13.690 -13.748 4.581 491 HA GLU 69 HA GLU 69 -16.068 -12.388 4.504 492 HB2 GLU 69 2HB GLU 69 -13.947 -12.026 6.619 493 HB3 GLU 69 1HB GLU 69 -15.674 -11.747 6.800 494 HG2 GLU 69 2HG GLU 69 -16.077 -14.140 6.388 495 HG3 GLU 69 1HG GLU 69 -14.335 -14.395 6.308 496 H VAL 70 H VAL 70 -12.826 -10.937 4.713 497 HA VAL 70 HA VAL 70 -13.786 -8.273 4.739 498 HB VAL 70 HB VAL 70 -11.072 -9.380 4.013 499 HG11 VAL 70 1HG1 VAL 70 -11.971 -6.520 4.282 500 HG12 VAL 70 2HG1 VAL 70 -11.256 -7.296 2.868 501 HG13 VAL 70 3HG1 VAL 70 -10.281 -7.024 4.315 502 HG21 VAL 70 3HG2 VAL 70 -10.401 -8.559 6.193 503 HG22 VAL 70 1HG2 VAL 70 -11.767 -9.662 6.360 504 HG23 VAL 70 2HG2 VAL 70 -12.017 -7.919 6.473 505 H LEU 71 H LEU 71 -12.265 -10.185 2.142 506 HA LEU 71 HA LEU 71 -12.593 -8.328 0.093 507 HB2 LEU 71 2HB LEU 71 -12.274 -11.293 0.187 508 HB3 LEU 71 1HB LEU 71 -12.708 -10.541 -1.336 509 HG LEU 71 HG LEU 71 -10.687 -9.299 -1.417 510 HD11 LEU 71 1HD1 LEU 71 -9.021 -9.364 0.400 511 HD12 LEU 71 2HD1 LEU 71 -10.184 -10.231 1.402 512 HD13 LEU 71 3HD1 LEU 71 -10.529 -8.583 0.874 513 HD21 LEU 71 3HD2 LEU 71 -10.475 -11.631 -2.079 514 HD22 LEU 71 1HD2 LEU 71 -10.082 -12.077 -0.418 515 HD23 LEU 71 2HD2 LEU 71 -8.982 -11.050 -1.338 516 H THR 72 H THR 72 -14.914 -10.115 1.786 517 HA THR 72 HA THR 72 -16.914 -9.995 -0.326 518 HB THR 72 HB THR 72 -17.096 -10.982 2.529 519 HG1 THR 72 1HG THR 72 -17.291 -13.034 1.375 520 HG21 THR 72 3HG2 THR 72 -19.271 -11.988 1.691 521 HG22 THR 72 1HG2 THR 72 -19.130 -10.906 0.302 522 HG23 THR 72 2HG2 THR 72 -19.272 -10.239 1.930 523 H HIS 73 H HIS 73 -16.220 -8.570 2.826 524 HA HIS 73 HA HIS 73 -18.536 -7.019 3.094 525 HB2 HIS 73 2HB HIS 73 -16.961 -7.441 4.937 526 HB3 HIS 73 1HB HIS 73 -15.749 -6.453 4.131 527 HD1 HIS 73 1HD HIS 73 -18.870 -6.228 6.156 528 HD2 HIS 73 2HD HIS 73 -16.174 -3.674 4.292 529 HE1 HIS 73 1HE HIS 73 -19.384 -3.936 7.054 530 HE2 HIS 73 2HE HIS 73 -17.766 -2.400 5.882 531 H TYR 74 H TYR 74 -15.500 -6.432 1.416 532 HA TYR 74 HA TYR 74 -16.416 -3.764 0.638 533 HB2 TYR 74 2HB TYR 74 -13.765 -5.164 0.270 534 HB3 TYR 74 1HB TYR 74 -14.123 -3.565 -0.375 535 HD1 TYR 74 2HD TYR 74 -13.726 -5.513 2.745 536 HD2 TYR 74 1HD TYR 74 -14.051 -1.638 1.017 537 HE1 TYR 74 2HE TYR 74 -13.058 -4.509 4.887 538 HE2 TYR 74 1HE TYR 74 -13.384 -0.624 3.155 539 HH TYR 74 HH TYR 74 -12.059 -2.416 5.709 540 H ASN 75 H ASN 75 -17.306 -6.557 -0.356 541 HA ASN 75 HA ASN 75 -18.072 -7.483 -2.287 542 HB2 ASN 75 2HB ASN 75 -17.948 -4.591 -3.153 543 HB3 ASN 75 1HB ASN 75 -18.747 -5.868 -4.068 544 HD21 ASN 75 1HD2 ASN 75 -19.813 -3.431 -2.830 545 HD22 ASN 75 2HD2 ASN 75 -21.069 -3.959 -1.768 546 H ILE 76 H ILE 76 -15.121 -7.158 -1.895 547 HA ILE 76 HA ILE 76 -13.847 -6.615 -4.340 548 HB ILE 76 HB ILE 76 -12.904 -8.548 -2.220 549 HG12 ILE 76 2HG1 ILE 76 -13.481 -6.435 -1.174 550 HG13 ILE 76 1HG1 ILE 76 -11.734 -6.598 -1.242 551 HG21 ILE 76 1HG2 ILE 76 -11.572 -8.761 -4.166 552 HG22 ILE 76 2HG2 ILE 76 -10.650 -7.780 -3.026 553 HG23 ILE 76 3HG2 ILE 76 -11.481 -7.015 -4.379 554 HD11 ILE 76 3HD1 ILE 76 -12.542 -4.330 -1.775 555 HD12 ILE 76 1HD1 ILE 76 -13.369 -4.988 -3.186 556 HD13 ILE 76 2HD1 ILE 76 -11.611 -5.061 -3.080 557 H THR 77 H THR 77 -13.893 -7.677 -6.198 558 HA THR 77 HA THR 77 -14.108 -10.595 -6.204 559 HB THR 77 HB THR 77 -15.780 -10.522 -8.043 560 HG1 THR 77 1HG THR 77 -16.069 -8.610 -8.904 561 HG21 THR 77 3HG2 THR 77 -16.671 -9.229 -5.466 562 HG22 THR 77 1HG2 THR 77 -16.506 -10.960 -5.757 563 HG23 THR 77 2HG2 THR 77 -17.722 -10.032 -6.633 564 H GLY 78 H GLY 78 -11.751 -9.655 -6.644 565 HA2 GLY 78 2HA GLY 78 -10.769 -10.533 -8.963 566 HA3 GLY 78 1HA GLY 78 -11.364 -8.951 -9.445 567 H ASN 79 H ASN 79 -9.769 -9.979 -6.439 568 HA ASN 79 HA ASN 79 -7.979 -9.114 -5.327 569 HB2 ASN 79 2HB ASN 79 -6.899 -8.910 -8.145 570 HB3 ASN 79 1HB ASN 79 -5.934 -8.856 -6.674 571 HD21 ASN 79 1HD2 ASN 79 -7.858 -10.856 -8.769 572 HD22 ASN 79 2HD2 ASN 79 -7.312 -12.375 -8.151 573 H THR 80 H THR 80 -9.962 -7.288 -5.689 574 HA THR 80 HA THR 80 -9.154 -4.851 -6.891 575 HB THR 80 HB THR 80 -11.227 -5.380 -4.747 576 HG1 THR 80 1HG THR 80 -11.365 -6.387 -6.966 577 HG21 THR 80 3HG2 THR 80 -12.246 -3.267 -5.460 578 HG22 THR 80 1HG2 THR 80 -10.898 -2.989 -6.562 579 HG23 THR 80 2HG2 THR 80 -10.623 -3.012 -4.823 580 H ILE 81 H ILE 81 -8.549 -2.900 -5.920 581 HA ILE 81 HA ILE 81 -7.346 -3.097 -3.231 582 HB ILE 81 HB ILE 81 -6.436 -1.487 -5.625 583 HG12 ILE 81 2HG1 ILE 81 -5.110 -3.665 -3.998 584 HG13 ILE 81 1HG1 ILE 81 -5.719 -3.818 -5.642 585 HG21 ILE 81 1HG2 ILE 81 -5.368 -1.405 -2.804 586 HG22 ILE 81 2HG2 ILE 81 -6.289 -0.126 -3.595 587 HG23 ILE 81 3HG2 ILE 81 -4.690 -0.562 -4.197 588 HD11 ILE 81 3HD1 ILE 81 -4.060 -2.089 -6.327 589 HD12 ILE 81 1HD1 ILE 81 -3.360 -3.601 -5.746 590 HD13 ILE 81 2HD1 ILE 81 -3.384 -2.185 -4.698 591 H CYS 82 H CYS 82 -8.424 -1.896 -1.773 592 HA CYS 82 HA CYS 82 -10.035 0.331 -2.802 593 HB2 CYS 82 2HB CYS 82 -10.383 -1.312 -0.308 594 HB3 CYS 82 1HB CYS 82 -11.384 0.071 -0.737 595 HG CYS 82 HG CYS 82 -12.184 -1.208 -3.207 596 H LEU 83 H LEU 83 -9.748 2.335 -2.163 597 HA LEU 83 HA LEU 83 -7.799 2.884 -0.035 598 HB2 LEU 83 2HB LEU 83 -6.959 3.921 -1.915 599 HB3 LEU 83 1HB LEU 83 -8.544 4.258 -2.572 600 HG LEU 83 HG LEU 83 -8.851 6.120 -1.070 601 HD11 LEU 83 1HD1 LEU 83 -7.578 5.056 0.841 602 HD12 LEU 83 2HD1 LEU 83 -7.337 6.786 0.605 603 HD13 LEU 83 3HD1 LEU 83 -6.109 5.641 0.061 604 HD21 LEU 83 3HD2 LEU 83 -6.160 6.125 -2.422 605 HD22 LEU 83 1HD2 LEU 83 -6.964 7.564 -1.795 606 HD23 LEU 83 2HD2 LEU 83 -7.703 6.642 -3.102 607 H PHE 84 H PHE 84 -8.927 3.143 1.832 608 HA PHE 84 HA PHE 84 -11.439 4.641 1.756 609 HB2 PHE 84 2HB PHE 84 -10.990 2.344 2.999 610 HB3 PHE 84 1HB PHE 84 -10.405 3.414 4.270 611 HD1 PHE 84 2HD PHE 84 -12.000 5.305 5.012 612 HD2 PHE 84 1HD PHE 84 -13.245 1.875 2.824 613 HE1 PHE 84 2HE PHE 84 -14.313 5.672 5.762 614 HE2 PHE 84 1HE PHE 84 -15.562 2.237 3.568 615 HZ PHE 84 HZ PHE 84 -16.099 4.138 5.039 616 H ARG 85 H ARG 85 -11.458 6.722 2.243 617 HA ARG 85 HA ARG 85 -9.202 7.848 3.769 618 HB2 ARG 85 2HB ARG 85 -11.088 9.709 2.475 619 HB3 ARG 85 1HB ARG 85 -9.331 9.717 2.502 620 HG2 ARG 85 2HG ARG 85 -9.288 7.994 0.776 621 HG3 ARG 85 1HG ARG 85 -11.059 7.992 0.742 622 HD2 ARG 85 2HD ARG 85 -9.191 10.219 -0.050 623 HD3 ARG 85 1HD ARG 85 -10.321 9.337 -1.077 624 HE ARG 85 HE ARG 85 -11.692 10.651 1.029 625 HH11 ARG 85 1HH1 ARG 85 -10.101 11.236 -2.015 626 HH12 ARG 85 2HH1 ARG 85 -11.027 12.655 -2.374 627 HH21 ARG 85 1HH2 ARG 85 -12.915 12.521 0.567 628 HH22 ARG 85 2HH2 ARG 85 -12.625 13.386 -0.905 629 H LEU 86 H LEU 86 -9.749 7.693 5.850 630 HA LEU 86 HA LEU 86 -12.135 7.638 7.125 631 HB2 LEU 86 2HB LEU 86 -10.358 7.250 8.504 632 HB3 LEU 86 1HB LEU 86 -9.434 8.598 7.878 633 HG LEU 86 HG LEU 86 -10.958 10.139 9.132 634 HD11 LEU 86 1HD1 LEU 86 -11.927 7.564 10.369 635 HD12 LEU 86 2HD1 LEU 86 -12.878 8.663 9.368 636 HD13 LEU 86 3HD1 LEU 86 -12.300 9.186 10.950 637 HD21 LEU 86 3HD2 LEU 86 -8.793 9.626 10.016 638 HD22 LEU 86 1HD2 LEU 86 -9.376 8.097 10.678 639 HD23 LEU 86 2HD2 LEU 86 -9.960 9.624 11.342 640 H VAL 87 H VAL 87 -10.289 10.649 6.607 641 HA VAL 87 HA VAL 87 -11.812 12.516 7.781 642 HB VAL 87 HB VAL 87 -11.396 13.825 5.436 643 HG11 VAL 87 1HG1 VAL 87 -10.588 14.565 7.576 644 HG12 VAL 87 2HG1 VAL 87 -9.239 14.525 6.439 645 HG13 VAL 87 3HG1 VAL 87 -9.423 13.243 7.638 646 HG21 VAL 87 3HG2 VAL 87 -9.381 11.589 5.590 647 HG22 VAL 87 1HG2 VAL 87 -9.234 13.015 4.559 648 HG23 VAL 87 2HG2 VAL 87 -10.554 11.873 4.299 649 H ASP 88 H ASP 88 -12.406 11.629 4.378 650 HA ASP 88 HA ASP 88 -15.121 12.663 4.661 651 HB2 ASP 88 2HB ASP 88 -13.405 12.022 2.272 652 HB3 ASP 88 1HB ASP 88 -15.128 12.366 2.121 653 H ASN 89 H ASN 89 -13.767 9.886 5.323 654 HA ASN 89 HA ASN 89 -14.317 7.681 5.309 655 HB2 ASN 89 2HB ASN 89 -16.152 8.711 6.634 656 HB3 ASN 89 1HB ASN 89 -17.134 8.752 5.177 657 HD21 ASN 89 1HD2 ASN 89 -15.624 6.718 7.568 658 HD22 ASN 89 2HD2 ASN 89 -16.543 5.295 7.230 659 H GLU 90 H GLU 90 -13.692 8.687 2.756 660 HA GLU 90 HA GLU 90 -15.613 7.648 0.864 661 HB2 GLU 90 2HB GLU 90 -12.778 8.598 0.416 662 HB3 GLU 90 1HB GLU 90 -13.972 8.287 -0.835 663 HG2 GLU 90 2HG GLU 90 -14.314 10.339 1.324 664 HG3 GLU 90 1HG GLU 90 -13.626 10.685 -0.261 665 H GLN 91 H GLN 91 -15.017 6.015 -0.743 666 HA GLN 91 HA GLN 91 -12.939 4.143 0.067 667 HB2 GLN 91 2HB GLN 91 -15.025 3.431 1.230 668 HB3 GLN 91 1HB GLN 91 -15.797 3.252 -0.341 669 HG2 GLN 91 2HG GLN 91 -13.254 1.801 0.195 670 HG3 GLN 91 1HG GLN 91 -14.756 1.195 0.893 671 HE21 GLN 91 1HE2 GLN 91 -16.415 0.505 -0.505 672 HE22 GLN 91 2HE2 GLN 91 -16.084 0.054 -2.140 673 H LEU 92 H LEU 92 -11.827 4.543 -1.793 674 HA LEU 92 HA LEU 92 -13.104 4.387 -4.375 675 HB2 LEU 92 2HB LEU 92 -10.174 4.552 -3.650 676 HB3 LEU 92 1HB LEU 92 -10.827 4.710 -5.265 677 HG LEU 92 HG LEU 92 -10.306 6.895 -4.519 678 HD11 LEU 92 1HD1 LEU 92 -12.391 6.792 -5.722 679 HD12 LEU 92 2HD1 LEU 92 -12.490 8.019 -4.456 680 HD13 LEU 92 3HD1 LEU 92 -13.270 6.453 -4.231 681 HD21 LEU 92 3HD2 LEU 92 -12.010 6.523 -2.075 682 HD22 LEU 92 1HD2 LEU 92 -10.909 7.848 -2.450 683 HD23 LEU 92 2HD2 LEU 92 -10.269 6.248 -2.080 684 H ASN 93 H ASN 93 -12.993 2.656 -5.807 685 HA ASN 93 HA ASN 93 -11.692 0.243 -4.729 686 HB2 ASN 93 2HB ASN 93 -13.497 -0.996 -6.098 687 HB3 ASN 93 1HB ASN 93 -13.962 -0.272 -4.566 688 HD21 ASN 93 1HD2 ASN 93 -14.204 -0.095 -8.019 689 HD22 ASN 93 2HD2 ASN 93 -15.504 1.043 -8.077 690 H LEU 94 H LEU 94 -10.019 -0.295 -5.848 691 HA LEU 94 HA LEU 94 -9.903 0.206 -8.735 692 HB2 LEU 94 2HB LEU 94 -8.060 0.884 -7.009 693 HB3 LEU 94 1HB LEU 94 -7.641 -0.818 -7.033 694 HG LEU 94 HG LEU 94 -7.809 0.568 -9.651 695 HD11 LEU 94 1HD1 LEU 94 -5.568 0.978 -7.671 696 HD12 LEU 94 2HD1 LEU 94 -6.626 2.222 -8.344 697 HD13 LEU 94 3HD1 LEU 94 -5.485 1.374 -9.390 698 HD21 LEU 94 3HD2 LEU 94 -5.945 -1.470 -8.439 699 HD22 LEU 94 1HD2 LEU 94 -5.915 -0.916 -10.113 700 HD23 LEU 94 2HD2 LEU 94 -7.309 -1.808 -9.504 701 H GLU 95 H GLU 95 -11.468 -1.506 -9.032 702 HA GLU 95 HA GLU 95 -10.874 -4.185 -8.216 703 HB2 GLU 95 2HB GLU 95 -12.950 -3.274 -10.201 704 HB3 GLU 95 1HB GLU 95 -12.920 -4.788 -9.303 705 HG2 GLU 95 2HG GLU 95 -13.375 -3.691 -7.261 706 HG3 GLU 95 1HG GLU 95 -13.100 -2.101 -7.969 707 H ASP 96 H ASP 96 -11.686 -5.696 -10.305 708 HA ASP 96 HA ASP 96 -9.415 -6.439 -11.610 709 HB2 ASP 96 2HB ASP 96 -11.096 -7.326 -13.407 710 HB3 ASP 96 1HB ASP 96 -11.143 -7.972 -11.768 711 H GLU 97 H GLU 97 -11.946 -4.353 -12.990 712 HA GLU 97 HA GLU 97 -10.933 -3.875 -15.480 713 HB2 GLU 97 2HB GLU 97 -12.163 -1.768 -13.693 714 HB3 GLU 97 1HB GLU 97 -12.101 -1.738 -15.450 715 HG2 GLU 97 2HG GLU 97 -13.532 -3.712 -15.538 716 HG3 GLU 97 1HG GLU 97 -13.594 -3.746 -13.776 717 H ASP 98 H ASP 98 -9.493 -3.013 -12.522 718 HA ASP 98 HA ASP 98 -7.501 -1.374 -13.927 719 HB2 ASP 98 2HB ASP 98 -8.494 -0.996 -11.088 720 HB3 ASP 98 1HB ASP 98 -7.220 -0.057 -11.865 721 H ILE 99 H ILE 99 -8.110 -4.118 -12.028 722 HA ILE 99 HA ILE 99 -5.424 -4.280 -10.907 723 HB ILE 99 HB ILE 99 -7.835 -6.080 -10.652 724 HG12 ILE 99 2HG1 ILE 99 -7.798 -3.878 -9.460 725 HG13 ILE 99 1HG1 ILE 99 -7.975 -5.283 -8.418 726 HG21 ILE 99 1HG2 ILE 99 -6.503 -7.257 -8.889 727 HG22 ILE 99 2HG2 ILE 99 -5.073 -6.434 -9.511 728 HG23 ILE 99 3HG2 ILE 99 -5.967 -7.550 -10.543 729 HD11 ILE 99 3HD1 ILE 99 -5.464 -3.686 -8.870 730 HD12 ILE 99 1HD1 ILE 99 -5.581 -5.140 -7.875 731 HD13 ILE 99 2HD1 ILE 99 -6.474 -3.687 -7.423 732 H GLU 100 H GLU 100 -7.257 -5.543 -13.572 733 HA GLU 100 HA GLU 100 -5.833 -7.871 -14.150 734 HB2 GLU 100 2HB GLU 100 -6.684 -7.645 -16.428 735 HB3 GLU 100 1HB GLU 100 -7.942 -7.277 -15.254 736 HG2 GLU 100 2HG GLU 100 -7.634 -4.905 -15.626 737 HG3 GLU 100 1HG GLU 100 -6.307 -5.232 -16.739 738 H SER 101 H SER 101 -5.134 -4.513 -14.876 739 HA SER 101 HA SER 101 -2.465 -5.326 -15.796 740 HB2 SER 101 2HB SER 101 -4.179 -3.164 -17.046 741 HB3 SER 101 1HB SER 101 -2.514 -3.537 -17.493 742 HG SER 101 HG SER 101 -4.759 -4.677 -18.360 743 H ILE 102 H ILE 102 -3.171 -4.559 -13.193 744 HA ILE 102 HA ILE 102 -2.794 -1.824 -12.659 745 HB ILE 102 HB ILE 102 -3.752 -3.342 -11.003 746 HG12 ILE 102 2HG1 ILE 102 -2.255 -2.626 -9.036 747 HG13 ILE 102 1HG1 ILE 102 -1.227 -1.872 -10.247 748 HG21 ILE 102 1HG2 ILE 102 -2.519 -5.344 -11.356 749 HG22 ILE 102 2HG2 ILE 102 -2.184 -4.816 -9.706 750 HG23 ILE 102 3HG2 ILE 102 -0.989 -4.550 -10.974 751 HD11 ILE 102 3HD1 ILE 102 -2.701 -0.236 -9.300 752 HD12 ILE 102 1HD1 ILE 102 -4.107 -1.223 -9.696 753 HD13 ILE 102 2HD1 ILE 102 -3.137 -0.515 -10.986 754 H ASP 103 H ASP 103 -1.026 -0.629 -12.162 755 HA ASP 103 HA ASP 103 1.609 -1.908 -12.235 756 HB2 ASP 103 2HB ASP 103 0.902 0.604 -13.765 757 HB3 ASP 103 1HB ASP 103 2.495 -0.135 -13.665 758 H ALA 104 H ALA 104 3.212 -0.808 -11.008 759 HA ALA 104 HA ALA 104 2.442 0.343 -8.652 760 HB1 ALA 104 1HB ALA 104 5.002 0.852 -10.153 761 HB2 ALA 104 2HB ALA 104 4.686 -0.452 -9.006 762 HB3 ALA 104 3HB ALA 104 4.727 1.222 -8.449 763 H THR 105 H THR 105 2.983 1.907 -11.736 764 HA THR 105 HA THR 105 2.859 4.588 -10.878 765 HB THR 105 HB THR 105 2.058 3.393 -13.539 766 HG1 THR 105 1HG THR 105 4.477 4.051 -12.367 767 HG21 THR 105 3HG2 THR 105 2.476 5.710 -14.378 768 HG22 THR 105 1HG2 THR 105 2.540 6.242 -12.697 769 HG23 THR 105 2HG2 THR 105 1.053 5.546 -13.347 770 H LYS 106 H LYS 106 0.362 2.401 -12.142 771 HA LYS 106 HA LYS 106 -1.790 4.181 -12.030 772 HB2 LYS 106 2HB LYS 106 -1.834 1.173 -11.679 773 HB3 LYS 106 1HB LYS 106 -3.216 2.181 -12.086 774 HG2 LYS 106 2HG LYS 106 -2.235 2.765 -14.201 775 HG3 LYS 106 1HG LYS 106 -0.749 1.907 -13.788 776 HD2 LYS 106 2HD LYS 106 -1.986 0.467 -15.216 777 HD3 LYS 106 1HD LYS 106 -2.158 -0.180 -13.584 778 HE2 LYS 106 2HE LYS 106 -4.299 -0.233 -14.680 779 HE3 LYS 106 1HE LYS 106 -4.336 0.978 -13.401 780 HZ1 LYS 106 3HZ LYS 106 -3.966 1.523 -16.297 781 HZ2 LYS 106 1HZ LYS 106 -3.974 2.693 -15.074 782 HZ3 LYS 106 2HZ LYS 106 -5.376 1.807 -15.407 783 H LEU 107 H LEU 107 -0.977 1.600 -9.669 784 HA LEU 107 HA LEU 107 -2.872 2.197 -7.759 785 HB2 LEU 107 2HB LEU 107 -0.695 0.507 -7.899 786 HB3 LEU 107 1HB LEU 107 -0.242 1.593 -6.603 787 HG LEU 107 HG LEU 107 -2.468 -0.401 -6.710 788 HD11 LEU 107 1HD1 LEU 107 -1.621 -0.767 -4.355 789 HD12 LEU 107 2HD1 LEU 107 -0.301 0.334 -4.756 790 HD13 LEU 107 3HD1 LEU 107 -0.502 -1.169 -5.657 791 HD21 LEU 107 3HD2 LEU 107 -2.427 2.047 -4.946 792 HD22 LEU 107 1HD2 LEU 107 -3.450 0.635 -4.680 793 HD23 LEU 107 2HD2 LEU 107 -3.657 1.611 -6.133 794 H SER 108 H SER 108 0.473 3.418 -7.869 795 HA SER 108 HA SER 108 0.274 5.218 -5.743 796 HB2 SER 108 2HB SER 108 2.009 5.351 -8.219 797 HB3 SER 108 1HB SER 108 2.241 6.336 -6.773 798 HG SER 108 HG SER 108 3.499 4.682 -6.303 799 H ARG 109 H ARG 109 -0.756 5.475 -9.057 800 HA ARG 109 HA ARG 109 -1.084 8.294 -9.097 801 HB2 ARG 109 2HB ARG 109 -0.855 6.873 -11.134 802 HB3 ARG 109 1HB ARG 109 -2.445 6.208 -10.809 803 HG2 ARG 109 2HG ARG 109 -2.048 9.155 -11.152 804 HG3 ARG 109 1HG ARG 109 -2.223 8.084 -12.543 805 HD2 ARG 109 2HD ARG 109 -4.348 7.246 -11.490 806 HD3 ARG 109 1HD ARG 109 -4.191 8.553 -10.312 807 HE ARG 109 HE ARG 109 -4.033 9.791 -12.743 808 HH11 ARG 109 1HH1 ARG 109 -6.349 7.708 -11.180 809 HH12 ARG 109 2HH1 ARG 109 -7.709 8.388 -12.008 810 HH21 ARG 109 1HH2 ARG 109 -5.818 10.690 -13.837 811 HH22 ARG 109 2HH2 ARG 109 -7.408 10.081 -13.520 812 H PHE 110 H PHE 110 -3.562 5.738 -9.209 813 HA PHE 110 HA PHE 110 -5.796 7.168 -8.654 814 HB2 PHE 110 2HB PHE 110 -4.975 4.395 -7.849 815 HB3 PHE 110 1HB PHE 110 -6.510 5.053 -7.284 816 HD1 PHE 110 1HD PHE 110 -4.562 4.221 -10.316 817 HD2 PHE 110 2HD PHE 110 -8.385 5.145 -8.690 818 HE1 PHE 110 1HE PHE 110 -5.617 3.592 -12.447 819 HE2 PHE 110 2HE PHE 110 -9.447 4.517 -10.817 820 HZ PHE 110 HZ PHE 110 -8.063 3.740 -12.699 821 H ILE 111 H ILE 111 -3.430 5.980 -6.303 822 HA ILE 111 HA ILE 111 -4.749 6.935 -3.996 823 HB ILE 111 HB ILE 111 -1.798 6.481 -4.487 824 HG12 ILE 111 2HG1 ILE 111 -3.757 4.782 -2.942 825 HG13 ILE 111 1HG1 ILE 111 -3.388 4.518 -4.638 826 HG21 ILE 111 1HG2 ILE 111 -3.273 6.953 -1.900 827 HG22 ILE 111 2HG2 ILE 111 -2.106 8.042 -2.656 828 HG23 ILE 111 3HG2 ILE 111 -1.582 6.472 -2.041 829 HD11 ILE 111 3HD1 ILE 111 -2.114 3.021 -3.227 830 HD12 ILE 111 1HD1 ILE 111 -1.425 4.399 -2.368 831 HD13 ILE 111 2HD1 ILE 111 -1.046 4.143 -4.071 832 H GLU 112 H GLU 112 -2.024 8.301 -5.836 833 HA GLU 112 HA GLU 112 -1.798 10.722 -4.512 834 HB2 GLU 112 2HB GLU 112 -0.259 9.797 -6.288 835 HB3 GLU 112 1HB GLU 112 -1.437 10.326 -7.485 836 HG2 GLU 112 2HG GLU 112 0.243 11.985 -7.384 837 HG3 GLU 112 1HG GLU 112 -1.180 12.644 -6.578 838 H ILE 113 H ILE 113 -4.276 9.570 -6.524 839 HA ILE 113 HA ILE 113 -5.277 12.186 -7.262 840 HB ILE 113 HB ILE 113 -5.752 9.415 -8.106 841 HG12 ILE 113 2HG1 ILE 113 -6.017 10.486 -10.289 842 HG13 ILE 113 1HG1 ILE 113 -6.032 12.072 -9.522 843 HG21 ILE 113 1HG2 ILE 113 -8.046 11.348 -7.981 844 HG22 ILE 113 2HG2 ILE 113 -7.952 9.725 -7.300 845 HG23 ILE 113 3HG2 ILE 113 -8.003 9.945 -9.046 846 HD11 ILE 113 3HD1 ILE 113 -3.877 11.533 -10.559 847 HD12 ILE 113 1HD1 ILE 113 -3.719 10.148 -9.478 848 HD13 ILE 113 2HD1 ILE 113 -3.739 11.784 -8.818 849 H ASN 114 H ASN 114 -6.136 9.527 -5.076 850 HA ASN 114 HA ASN 114 -8.218 11.282 -3.946 851 HB2 ASN 114 2HB ASN 114 -8.255 8.268 -4.142 852 HB3 ASN 114 1HB ASN 114 -9.449 9.236 -3.281 853 HD21 ASN 114 1HD2 ASN 114 -9.458 11.376 -5.217 854 HD22 ASN 114 2HD2 ASN 114 -10.294 10.785 -6.608 855 H SER 115 H SER 115 -5.364 10.985 -3.176 856 HA SER 115 HA SER 115 -5.426 9.633 -0.627 857 HB2 SER 115 2HB SER 115 -3.120 10.496 -0.373 858 HB3 SER 115 1HB SER 115 -3.351 9.682 -1.922 859 HG SER 115 HG SER 115 -3.485 11.680 -2.921 860 H LEU 116 H LEU 116 -7.464 11.272 -0.478 861 HA LEU 116 HA LEU 116 -6.595 13.716 0.887 862 HB2 LEU 116 2HB LEU 116 -9.354 12.917 -0.030 863 HB3 LEU 116 1HB LEU 116 -8.887 14.476 0.629 864 HG LEU 116 HG LEU 116 -7.990 13.307 -2.004 865 HD11 LEU 116 1HD1 LEU 116 -9.774 15.649 -1.356 866 HD12 LEU 116 2HD1 LEU 116 -10.285 14.103 -2.035 867 HD13 LEU 116 3HD1 LEU 116 -9.243 15.177 -2.969 868 HD21 LEU 116 3HD2 LEU 116 -6.192 14.598 -0.999 869 HD22 LEU 116 1HD2 LEU 116 -7.296 15.945 -0.718 870 HD23 LEU 116 2HD2 LEU 116 -6.887 15.470 -2.366 Start of MODEL 37 1 H GLU 1 H GLU 1 10.465 0.665 -17.727 2 HA GLU 1 HA GLU 1 11.790 -0.828 -19.738 3 HB2 GLU 1 2HB GLU 1 9.974 1.334 -20.823 4 HB3 GLU 1 1HB GLU 1 11.248 0.546 -21.743 5 HG2 GLU 1 2HG GLU 1 10.109 -1.603 -21.469 6 HG3 GLU 1 1HG GLU 1 8.826 -0.799 -20.565 7 H VAL 2 H VAL 2 11.156 2.073 -18.037 8 HA VAL 2 HA VAL 2 13.919 2.937 -18.508 9 HB VAL 2 HB VAL 2 13.171 5.316 -18.518 10 HG11 VAL 2 1HG1 VAL 2 12.136 3.566 -20.746 11 HG12 VAL 2 2HG1 VAL 2 13.763 4.231 -20.596 12 HG13 VAL 2 3HG1 VAL 2 12.392 5.308 -20.858 13 HG21 VAL 2 3HG2 VAL 2 10.984 4.991 -17.470 14 HG22 VAL 2 1HG2 VAL 2 10.429 4.115 -18.896 15 HG23 VAL 2 2HG2 VAL 2 10.837 5.827 -19.016 16 H GLU 3 H GLU 3 11.179 2.623 -16.434 17 HA GLU 3 HA GLU 3 12.801 3.605 -14.180 18 HB2 GLU 3 2HB GLU 3 9.825 3.903 -14.605 19 HB3 GLU 3 1HB GLU 3 10.638 4.248 -13.086 20 HG2 GLU 3 2HG GLU 3 11.194 5.622 -15.706 21 HG3 GLU 3 1HG GLU 3 10.198 6.268 -14.401 22 H LYS 4 H LYS 4 12.458 0.895 -15.321 23 HA LYS 4 HA LYS 4 11.514 -0.421 -12.866 24 HB2 LYS 4 2HB LYS 4 11.056 -1.435 -15.678 25 HB3 LYS 4 1HB LYS 4 10.575 -2.248 -14.194 26 HG2 LYS 4 2HG LYS 4 9.040 -0.426 -13.682 27 HG3 LYS 4 1HG LYS 4 9.533 0.410 -15.157 28 HD2 LYS 4 2HD LYS 4 8.735 -1.526 -16.473 29 HD3 LYS 4 1HD LYS 4 8.170 -2.277 -14.980 30 HE2 LYS 4 2HE LYS 4 6.672 -0.377 -14.599 31 HE3 LYS 4 1HE LYS 4 7.236 0.366 -16.095 32 HZ1 LYS 4 3HZ LYS 4 5.147 -0.774 -16.438 33 HZ2 LYS 4 1HZ LYS 4 5.805 -2.227 -15.873 34 HZ3 LYS 4 2HZ LYS 4 6.372 -1.546 -17.313 35 H SER 5 H SER 5 14.078 0.131 -12.959 36 HA SER 5 HA SER 5 15.323 -2.470 -13.419 37 HB2 SER 5 2HB SER 5 16.480 0.126 -14.464 38 HB3 SER 5 1HB SER 5 17.294 -1.437 -14.490 39 HG SER 5 HG SER 5 16.201 -0.851 -16.475 40 H SER 6 H SER 6 14.486 -0.632 -11.144 41 HA SER 6 HA SER 6 16.916 -1.003 -9.587 42 HB2 SER 6 2HB SER 6 15.521 1.678 -9.782 43 HB3 SER 6 1HB SER 6 16.835 1.288 -8.670 44 HG SER 6 HG SER 6 16.936 1.351 -11.504 45 H ASP 7 H ASP 7 13.665 0.456 -9.401 46 HA ASP 7 HA ASP 7 13.262 -0.172 -6.681 47 HB2 ASP 7 2HB ASP 7 11.986 1.570 -7.875 48 HB3 ASP 7 1HB ASP 7 11.196 0.324 -8.836 49 H GLY 8 H GLY 8 12.464 -1.926 -5.671 50 HA2 GLY 8 2HA GLY 8 11.002 -3.973 -7.071 51 HA3 GLY 8 1HA GLY 8 12.638 -4.456 -6.650 52 HA PRO 9 HA PRO 9 9.781 -5.769 -3.179 53 HB2 PRO 9 2HB PRO 9 12.113 -7.612 -2.926 54 HB3 PRO 9 1HB PRO 9 10.385 -7.956 -2.781 55 HG2 PRO 9 2HG PRO 9 11.724 -8.652 -4.972 56 HG3 PRO 9 1HG PRO 9 10.070 -8.021 -5.080 57 HD2 PRO 9 2HD PRO 9 12.657 -6.677 -5.704 58 HD3 PRO 9 1HD PRO 9 11.075 -6.502 -6.488 59 H GLY 10 H GLY 10 9.968 -4.271 -1.617 60 HA2 GLY 10 2HA GLY 10 12.592 -3.542 -0.584 61 HA3 GLY 10 1HA GLY 10 11.067 -2.759 -0.202 62 H ALA 11 H ALA 11 11.838 -2.815 2.008 63 HA ALA 11 HA ALA 11 10.812 -5.099 3.419 64 HB1 ALA 11 1HB ALA 11 13.750 -4.463 3.663 65 HB2 ALA 11 2HB ALA 11 13.068 -5.896 2.890 66 HB3 ALA 11 3HB ALA 11 12.860 -5.645 4.624 67 H ALA 12 H ALA 12 12.177 -1.950 3.268 68 HA ALA 12 HA ALA 12 12.351 -1.123 5.879 69 HB1 ALA 12 1HB ALA 12 11.817 1.142 5.036 70 HB2 ALA 12 2HB ALA 12 11.332 0.423 3.499 71 HB3 ALA 12 3HB ALA 12 13.006 0.297 4.044 72 H GLN 13 H GLN 13 9.476 -1.747 3.999 73 HA GLN 13 HA GLN 13 7.834 -1.809 6.317 74 HB2 GLN 13 2HB GLN 13 6.303 0.038 5.676 75 HB3 GLN 13 1HB GLN 13 7.902 0.596 6.150 76 HG2 GLN 13 2HG GLN 13 8.487 0.724 3.724 77 HG3 GLN 13 1HG GLN 13 6.795 0.376 3.362 78 HE21 GLN 13 1HE2 GLN 13 9.039 2.699 4.646 79 HE22 GLN 13 2HE2 GLN 13 7.964 4.050 4.631 80 H GLU 14 H GLU 14 5.709 -2.557 5.900 81 HA GLU 14 HA GLU 14 5.048 -3.265 3.147 82 HB2 GLU 14 2HB GLU 14 4.706 -5.596 3.645 83 HB3 GLU 14 1HB GLU 14 6.344 -5.167 4.115 84 HG2 GLU 14 2HG GLU 14 5.502 -4.914 6.459 85 HG3 GLU 14 1HG GLU 14 3.972 -5.595 5.905 86 HA PRO 15 HA PRO 15 0.932 -2.325 4.397 87 HB2 PRO 15 2HB PRO 15 -0.564 -4.126 3.004 88 HB3 PRO 15 1HB PRO 15 0.218 -2.725 2.263 89 HG2 PRO 15 2HG PRO 15 1.094 -5.580 2.316 90 HG3 PRO 15 1HG PRO 15 1.159 -4.409 0.987 91 HD2 PRO 15 2HD PRO 15 3.321 -5.051 2.500 92 HD3 PRO 15 1HD PRO 15 3.101 -3.455 1.757 93 H THR 16 H THR 16 -0.449 -2.766 6.015 94 HA THR 16 HA THR 16 0.073 -4.812 7.849 95 HB THR 16 HB THR 16 -2.556 -3.351 7.606 96 HG1 THR 16 1HG THR 16 -1.607 -1.637 8.572 97 HG21 THR 16 3HG2 THR 16 -2.674 -3.654 10.003 98 HG22 THR 16 1HG2 THR 16 -1.074 -4.396 10.021 99 HG23 THR 16 2HG2 THR 16 -2.420 -5.221 9.234 100 H TRP 17 H TRP 17 -1.212 -6.586 8.526 101 HA TRP 17 HA TRP 17 -2.491 -7.968 6.289 102 HB2 TRP 17 2HB TRP 17 -1.528 -8.973 8.974 103 HB3 TRP 17 1HB TRP 17 -2.277 -9.982 7.741 104 HD1 TRP 17 HD TRP 17 -0.839 -9.841 5.245 105 HE1 TRP 17 1HE TRP 17 1.711 -10.038 4.950 106 HE3 TRP 17 3HE TRP 17 0.620 -8.662 9.999 107 HZ2 TRP 17 2HZ TRP 17 4.032 -9.733 6.526 108 HZ3 TRP 17 3HZ TRP 17 3.023 -8.639 10.524 109 HH2 TRP 17 HH TRP 17 4.694 -9.164 8.823 110 H LEU 18 H LEU 18 -4.528 -6.996 6.279 111 HA LEU 18 HA LEU 18 -6.157 -7.043 8.690 112 HB2 LEU 18 2HB LEU 18 -6.919 -6.222 5.889 113 HB3 LEU 18 1HB LEU 18 -7.812 -5.886 7.359 114 HG LEU 18 HG LEU 18 -5.069 -4.800 6.735 115 HD11 LEU 18 1HD1 LEU 18 -6.226 -2.658 6.421 116 HD12 LEU 18 2HD1 LEU 18 -7.773 -3.494 6.565 117 HD13 LEU 18 3HD1 LEU 18 -6.694 -3.863 5.222 118 HD21 LEU 18 3HD2 LEU 18 -6.998 -4.270 8.986 119 HD22 LEU 18 1HD2 LEU 18 -5.580 -3.280 8.637 120 HD23 LEU 18 2HD2 LEU 18 -5.385 -4.970 9.100 121 H THR 19 H THR 19 -5.997 -9.419 8.812 122 HA THR 19 HA THR 19 -7.274 -11.041 6.827 123 HB THR 19 HB THR 19 -6.997 -12.884 8.423 124 HG1 THR 19 1HG THR 19 -6.058 -12.430 10.465 125 HG21 THR 19 3HG2 THR 19 -4.537 -12.791 8.623 126 HG22 THR 19 1HG2 THR 19 -4.584 -11.080 8.193 127 HG23 THR 19 2HG2 THR 19 -5.100 -12.298 7.025 128 H ASP 20 H ASP 20 -8.634 -8.904 8.877 129 HA ASP 20 HA ASP 20 -11.151 -10.378 8.864 130 HB2 ASP 20 2HB ASP 20 -9.865 -9.253 11.351 131 HB3 ASP 20 1HB ASP 20 -11.579 -9.650 11.252 132 H VAL 21 H VAL 21 -12.994 -9.110 8.888 133 HA VAL 21 HA VAL 21 -12.862 -6.637 7.622 134 HB VAL 21 HB VAL 21 -15.160 -7.606 9.328 135 HG11 VAL 21 1HG1 VAL 21 -15.352 -5.280 8.638 136 HG12 VAL 21 2HG1 VAL 21 -16.533 -6.282 7.795 137 HG13 VAL 21 3HG1 VAL 21 -15.077 -5.743 6.958 138 HG21 VAL 21 3HG2 VAL 21 -14.494 -8.231 6.454 139 HG22 VAL 21 1HG2 VAL 21 -16.029 -8.605 7.238 140 HG23 VAL 21 2HG2 VAL 21 -14.544 -9.368 7.802 141 HA PRO 22 HA PRO 22 -13.786 -4.615 11.990 142 HB2 PRO 22 2HB PRO 22 -12.612 -6.006 14.065 143 HB3 PRO 22 1HB PRO 22 -14.330 -6.070 13.657 144 HG2 PRO 22 2HG PRO 22 -12.139 -7.975 12.949 145 HG3 PRO 22 1HG PRO 22 -13.806 -8.318 13.449 146 HD2 PRO 22 2HD PRO 22 -13.057 -8.471 10.883 147 HD3 PRO 22 1HD PRO 22 -14.662 -7.866 11.342 148 H ALA 23 H ALA 23 -10.848 -6.618 11.728 149 HA ALA 23 HA ALA 23 -9.112 -4.689 12.839 150 HB1 ALA 23 1HB ALA 23 -7.301 -6.050 11.967 151 HB2 ALA 23 2HB ALA 23 -8.425 -6.916 10.919 152 HB3 ALA 23 3HB ALA 23 -8.543 -7.084 12.673 153 H ALA 24 H ALA 24 -10.255 -5.337 9.620 154 HA ALA 24 HA ALA 24 -8.469 -3.682 8.197 155 HB1 ALA 24 1HB ALA 24 -11.277 -4.603 7.567 156 HB2 ALA 24 2HB ALA 24 -9.760 -5.289 6.984 157 HB3 ALA 24 3HB ALA 24 -10.273 -3.689 6.439 158 H MET 25 H MET 25 -11.851 -3.092 9.158 159 HA MET 25 HA MET 25 -11.905 -0.372 8.489 160 HB2 MET 25 2HB MET 25 -13.557 -1.749 10.610 161 HB3 MET 25 1HB MET 25 -13.955 -0.257 9.771 162 HG2 MET 25 2HG MET 25 -13.983 -1.586 7.640 163 HG3 MET 25 1HG MET 25 -13.855 -3.035 8.635 164 HE1 MET 25 3HE MET 25 -15.668 -3.694 10.496 165 HE2 MET 25 1HE MET 25 -17.160 -2.792 10.766 166 HE3 MET 25 2HE MET 25 -15.606 -2.075 11.191 167 H GLU 26 H GLU 26 -10.697 -2.025 11.315 168 HA GLU 26 HA GLU 26 -10.703 0.235 13.046 169 HB2 GLU 26 2HB GLU 26 -9.382 -2.447 13.094 170 HB3 GLU 26 1HB GLU 26 -8.828 -1.199 14.205 171 HG2 GLU 26 2HG GLU 26 -11.233 -0.952 14.925 172 HG3 GLU 26 1HG GLU 26 -11.555 -2.428 14.015 173 H PHE 27 H PHE 27 -8.165 -1.310 11.091 174 HA PHE 27 HA PHE 27 -6.153 0.538 11.718 175 HB2 PHE 27 2HB PHE 27 -6.558 -1.530 9.643 176 HB3 PHE 27 1HB PHE 27 -5.405 -0.256 9.245 177 HD1 PHE 27 1HD PHE 27 -6.174 -2.979 11.601 178 HD2 PHE 27 2HD PHE 27 -3.296 -0.113 10.330 179 HE1 PHE 27 1HE PHE 27 -4.459 -4.103 12.961 180 HE2 PHE 27 2HE PHE 27 -1.575 -1.233 11.688 181 HZ PHE 27 HZ PHE 27 -2.156 -3.231 13.005 182 H ILE 28 H ILE 28 -8.699 0.545 9.306 183 HA ILE 28 HA ILE 28 -7.776 2.863 7.916 184 HB ILE 28 HB ILE 28 -10.444 1.472 8.042 185 HG12 ILE 28 2HG1 ILE 28 -8.666 1.944 5.651 186 HG13 ILE 28 1HG1 ILE 28 -8.438 0.568 6.731 187 HG21 ILE 28 1HG2 ILE 28 -11.210 3.008 6.253 188 HG22 ILE 28 2HG2 ILE 28 -9.779 3.994 6.536 189 HG23 ILE 28 3HG2 ILE 28 -10.982 3.803 7.809 190 HD11 ILE 28 3HD1 ILE 28 -9.770 0.130 4.649 191 HD12 ILE 28 1HD1 ILE 28 -11.036 1.143 5.341 192 HD13 ILE 28 2HD1 ILE 28 -10.545 -0.341 6.163 193 H ALA 29 H ALA 29 -9.878 2.253 10.647 194 HA ALA 29 HA ALA 29 -10.835 4.935 10.879 195 HB1 ALA 29 1HB ALA 29 -10.872 2.648 12.852 196 HB2 ALA 29 2HB ALA 29 -12.160 3.093 11.730 197 HB3 ALA 29 3HB ALA 29 -11.728 4.178 13.052 198 H ALA 30 H ALA 30 -7.980 3.296 11.801 199 HA ALA 30 HA ALA 30 -7.314 5.254 13.871 200 HB1 ALA 30 1HB ALA 30 -5.781 2.827 12.948 201 HB2 ALA 30 2HB ALA 30 -6.876 2.887 14.330 202 HB3 ALA 30 3HB ALA 30 -5.391 3.840 14.339 203 H THR 31 H THR 31 -7.477 5.894 10.960 204 HA THR 31 HA THR 31 -5.166 7.540 10.808 205 HB THR 31 HB THR 31 -4.069 5.453 10.177 206 HG1 THR 31 1HG THR 31 -4.050 7.676 8.801 207 HG21 THR 31 3HG2 THR 31 -4.798 4.029 8.523 208 HG22 THR 31 1HG2 THR 31 -5.729 5.282 7.705 209 HG23 THR 31 2HG2 THR 31 -6.330 4.572 9.201 210 H GLU 32 H GLU 32 -5.202 8.976 9.015 211 HA GLU 32 HA GLU 32 -7.788 9.713 8.145 212 HB2 GLU 32 2HB GLU 32 -5.607 11.118 8.395 213 HB3 GLU 32 1HB GLU 32 -5.281 10.597 6.747 214 HG2 GLU 32 2HG GLU 32 -7.322 11.607 5.977 215 HG3 GLU 32 1HG GLU 32 -7.771 12.031 7.629 216 H VAL 33 H VAL 33 -5.140 9.156 5.855 217 HA VAL 33 HA VAL 33 -7.042 7.935 4.013 218 HB VAL 33 HB VAL 33 -4.146 8.598 3.496 219 HG11 VAL 33 1HG1 VAL 33 -5.082 7.054 1.888 220 HG12 VAL 33 2HG1 VAL 33 -4.879 8.639 1.137 221 HG13 VAL 33 3HG1 VAL 33 -6.483 8.104 1.651 222 HG21 VAL 33 3HG2 VAL 33 -5.000 10.665 2.445 223 HG22 VAL 33 1HG2 VAL 33 -5.273 10.615 4.188 224 HG23 VAL 33 2HG2 VAL 33 -6.605 10.288 3.077 225 H ALA 34 H ALA 34 -7.017 5.826 3.416 226 HA ALA 34 HA ALA 34 -4.791 4.144 4.315 227 HB1 ALA 34 1HB ALA 34 -7.695 3.694 4.949 228 HB2 ALA 34 2HB ALA 34 -6.353 3.878 6.079 229 HB3 ALA 34 3HB ALA 34 -6.471 2.431 5.075 230 H VAL 35 H VAL 35 -4.102 2.841 2.776 231 HA VAL 35 HA VAL 35 -5.958 2.145 0.600 232 HB VAL 35 HB VAL 35 -2.982 2.609 0.523 233 HG11 VAL 35 1HG1 VAL 35 -3.395 0.585 -0.746 234 HG12 VAL 35 2HG1 VAL 35 -3.092 1.920 -1.856 235 HG13 VAL 35 3HG1 VAL 35 -4.739 1.353 -1.588 236 HG21 VAL 35 3HG2 VAL 35 -3.655 4.201 -1.250 237 HG22 VAL 35 1HG2 VAL 35 -4.359 4.576 0.325 238 HG23 VAL 35 2HG2 VAL 35 -5.343 3.801 -0.917 239 H ILE 36 H ILE 36 -6.326 0.066 0.211 240 HA ILE 36 HA ILE 36 -4.603 -1.921 1.510 241 HB ILE 36 HB ILE 36 -7.607 -1.807 1.721 242 HG12 ILE 36 2HG1 ILE 36 -5.696 -1.877 4.022 243 HG13 ILE 36 1HG1 ILE 36 -5.962 -0.359 3.177 244 HG21 ILE 36 1HG2 ILE 36 -5.644 -3.913 2.627 245 HG22 ILE 36 2HG2 ILE 36 -6.982 -4.104 1.490 246 HG23 ILE 36 3HG2 ILE 36 -7.313 -3.805 3.197 247 HD11 ILE 36 3HD1 ILE 36 -7.398 -0.404 5.043 248 HD12 ILE 36 1HD1 ILE 36 -7.974 -2.024 4.641 249 HD13 ILE 36 2HD1 ILE 36 -8.398 -0.656 3.611 250 H GLY 37 H GLY 37 -4.269 -3.760 0.426 251 HA2 GLY 37 2HA GLY 37 -5.480 -3.966 -2.232 252 HA3 GLY 37 1HA GLY 37 -3.986 -4.729 -1.731 253 H PHE 38 H PHE 38 -7.411 -5.022 -1.943 254 HA PHE 38 HA PHE 38 -7.574 -7.426 -0.330 255 HB2 PHE 38 2HB PHE 38 -9.640 -6.221 -2.186 256 HB3 PHE 38 1HB PHE 38 -9.921 -7.441 -0.948 257 HD1 PHE 38 2HD PHE 38 -8.670 -3.959 -1.350 258 HD2 PHE 38 1HD PHE 38 -10.619 -6.793 1.151 259 HE1 PHE 38 2HE PHE 38 -9.128 -2.190 0.291 260 HE2 PHE 38 1HE PHE 38 -11.082 -5.023 2.797 261 HZ PHE 38 HZ PHE 38 -10.334 -2.720 2.368 262 H PHE 39 H PHE 39 -6.194 -8.883 -1.316 263 HA PHE 39 HA PHE 39 -6.837 -9.629 -4.088 264 HB2 PHE 39 2HB PHE 39 -4.307 -10.281 -2.583 265 HB3 PHE 39 1HB PHE 39 -4.599 -10.435 -4.313 266 HD1 PHE 39 2HD PHE 39 -5.812 -7.892 -5.011 267 HD2 PHE 39 1HD PHE 39 -2.618 -8.729 -2.329 268 HE1 PHE 39 2HE PHE 39 -4.929 -5.626 -5.365 269 HE2 PHE 39 1HE PHE 39 -1.728 -6.462 -2.678 270 HZ PHE 39 HZ PHE 39 -2.884 -4.908 -4.199 271 H GLN 40 H GLN 40 -7.392 -11.659 -4.614 272 HA GLN 40 HA GLN 40 -8.007 -13.510 -2.472 273 HB2 GLN 40 2HB GLN 40 -8.379 -13.743 -5.469 274 HB3 GLN 40 1HB GLN 40 -8.984 -14.892 -4.284 275 HG2 GLN 40 2HG GLN 40 -10.416 -13.172 -3.328 276 HG3 GLN 40 1HG GLN 40 -9.795 -12.002 -4.493 277 HE21 GLN 40 1HE2 GLN 40 -11.826 -11.627 -5.362 278 HE22 GLN 40 2HE2 GLN 40 -12.630 -12.779 -6.366 279 H ASP 41 H ASP 41 -5.416 -12.745 -4.367 280 HA ASP 41 HA ASP 41 -3.980 -15.162 -3.646 281 HB2 ASP 41 2HB ASP 41 -4.966 -15.556 -5.941 282 HB3 ASP 41 1HB ASP 41 -4.009 -14.189 -6.517 283 H LEU 42 H LEU 42 -2.019 -14.564 -2.890 284 HA LEU 42 HA LEU 42 -1.156 -11.825 -3.396 285 HB2 LEU 42 2HB LEU 42 -0.140 -13.870 -1.427 286 HB3 LEU 42 1HB LEU 42 0.474 -12.232 -1.574 287 HG LEU 42 HG LEU 42 -2.333 -12.994 -0.770 288 HD11 LEU 42 1HD1 LEU 42 -0.658 -13.480 0.947 289 HD12 LEU 42 2HD1 LEU 42 -1.705 -12.142 1.420 290 HD13 LEU 42 3HD1 LEU 42 -0.070 -11.819 0.841 291 HD21 LEU 42 3HD2 LEU 42 -2.522 -10.562 -0.241 292 HD22 LEU 42 1HD2 LEU 42 -2.401 -10.920 -1.964 293 HD23 LEU 42 2HD2 LEU 42 -0.996 -10.311 -1.088 294 H GLU 43 H GLU 43 -0.897 -13.319 -5.623 295 HA GLU 43 HA GLU 43 2.016 -13.433 -5.923 296 HB2 GLU 43 2HB GLU 43 0.091 -15.511 -6.984 297 HB3 GLU 43 1HB GLU 43 1.799 -15.425 -7.381 298 HG2 GLU 43 2HG GLU 43 2.293 -15.708 -4.956 299 HG3 GLU 43 1HG GLU 43 0.573 -16.000 -4.704 300 H ILE 44 H ILE 44 -0.533 -11.803 -6.655 301 HA ILE 44 HA ILE 44 -0.248 -11.667 -9.557 302 HB ILE 44 HB ILE 44 -2.073 -9.866 -9.246 303 HG12 ILE 44 2HG1 ILE 44 -2.679 -11.307 -6.709 304 HG13 ILE 44 1HG1 ILE 44 -1.534 -9.975 -6.672 305 HG21 ILE 44 1HG2 ILE 44 -3.798 -11.529 -9.315 306 HG22 ILE 44 2HG2 ILE 44 -2.762 -12.710 -8.511 307 HG23 ILE 44 3HG2 ILE 44 -2.381 -12.168 -10.149 308 HD11 ILE 44 3HD1 ILE 44 -3.550 -8.992 -6.141 309 HD12 ILE 44 1HD1 ILE 44 -4.438 -9.944 -7.331 310 HD13 ILE 44 2HD1 ILE 44 -3.369 -8.647 -7.862 311 HA PRO 45 HA PRO 45 2.348 -8.112 -9.862 312 HB2 PRO 45 2HB PRO 45 0.132 -6.802 -11.374 313 HB3 PRO 45 1HB PRO 45 1.832 -6.989 -11.817 314 HG2 PRO 45 2HG PRO 45 -0.005 -8.521 -12.954 315 HG3 PRO 45 1HG PRO 45 1.549 -9.217 -12.455 316 HD2 PRO 45 2HD PRO 45 -1.131 -9.421 -11.140 317 HD3 PRO 45 1HD PRO 45 0.141 -10.651 -11.307 318 H ALA 46 H ALA 46 -0.954 -7.683 -8.828 319 HA ALA 46 HA ALA 46 -0.806 -4.985 -8.026 320 HB1 ALA 46 1HB ALA 46 -2.882 -6.359 -8.396 321 HB2 ALA 46 2HB ALA 46 -2.884 -5.341 -6.953 322 HB3 ALA 46 3HB ALA 46 -2.587 -7.076 -6.811 323 H VAL 47 H VAL 47 -0.065 -7.989 -6.313 324 HA VAL 47 HA VAL 47 0.079 -6.893 -3.735 325 HB VAL 47 HB VAL 47 1.855 -9.170 -4.532 326 HG11 VAL 47 1HG1 VAL 47 1.951 -8.394 -2.229 327 HG12 VAL 47 2HG1 VAL 47 1.226 -10.000 -2.310 328 HG13 VAL 47 3HG1 VAL 47 0.204 -8.583 -2.076 329 HG21 VAL 47 3HG2 VAL 47 -1.129 -9.328 -4.128 330 HG22 VAL 47 1HG2 VAL 47 -0.035 -10.695 -4.338 331 HG23 VAL 47 2HG2 VAL 47 -0.282 -9.553 -5.658 332 HA PRO 48 HA PRO 48 4.892 -6.384 -4.442 333 HB2 PRO 48 2HB PRO 48 4.979 -6.145 -7.397 334 HB3 PRO 48 1HB PRO 48 6.099 -6.970 -6.304 335 HG2 PRO 48 2HG PRO 48 4.431 -8.358 -7.847 336 HG3 PRO 48 1HG PRO 48 4.785 -8.878 -6.190 337 HD2 PRO 48 2HD PRO 48 2.379 -7.456 -7.255 338 HD3 PRO 48 1HD PRO 48 2.474 -8.775 -6.078 339 H ILE 49 H ILE 49 2.736 -5.038 -6.889 340 HA ILE 49 HA ILE 49 3.896 -2.488 -7.048 341 HB ILE 49 HB ILE 49 1.273 -3.655 -7.819 342 HG12 ILE 49 2HG1 ILE 49 3.051 -1.983 -9.534 343 HG13 ILE 49 1HG1 ILE 49 3.563 -3.609 -9.102 344 HG21 ILE 49 1HG2 ILE 49 0.378 -1.649 -7.106 345 HG22 ILE 49 2HG2 ILE 49 0.743 -1.335 -8.802 346 HG23 ILE 49 3HG2 ILE 49 1.822 -0.739 -7.541 347 HD11 ILE 49 3HD1 ILE 49 1.762 -4.590 -10.220 348 HD12 ILE 49 1HD1 ILE 49 2.339 -3.321 -11.298 349 HD13 ILE 49 2HD1 ILE 49 0.886 -3.065 -10.330 350 H LEU 50 H LEU 50 1.501 -3.853 -4.867 351 HA LEU 50 HA LEU 50 0.812 -1.330 -3.690 352 HB2 LEU 50 2HB LEU 50 -0.800 -3.110 -3.596 353 HB3 LEU 50 1HB LEU 50 0.340 -4.167 -2.795 354 HG LEU 50 HG LEU 50 0.315 -2.556 -0.850 355 HD11 LEU 50 1HD1 LEU 50 -1.521 -1.000 -0.669 356 HD12 LEU 50 2HD1 LEU 50 -2.106 -1.463 -2.269 357 HD13 LEU 50 3HD1 LEU 50 -0.563 -0.629 -2.102 358 HD21 LEU 50 3HD2 LEU 50 -1.574 -3.537 0.130 359 HD22 LEU 50 1HD2 LEU 50 -1.024 -4.717 -1.059 360 HD23 LEU 50 2HD2 LEU 50 -2.415 -3.686 -1.417 361 H HIS 51 H HIS 51 2.755 -4.123 -2.620 362 HA HIS 51 HA HIS 51 3.718 -3.079 -0.242 363 HB2 HIS 51 2HB HIS 51 4.955 -4.963 -2.242 364 HB3 HIS 51 1HB HIS 51 5.807 -4.498 -0.774 365 HD1 HIS 51 1HD HIS 51 2.283 -5.780 -1.504 366 HD2 HIS 51 2HD HIS 51 5.463 -6.391 1.100 367 HE1 HIS 51 1HE HIS 51 1.549 -7.629 0.031 368 HE2 HIS 51 2HE HIS 51 3.454 -7.922 1.651 369 H SER 52 H SER 52 4.488 -2.281 -3.514 370 HA SER 52 HA SER 52 6.928 -0.872 -2.880 371 HB2 SER 52 2HB SER 52 6.680 -1.946 -5.070 372 HB3 SER 52 1HB SER 52 5.286 -0.926 -5.425 373 HG SER 52 HG SER 52 7.638 0.366 -4.697 374 H MET 53 H MET 53 3.616 0.015 -3.854 375 HA MET 53 HA MET 53 3.971 2.786 -3.829 376 HB2 MET 53 2HB MET 53 1.667 2.969 -3.990 377 HB3 MET 53 1HB MET 53 1.934 1.342 -4.596 378 HG2 MET 53 2HG MET 53 0.134 1.073 -3.190 379 HG3 MET 53 1HG MET 53 1.489 0.606 -2.172 380 HE1 MET 53 3HE MET 53 -1.195 1.158 -0.813 381 HE2 MET 53 1HE MET 53 -0.789 2.282 0.483 382 HE3 MET 53 2HE MET 53 0.273 0.918 0.133 383 H VAL 54 H VAL 54 3.645 0.478 -1.297 384 HA VAL 54 HA VAL 54 2.789 1.958 0.859 385 HB VAL 54 HB VAL 54 4.854 -0.226 0.723 386 HG11 VAL 54 1HG1 VAL 54 4.595 -0.483 3.135 387 HG12 VAL 54 2HG1 VAL 54 3.567 0.948 3.173 388 HG13 VAL 54 3HG1 VAL 54 5.265 1.096 2.722 389 HG21 VAL 54 3HG2 VAL 54 2.852 -1.400 1.918 390 HG22 VAL 54 1HG2 VAL 54 2.854 -1.206 0.165 391 HG23 VAL 54 2HG2 VAL 54 1.912 -0.109 1.169 392 H GLN 55 H GLN 55 6.099 1.643 -0.381 393 HA GLN 55 HA GLN 55 7.157 3.488 1.543 394 HB2 GLN 55 2HB GLN 55 8.524 2.597 -0.976 395 HB3 GLN 55 1HB GLN 55 9.243 3.109 0.545 396 HG2 GLN 55 2HG GLN 55 8.378 1.082 1.621 397 HG3 GLN 55 1HG GLN 55 7.706 0.566 0.074 398 HE21 GLN 55 1HE2 GLN 55 10.767 2.210 0.347 399 HE22 GLN 55 2HE2 GLN 55 11.755 0.858 -0.078 400 H LYS 56 H LYS 56 5.470 3.785 -1.344 401 HA LYS 56 HA LYS 56 6.682 6.327 -2.107 402 HB2 LYS 56 2HB LYS 56 4.358 4.848 -3.354 403 HB3 LYS 56 1HB LYS 56 5.198 6.232 -4.037 404 HG2 LYS 56 2HG LYS 56 7.217 4.932 -4.290 405 HG3 LYS 56 1HG LYS 56 6.454 3.547 -3.507 406 HD2 LYS 56 2HD LYS 56 6.346 3.127 -5.832 407 HD3 LYS 56 1HD LYS 56 4.723 3.631 -5.355 408 HE2 LYS 56 2HE LYS 56 5.186 4.796 -7.350 409 HE3 LYS 56 1HE LYS 56 5.399 5.969 -6.050 410 HZ1 LYS 56 3HZ LYS 56 7.781 5.624 -6.165 411 HZ2 LYS 56 1HZ LYS 56 7.184 6.102 -7.675 412 HZ3 LYS 56 2HZ LYS 56 7.587 4.483 -7.397 413 H PHE 57 H PHE 57 4.158 5.097 -0.209 414 HA PHE 57 HA PHE 57 3.091 7.797 0.164 415 HB2 PHE 57 2HB PHE 57 1.532 5.327 -0.522 416 HB3 PHE 57 1HB PHE 57 0.787 6.649 0.376 417 HD1 PHE 57 1HD PHE 57 0.438 8.820 -0.666 418 HD2 PHE 57 2HD PHE 57 2.084 5.556 -2.845 419 HE1 PHE 57 1HE PHE 57 -0.007 10.009 -2.772 420 HE2 PHE 57 2HE PHE 57 1.640 6.740 -4.956 421 HZ PHE 57 HZ PHE 57 0.594 8.968 -4.922 422 HA PRO 58 HA PRO 58 4.260 5.471 4.139 423 HB2 PRO 58 2HB PRO 58 5.256 7.852 5.210 424 HB3 PRO 58 1HB PRO 58 6.226 6.560 4.497 425 HG2 PRO 58 2HG PRO 58 5.253 9.104 3.265 426 HG3 PRO 58 1HG PRO 58 6.818 8.288 3.071 427 HD2 PRO 58 2HD PRO 58 4.971 8.123 1.165 428 HD3 PRO 58 1HD PRO 58 5.942 6.702 1.597 429 H GLY 59 H GLY 59 3.032 8.781 3.640 430 HA2 GLY 59 2HA GLY 59 1.645 9.068 6.040 431 HA3 GLY 59 1HA GLY 59 1.219 9.870 4.535 432 H VAL 60 H VAL 60 0.666 7.571 3.009 433 HA VAL 60 HA VAL 60 -2.033 7.084 3.746 434 HB VAL 60 HB VAL 60 -0.217 5.971 1.619 435 HG11 VAL 60 1HG1 VAL 60 -3.064 5.110 2.150 436 HG12 VAL 60 2HG1 VAL 60 -1.624 4.100 2.290 437 HG13 VAL 60 3HG1 VAL 60 -2.125 4.708 0.712 438 HG21 VAL 60 3HG2 VAL 60 -1.068 8.170 1.203 439 HG22 VAL 60 1HG2 VAL 60 -2.712 7.661 1.594 440 HG23 VAL 60 2HG2 VAL 60 -1.917 7.042 0.146 441 H SER 61 H SER 61 -2.993 5.217 4.569 442 HA SER 61 HA SER 61 -1.253 3.611 6.224 443 HB2 SER 61 2HB SER 61 -3.443 4.459 7.048 444 HB3 SER 61 1HB SER 61 -4.249 3.409 5.886 445 HG SER 61 HG SER 61 -3.504 1.636 6.967 446 H PHE 62 H PHE 62 -0.097 2.257 4.979 447 HA PHE 62 HA PHE 62 -1.070 0.798 2.778 448 HB2 PHE 62 2HB PHE 62 0.999 -0.690 3.368 449 HB3 PHE 62 1HB PHE 62 1.240 0.964 2.808 450 HD1 PHE 62 1HD PHE 62 1.333 -1.254 5.738 451 HD2 PHE 62 2HD PHE 62 2.118 2.654 4.250 452 HE1 PHE 62 1HE PHE 62 2.614 -0.740 7.773 453 HE2 PHE 62 2HE PHE 62 3.404 3.175 6.281 454 HZ PHE 62 HZ PHE 62 3.653 1.475 8.046 455 H GLY 63 H GLY 63 -2.295 -0.952 2.670 456 HA2 GLY 63 2HA GLY 63 -2.303 -2.860 4.891 457 HA3 GLY 63 1HA GLY 63 -3.835 -2.120 4.444 458 H ILE 64 H ILE 64 -3.417 -4.871 4.368 459 HA ILE 64 HA ILE 64 -4.108 -5.382 1.622 460 HB ILE 64 HB ILE 64 -1.495 -5.520 1.967 461 HG12 ILE 64 2HG1 ILE 64 -3.054 -7.617 0.451 462 HG13 ILE 64 1HG1 ILE 64 -2.711 -5.990 -0.117 463 HG21 ILE 64 1HG2 ILE 64 -0.735 -7.805 2.426 464 HG22 ILE 64 2HG2 ILE 64 -2.386 -8.263 2.837 465 HG23 ILE 64 3HG2 ILE 64 -1.528 -7.083 3.824 466 HD11 ILE 64 3HD1 ILE 64 -0.316 -6.493 -0.086 467 HD12 ILE 64 1HD1 ILE 64 -1.212 -7.587 -1.142 468 HD13 ILE 64 2HD1 ILE 64 -0.679 -8.137 0.446 469 H SER 65 H SER 65 -5.341 -7.219 1.397 470 HA SER 65 HA SER 65 -5.620 -8.978 3.716 471 HB2 SER 65 2HB SER 65 -7.300 -7.274 4.109 472 HB3 SER 65 1HB SER 65 -7.920 -7.461 2.467 473 HG SER 65 HG SER 65 -7.896 -9.514 4.425 474 H THR 66 H THR 66 -6.675 -10.959 3.292 475 HA THR 66 HA THR 66 -7.150 -11.636 0.484 476 HB THR 66 HB THR 66 -5.886 -13.751 0.730 477 HG1 THR 66 1HG THR 66 -5.952 -13.663 3.115 478 HG21 THR 66 3HG2 THR 66 -3.686 -12.811 0.456 479 HG22 THR 66 1HG2 THR 66 -4.177 -11.326 1.270 480 HG23 THR 66 2HG2 THR 66 -4.864 -11.739 -0.301 481 H ASP 67 H ASP 67 -8.276 -11.530 3.513 482 HA ASP 67 HA ASP 67 -9.457 -14.116 3.809 483 HB2 ASP 67 2HB ASP 67 -8.948 -12.563 5.709 484 HB3 ASP 67 1HB ASP 67 -10.264 -11.533 5.156 485 H SER 68 H SER 68 -11.492 -14.796 3.311 486 HA SER 68 HA SER 68 -12.799 -13.624 1.120 487 HB2 SER 68 2HB SER 68 -13.839 -15.661 3.103 488 HB3 SER 68 1HB SER 68 -14.580 -15.289 1.548 489 HG SER 68 HG SER 68 -12.944 -17.136 1.820 490 H GLU 69 H GLU 69 -13.733 -13.734 4.558 491 HA GLU 69 HA GLU 69 -16.137 -12.408 4.440 492 HB2 GLU 69 2HB GLU 69 -14.070 -12.049 6.608 493 HB3 GLU 69 1HB GLU 69 -15.804 -11.793 6.752 494 HG2 GLU 69 2HG GLU 69 -16.205 -14.159 6.385 495 HG3 GLU 69 1HG GLU 69 -14.475 -14.433 6.184 496 H VAL 70 H VAL 70 -12.903 -10.958 4.636 497 HA VAL 70 HA VAL 70 -13.865 -8.289 4.722 498 HB VAL 70 HB VAL 70 -11.155 -9.392 3.981 499 HG11 VAL 70 1HG1 VAL 70 -10.359 -7.043 4.337 500 HG12 VAL 70 2HG1 VAL 70 -12.048 -6.537 4.293 501 HG13 VAL 70 3HG1 VAL 70 -11.316 -7.292 2.876 502 HG21 VAL 70 3HG2 VAL 70 -11.989 -7.899 6.456 503 HG22 VAL 70 1HG2 VAL 70 -10.471 -8.746 6.164 504 HG23 VAL 70 2HG2 VAL 70 -11.969 -9.660 6.341 505 H LEU 71 H LEU 71 -12.373 -10.186 2.108 506 HA LEU 71 HA LEU 71 -12.685 -8.302 0.077 507 HB2 LEU 71 2HB LEU 71 -12.341 -11.261 0.156 508 HB3 LEU 71 1HB LEU 71 -12.806 -10.521 -1.365 509 HG LEU 71 HG LEU 71 -10.805 -9.231 -1.457 510 HD11 LEU 71 1HD1 LEU 71 -10.631 -8.572 0.860 511 HD12 LEU 71 2HD1 LEU 71 -9.113 -9.291 0.323 512 HD13 LEU 71 3HD1 LEU 71 -10.221 -10.223 1.328 513 HD21 LEU 71 3HD2 LEU 71 -10.568 -11.534 -2.176 514 HD22 LEU 71 1HD2 LEU 71 -10.172 -12.027 -0.529 515 HD23 LEU 71 2HD2 LEU 71 -9.076 -10.970 -1.422 516 H THR 72 H THR 72 -15.005 -10.129 1.740 517 HA THR 72 HA THR 72 -17.001 -9.998 -0.374 518 HB THR 72 HB THR 72 -17.201 -10.980 2.483 519 HG1 THR 72 1HG THR 72 -17.608 -12.827 0.549 520 HG21 THR 72 3HG2 THR 72 -19.352 -12.021 1.599 521 HG22 THR 72 1HG2 THR 72 -19.207 -10.915 0.231 522 HG23 THR 72 2HG2 THR 72 -19.379 -10.277 1.866 523 H HIS 73 H HIS 73 -16.331 -8.591 2.794 524 HA HIS 73 HA HIS 73 -18.640 -7.037 3.056 525 HB2 HIS 73 2HB HIS 73 -17.078 -7.444 4.908 526 HB3 HIS 73 1HB HIS 73 -15.848 -6.486 4.094 527 HD1 HIS 73 1HD HIS 73 -15.884 -4.007 4.485 528 HD2 HIS 73 2HD HIS 73 -19.329 -5.888 5.846 529 HE1 HIS 73 1HE HIS 73 -17.147 -2.249 5.766 530 HE2 HIS 73 2HE HIS 73 -19.273 -3.386 6.498 531 H TYR 74 H TYR 74 -15.591 -6.437 1.402 532 HA TYR 74 HA TYR 74 -16.497 -3.776 0.600 533 HB2 TYR 74 2HB TYR 74 -13.863 -5.215 0.323 534 HB3 TYR 74 1HB TYR 74 -14.189 -3.680 -0.475 535 HD1 TYR 74 1HD TYR 74 -13.944 -5.322 2.839 536 HD2 TYR 74 2HD TYR 74 -14.039 -1.642 0.707 537 HE1 TYR 74 1HE TYR 74 -13.290 -4.126 4.884 538 HE2 TYR 74 2HE TYR 74 -13.386 -0.436 2.746 539 HH TYR 74 HH TYR 74 -12.216 -2.009 5.517 540 H ASN 75 H ASN 75 -17.353 -6.607 -0.407 541 HA ASN 75 HA ASN 75 -18.122 -7.512 -2.346 542 HB2 ASN 75 2HB ASN 75 -17.994 -4.619 -3.207 543 HB3 ASN 75 1HB ASN 75 -18.787 -5.895 -4.127 544 HD21 ASN 75 1HD2 ASN 75 -20.681 -6.824 -3.319 545 HD22 ASN 75 2HD2 ASN 75 -21.626 -6.045 -2.099 546 H ILE 76 H ILE 76 -15.143 -7.040 -1.930 547 HA ILE 76 HA ILE 76 -13.848 -6.542 -4.349 548 HB ILE 76 HB ILE 76 -12.956 -8.516 -2.250 549 HG12 ILE 76 2HG1 ILE 76 -13.537 -6.372 -1.219 550 HG13 ILE 76 1HG1 ILE 76 -11.803 -6.643 -1.179 551 HG21 ILE 76 1HG2 ILE 76 -11.415 -6.914 -4.275 552 HG22 ILE 76 2HG2 ILE 76 -11.660 -8.658 -4.276 553 HG23 ILE 76 3HG2 ILE 76 -10.696 -7.903 -3.007 554 HD11 ILE 76 3HD1 ILE 76 -11.480 -5.104 -3.008 555 HD12 ILE 76 1HD1 ILE 76 -12.402 -4.325 -1.723 556 HD13 ILE 76 2HD1 ILE 76 -13.223 -4.896 -3.175 557 H THR 77 H THR 77 -13.928 -7.584 -6.234 558 HA THR 77 HA THR 77 -14.173 -10.504 -6.251 559 HB THR 77 HB THR 77 -15.824 -10.417 -8.093 560 HG1 THR 77 1HG THR 77 -15.248 -8.114 -8.581 561 HG21 THR 77 3HG2 THR 77 -16.706 -9.027 -5.564 562 HG22 THR 77 1HG2 THR 77 -16.607 -10.769 -5.814 563 HG23 THR 77 2HG2 THR 77 -17.772 -9.814 -6.727 564 H GLY 78 H GLY 78 -11.794 -9.423 -6.651 565 HA2 GLY 78 2HA GLY 78 -10.786 -10.392 -8.955 566 HA3 GLY 78 1HA GLY 78 -11.352 -8.805 -9.449 567 H ASN 79 H ASN 79 -9.792 -9.884 -6.439 568 HA ASN 79 HA ASN 79 -8.009 -9.040 -5.298 569 HB2 ASN 79 2HB ASN 79 -6.879 -8.777 -8.089 570 HB3 ASN 79 1HB ASN 79 -5.948 -8.828 -6.596 571 HD21 ASN 79 1HD2 ASN 79 -5.694 -10.772 -5.519 572 HD22 ASN 79 2HD2 ASN 79 -6.070 -12.291 -6.249 573 H THR 80 H THR 80 -9.987 -7.201 -5.708 574 HA THR 80 HA THR 80 -9.139 -4.760 -6.860 575 HB THR 80 HB THR 80 -11.273 -5.314 -4.782 576 HG1 THR 80 1HG THR 80 -12.580 -4.996 -6.806 577 HG21 THR 80 3HG2 THR 80 -10.655 -2.948 -4.778 578 HG22 THR 80 1HG2 THR 80 -12.259 -3.181 -5.474 579 HG23 THR 80 2HG2 THR 80 -10.876 -2.879 -6.526 580 H ILE 81 H ILE 81 -8.592 -2.806 -5.855 581 HA ILE 81 HA ILE 81 -7.412 -3.009 -3.156 582 HB ILE 81 HB ILE 81 -6.466 -1.382 -5.527 583 HG12 ILE 81 2HG1 ILE 81 -5.150 -3.599 -3.943 584 HG13 ILE 81 1HG1 ILE 81 -5.774 -3.730 -5.583 585 HG21 ILE 81 1HG2 ILE 81 -4.720 -0.504 -4.068 586 HG22 ILE 81 2HG2 ILE 81 -5.413 -1.374 -2.699 587 HG23 ILE 81 3HG2 ILE 81 -6.320 -0.069 -3.467 588 HD11 ILE 81 3HD1 ILE 81 -3.405 -3.523 -5.681 589 HD12 ILE 81 1HD1 ILE 81 -3.438 -2.090 -4.653 590 HD13 ILE 81 2HD1 ILE 81 -4.117 -2.022 -6.280 591 H CYS 82 H CYS 82 -8.482 -1.782 -1.716 592 HA CYS 82 HA CYS 82 -10.090 0.429 -2.786 593 HB2 CYS 82 2HB CYS 82 -10.433 -1.091 -0.206 594 HB3 CYS 82 1HB CYS 82 -11.484 0.196 -0.783 595 HG CYS 82 HG CYS 82 -11.022 -2.612 -2.654 596 H LEU 83 H LEU 83 -9.894 2.452 -2.086 597 HA LEU 83 HA LEU 83 -7.877 3.007 -0.024 598 HB2 LEU 83 2HB LEU 83 -7.080 4.017 -1.944 599 HB3 LEU 83 1HB LEU 83 -8.678 4.411 -2.535 600 HG LEU 83 HG LEU 83 -8.868 6.266 -1.018 601 HD11 LEU 83 1HD1 LEU 83 -6.127 5.695 0.065 602 HD12 LEU 83 2HD1 LEU 83 -7.591 5.105 0.850 603 HD13 LEU 83 3HD1 LEU 83 -7.333 6.838 0.655 604 HD21 LEU 83 3HD2 LEU 83 -6.955 7.650 -1.764 605 HD22 LEU 83 1HD2 LEU 83 -7.719 6.745 -3.070 606 HD23 LEU 83 2HD2 LEU 83 -6.188 6.192 -2.391 607 H PHE 84 H PHE 84 -8.982 3.227 1.846 608 HA PHE 84 HA PHE 84 -11.482 4.733 1.861 609 HB2 PHE 84 2HB PHE 84 -10.986 2.449 3.091 610 HB3 PHE 84 1HB PHE 84 -10.328 3.514 4.328 611 HD1 PHE 84 2HD PHE 84 -11.887 5.472 5.072 612 HD2 PHE 84 1HD PHE 84 -13.230 1.937 3.121 613 HE1 PHE 84 2HE PHE 84 -14.154 5.856 5.946 614 HE2 PHE 84 1HE PHE 84 -15.501 2.316 3.989 615 HZ PHE 84 HZ PHE 84 -15.965 4.277 5.404 616 H ARG 85 H ARG 85 -11.431 6.847 2.261 617 HA ARG 85 HA ARG 85 -9.121 7.950 3.713 618 HB2 ARG 85 2HB ARG 85 -11.035 9.823 2.474 619 HB3 ARG 85 1HB ARG 85 -9.278 9.823 2.456 620 HG2 ARG 85 2HG ARG 85 -9.292 8.079 0.742 621 HG3 ARG 85 1HG ARG 85 -11.064 8.109 0.746 622 HD2 ARG 85 2HD ARG 85 -9.185 10.319 -0.071 623 HD3 ARG 85 1HD ARG 85 -10.313 9.431 -1.096 624 HE ARG 85 HE ARG 85 -11.649 10.780 1.029 625 HH11 ARG 85 1HH1 ARG 85 -10.211 11.231 -2.113 626 HH12 ARG 85 2HH1 ARG 85 -11.165 12.628 -2.492 627 HH21 ARG 85 1HH2 ARG 85 -12.910 12.617 0.536 628 HH22 ARG 85 2HH2 ARG 85 -12.704 13.411 -0.989 629 H LEU 86 H LEU 86 -9.932 7.283 5.751 630 HA LEU 86 HA LEU 86 -12.141 7.436 7.111 631 HB2 LEU 86 2HB LEU 86 -10.358 7.008 8.463 632 HB3 LEU 86 1HB LEU 86 -9.418 8.347 7.837 633 HG LEU 86 HG LEU 86 -10.892 9.898 9.142 634 HD11 LEU 86 1HD1 LEU 86 -11.870 7.336 10.395 635 HD12 LEU 86 2HD1 LEU 86 -12.822 8.413 9.373 636 HD13 LEU 86 3HD1 LEU 86 -12.242 8.971 10.942 637 HD21 LEU 86 3HD2 LEU 86 -8.717 9.328 9.975 638 HD22 LEU 86 1HD2 LEU 86 -9.322 7.806 10.636 639 HD23 LEU 86 2HD2 LEU 86 -9.857 9.341 11.322 640 H VAL 87 H VAL 87 -10.277 10.466 6.816 641 HA VAL 87 HA VAL 87 -11.874 12.262 8.003 642 HB VAL 87 HB VAL 87 -11.284 13.749 5.832 643 HG11 VAL 87 1HG1 VAL 87 -9.394 12.886 8.018 644 HG12 VAL 87 2HG1 VAL 87 -10.547 14.219 8.084 645 HG13 VAL 87 3HG1 VAL 87 -9.171 14.298 6.985 646 HG21 VAL 87 3HG2 VAL 87 -9.355 11.435 5.830 647 HG22 VAL 87 1HG2 VAL 87 -9.096 12.959 4.979 648 HG23 VAL 87 2HG2 VAL 87 -10.442 11.914 4.524 649 H ASP 88 H ASP 88 -12.247 11.583 4.518 650 HA ASP 88 HA ASP 88 -14.932 12.703 4.644 651 HB2 ASP 88 2HB ASP 88 -13.139 11.941 2.342 652 HB3 ASP 88 1HB ASP 88 -14.808 12.465 2.126 653 H ASN 89 H ASN 89 -13.614 9.809 5.192 654 HA ASN 89 HA ASN 89 -14.276 7.641 5.135 655 HB2 ASN 89 2HB ASN 89 -16.049 8.724 6.507 656 HB3 ASN 89 1HB ASN 89 -17.046 8.832 5.061 657 HD21 ASN 89 1HD2 ASN 89 -15.676 6.743 7.460 658 HD22 ASN 89 2HD2 ASN 89 -16.625 5.347 7.089 659 H GLU 90 H GLU 90 -13.628 8.676 2.598 660 HA GLU 90 HA GLU 90 -15.634 7.700 0.739 661 HB2 GLU 90 2HB GLU 90 -12.848 8.703 0.148 662 HB3 GLU 90 1HB GLU 90 -14.160 8.489 -1.005 663 HG2 GLU 90 2HG GLU 90 -14.206 10.410 1.299 664 HG3 GLU 90 1HG GLU 90 -13.766 10.835 -0.353 665 H GLN 91 H GLN 91 -15.130 6.084 -0.885 666 HA GLN 91 HA GLN 91 -12.981 4.233 -0.146 667 HB2 GLN 91 2HB GLN 91 -15.132 3.468 0.876 668 HB3 GLN 91 1HB GLN 91 -15.808 3.343 -0.742 669 HG2 GLN 91 2HG GLN 91 -13.305 1.876 -0.021 670 HG3 GLN 91 1HG GLN 91 -14.885 1.230 0.414 671 HE21 GLN 91 1HE2 GLN 91 -16.208 2.262 -1.939 672 HE22 GLN 91 2HE2 GLN 91 -15.690 1.288 -3.267 673 H LEU 92 H LEU 92 -11.736 4.502 -1.913 674 HA LEU 92 HA LEU 92 -12.931 4.516 -4.563 675 HB2 LEU 92 2HB LEU 92 -10.038 4.724 -3.729 676 HB3 LEU 92 1HB LEU 92 -10.644 4.934 -5.357 677 HG LEU 92 HG LEU 92 -10.200 7.101 -4.489 678 HD11 LEU 92 1HD1 LEU 92 -12.235 6.966 -5.792 679 HD12 LEU 92 2HD1 LEU 92 -12.403 8.167 -4.508 680 HD13 LEU 92 3HD1 LEU 92 -13.162 6.583 -4.340 681 HD21 LEU 92 3HD2 LEU 92 -10.921 7.940 -2.409 682 HD22 LEU 92 1HD2 LEU 92 -10.263 6.339 -2.080 683 HD23 LEU 92 2HD2 LEU 92 -12.008 6.576 -2.148 684 H ASN 93 H ASN 93 -13.314 2.632 -5.561 685 HA ASN 93 HA ASN 93 -11.789 0.292 -4.705 686 HB2 ASN 93 2HB ASN 93 -13.596 -0.875 -6.201 687 HB3 ASN 93 1HB ASN 93 -14.023 -0.289 -4.598 688 HD21 ASN 93 1HD2 ASN 93 -14.382 0.167 -8.011 689 HD22 ASN 93 2HD2 ASN 93 -15.664 1.322 -7.932 690 H LEU 94 H LEU 94 -10.041 -0.128 -5.790 691 HA LEU 94 HA LEU 94 -9.881 0.360 -8.674 692 HB2 LEU 94 2HB LEU 94 -8.079 1.063 -6.945 693 HB3 LEU 94 1HB LEU 94 -7.665 -0.639 -6.891 694 HG LEU 94 HG LEU 94 -7.729 0.666 -9.559 695 HD11 LEU 94 1HD1 LEU 94 -6.564 2.333 -8.257 696 HD12 LEU 94 2HD1 LEU 94 -5.403 1.440 -9.240 697 HD13 LEU 94 3HD1 LEU 94 -5.550 1.092 -7.516 698 HD21 LEU 94 3HD2 LEU 94 -5.803 -0.846 -9.885 699 HD22 LEU 94 1HD2 LEU 94 -7.264 -1.697 -9.390 700 HD23 LEU 94 2HD2 LEU 94 -5.983 -1.393 -8.217 701 H GLU 95 H GLU 95 -11.393 -1.366 -9.081 702 HA GLU 95 HA GLU 95 -10.787 -4.051 -8.258 703 HB2 GLU 95 2HB GLU 95 -12.835 -3.156 -10.275 704 HB3 GLU 95 1HB GLU 95 -12.801 -4.672 -9.387 705 HG2 GLU 95 2HG GLU 95 -13.246 -3.541 -7.326 706 HG3 GLU 95 1HG GLU 95 -13.115 -1.968 -8.110 707 H ASP 96 H ASP 96 -11.571 -5.521 -10.415 708 HA ASP 96 HA ASP 96 -9.271 -6.251 -11.665 709 HB2 ASP 96 2HB ASP 96 -10.936 -7.034 -13.554 710 HB3 ASP 96 1HB ASP 96 -10.951 -7.785 -11.961 711 H GLU 97 H GLU 97 -11.725 -4.091 -13.076 712 HA GLU 97 HA GLU 97 -10.631 -3.579 -15.523 713 HB2 GLU 97 2HB GLU 97 -11.864 -1.495 -13.714 714 HB3 GLU 97 1HB GLU 97 -11.731 -1.401 -15.463 715 HG2 GLU 97 2HG GLU 97 -13.332 -3.447 -13.945 716 HG3 GLU 97 1HG GLU 97 -13.983 -2.008 -14.730 717 H ASP 98 H ASP 98 -9.278 -2.816 -12.502 718 HA ASP 98 HA ASP 98 -7.183 -1.216 -13.800 719 HB2 ASP 98 2HB ASP 98 -8.328 -0.834 -11.019 720 HB3 ASP 98 1HB ASP 98 -6.950 0.047 -11.682 721 H ILE 99 H ILE 99 -7.950 -3.968 -11.968 722 HA ILE 99 HA ILE 99 -5.317 -4.214 -10.744 723 HB ILE 99 HB ILE 99 -7.777 -5.957 -10.600 724 HG12 ILE 99 2HG1 ILE 99 -7.776 -3.802 -9.361 725 HG13 ILE 99 1HG1 ILE 99 -7.918 -5.214 -8.323 726 HG21 ILE 99 1HG2 ILE 99 -6.555 -7.237 -8.858 727 HG22 ILE 99 2HG2 ILE 99 -5.080 -6.388 -9.319 728 HG23 ILE 99 3HG2 ILE 99 -5.888 -7.442 -10.479 729 HD11 ILE 99 3HD1 ILE 99 -6.441 -3.619 -7.316 730 HD12 ILE 99 1HD1 ILE 99 -5.456 -3.544 -8.778 731 HD13 ILE 99 2HD1 ILE 99 -5.505 -5.026 -7.821 732 H GLU 100 H GLU 100 -7.281 -5.841 -13.206 733 HA GLU 100 HA GLU 100 -5.664 -7.996 -13.798 734 HB2 GLU 100 2HB GLU 100 -7.246 -6.322 -15.758 735 HB3 GLU 100 1HB GLU 100 -6.665 -7.957 -16.043 736 HG2 GLU 100 2HG GLU 100 -8.080 -8.796 -14.259 737 HG3 GLU 100 1HG GLU 100 -8.634 -7.159 -13.910 738 H SER 101 H SER 101 -5.242 -4.638 -14.627 739 HA SER 101 HA SER 101 -2.632 -5.302 -15.804 740 HB2 SER 101 2HB SER 101 -4.560 -3.202 -16.831 741 HB3 SER 101 1HB SER 101 -2.925 -3.469 -17.435 742 HG SER 101 HG SER 101 -5.148 -5.216 -17.588 743 H ILE 102 H ILE 102 -3.231 -4.591 -13.121 744 HA ILE 102 HA ILE 102 -2.847 -1.853 -12.591 745 HB ILE 102 HB ILE 102 -3.744 -3.404 -10.921 746 HG12 ILE 102 2HG1 ILE 102 -2.227 -2.651 -8.993 747 HG13 ILE 102 1HG1 ILE 102 -1.241 -1.874 -10.224 748 HG21 ILE 102 1HG2 ILE 102 -2.409 -5.361 -11.354 749 HG22 ILE 102 2HG2 ILE 102 -2.176 -4.873 -9.676 750 HG23 ILE 102 3HG2 ILE 102 -0.937 -4.513 -10.879 751 HD11 ILE 102 3HD1 ILE 102 -2.633 -0.192 -9.426 752 HD12 ILE 102 1HD1 ILE 102 -4.045 -1.246 -9.406 753 HD13 ILE 102 2HD1 ILE 102 -3.379 -0.694 -10.941 754 H ASP 103 H ASP 103 -1.059 -0.679 -12.091 755 HA ASP 103 HA ASP 103 1.568 -1.955 -12.250 756 HB2 ASP 103 2HB ASP 103 0.838 0.548 -13.788 757 HB3 ASP 103 1HB ASP 103 2.426 -0.209 -13.724 758 H ALA 104 H ALA 104 3.187 -0.857 -11.055 759 HA ALA 104 HA ALA 104 2.446 0.320 -8.700 760 HB1 ALA 104 1HB ALA 104 5.000 0.818 -10.212 761 HB2 ALA 104 2HB ALA 104 4.684 -0.505 -9.086 762 HB3 ALA 104 3HB ALA 104 4.735 1.158 -8.501 763 H THR 105 H THR 105 3.031 1.862 -11.792 764 HA THR 105 HA THR 105 2.921 4.546 -10.971 765 HB THR 105 HB THR 105 2.062 3.334 -13.606 766 HG1 THR 105 1HG THR 105 4.479 4.717 -13.142 767 HG21 THR 105 3HG2 THR 105 1.104 5.509 -13.416 768 HG22 THR 105 1HG2 THR 105 2.512 5.636 -14.471 769 HG23 THR 105 2HG2 THR 105 2.613 6.180 -12.794 770 H LYS 106 H LYS 106 0.398 2.356 -12.163 771 HA LYS 106 HA LYS 106 -1.739 4.152 -12.059 772 HB2 LYS 106 2HB LYS 106 -1.775 1.148 -11.698 773 HB3 LYS 106 1HB LYS 106 -3.179 2.151 -12.046 774 HG2 LYS 106 2HG LYS 106 -2.266 2.763 -14.189 775 HG3 LYS 106 1HG LYS 106 -0.776 1.886 -13.839 776 HD2 LYS 106 2HD LYS 106 -2.095 0.481 -15.241 777 HD3 LYS 106 1HD LYS 106 -2.180 -0.192 -13.613 778 HE2 LYS 106 2HE LYS 106 -4.348 0.878 -13.277 779 HE3 LYS 106 1HE LYS 106 -4.260 1.578 -14.892 780 HZ1 LYS 106 3HZ LYS 106 -4.260 -0.653 -15.819 781 HZ2 LYS 106 1HZ LYS 106 -5.633 -0.407 -14.861 782 HZ3 LYS 106 2HZ LYS 106 -4.341 -1.324 -14.269 783 H LEU 107 H LEU 107 -1.001 1.555 -9.695 784 HA LEU 107 HA LEU 107 -2.852 2.191 -7.774 785 HB2 LEU 107 2HB LEU 107 -0.687 0.485 -7.919 786 HB3 LEU 107 1HB LEU 107 -0.231 1.565 -6.619 787 HG LEU 107 HG LEU 107 -2.482 -0.403 -6.734 788 HD11 LEU 107 1HD1 LEU 107 -1.626 -0.812 -4.393 789 HD12 LEU 107 2HD1 LEU 107 -0.295 0.278 -4.786 790 HD13 LEU 107 3HD1 LEU 107 -0.518 -1.212 -5.702 791 HD21 LEU 107 3HD2 LEU 107 -2.387 2.009 -4.923 792 HD22 LEU 107 1HD2 LEU 107 -3.452 0.621 -4.706 793 HD23 LEU 107 2HD2 LEU 107 -3.619 1.643 -6.132 794 H SER 108 H SER 108 0.504 3.396 -7.890 795 HA SER 108 HA SER 108 0.304 5.185 -5.753 796 HB2 SER 108 2HB SER 108 2.051 5.391 -8.217 797 HB3 SER 108 1HB SER 108 2.300 6.265 -6.703 798 HG SER 108 HG SER 108 2.511 4.191 -5.684 799 H ARG 109 H ARG 109 -0.631 5.500 -9.106 800 HA ARG 109 HA ARG 109 -0.967 8.314 -9.113 801 HB2 ARG 109 2HB ARG 109 -0.713 6.888 -11.157 802 HB3 ARG 109 1HB ARG 109 -2.324 6.259 -10.867 803 HG2 ARG 109 2HG ARG 109 -1.879 9.200 -11.164 804 HG3 ARG 109 1HG ARG 109 -1.998 8.157 -12.581 805 HD2 ARG 109 2HD ARG 109 -4.166 7.294 -11.532 806 HD3 ARG 109 1HD ARG 109 -4.063 8.700 -10.466 807 HE ARG 109 HE ARG 109 -3.803 9.738 -12.973 808 HH11 ARG 109 1HH1 ARG 109 -6.170 7.727 -11.394 809 HH12 ARG 109 2HH1 ARG 109 -7.485 8.289 -12.369 810 HH21 ARG 109 1HH2 ARG 109 -5.529 10.481 -14.264 811 HH22 ARG 109 2HH2 ARG 109 -7.121 9.853 -14.001 812 H PHE 110 H PHE 110 -3.441 5.762 -9.270 813 HA PHE 110 HA PHE 110 -5.684 7.204 -8.763 814 HB2 PHE 110 2HB PHE 110 -4.905 4.420 -7.946 815 HB3 PHE 110 1HB PHE 110 -6.465 5.085 -7.464 816 HD1 PHE 110 1HD PHE 110 -8.158 5.625 -9.134 817 HD2 PHE 110 2HD PHE 110 -4.457 3.833 -10.229 818 HE1 PHE 110 1HE PHE 110 -9.100 5.027 -11.326 819 HE2 PHE 110 2HE PHE 110 -5.392 3.231 -12.424 820 HZ PHE 110 HZ PHE 110 -7.716 3.830 -12.975 821 H ILE 111 H ILE 111 -3.412 5.946 -6.348 822 HA ILE 111 HA ILE 111 -4.775 6.900 -4.078 823 HB ILE 111 HB ILE 111 -1.818 6.438 -4.510 824 HG12 ILE 111 2HG1 ILE 111 -3.844 4.772 -3.010 825 HG13 ILE 111 1HG1 ILE 111 -3.383 4.477 -4.679 826 HG21 ILE 111 1HG2 ILE 111 -3.318 6.934 -1.943 827 HG22 ILE 111 2HG2 ILE 111 -2.145 8.019 -2.694 828 HG23 ILE 111 3HG2 ILE 111 -1.627 6.453 -2.066 829 HD11 ILE 111 3HD1 ILE 111 -1.060 4.134 -3.948 830 HD12 ILE 111 1HD1 ILE 111 -2.186 2.989 -3.222 831 HD13 ILE 111 2HD1 ILE 111 -1.582 4.350 -2.278 832 H GLU 112 H GLU 112 -2.018 8.287 -5.854 833 HA GLU 112 HA GLU 112 -1.830 10.705 -4.521 834 HB2 GLU 112 2HB GLU 112 -0.247 9.797 -6.258 835 HB3 GLU 112 1HB GLU 112 -1.396 10.324 -7.485 836 HG2 GLU 112 2HG GLU 112 0.330 11.966 -7.280 837 HG3 GLU 112 1HG GLU 112 -1.171 12.633 -6.638 838 H ILE 113 H ILE 113 -4.258 9.556 -6.605 839 HA ILE 113 HA ILE 113 -5.241 12.172 -7.351 840 HB ILE 113 HB ILE 113 -5.703 9.412 -8.205 841 HG12 ILE 113 2HG1 ILE 113 -5.986 10.491 -10.377 842 HG13 ILE 113 1HG1 ILE 113 -6.058 12.070 -9.602 843 HG21 ILE 113 1HG2 ILE 113 -8.036 11.308 -8.130 844 HG22 ILE 113 2HG2 ILE 113 -7.909 9.736 -7.337 845 HG23 ILE 113 3HG2 ILE 113 -7.961 9.835 -9.097 846 HD11 ILE 113 3HD1 ILE 113 -3.882 11.609 -10.635 847 HD12 ILE 113 1HD1 ILE 113 -3.675 10.232 -9.554 848 HD13 ILE 113 2HD1 ILE 113 -3.759 11.866 -8.896 849 H ASN 114 H ASN 114 -6.133 9.549 -5.136 850 HA ASN 114 HA ASN 114 -8.169 11.366 -4.014 851 HB2 ASN 114 2HB ASN 114 -8.324 8.369 -4.321 852 HB3 ASN 114 1HB ASN 114 -9.437 9.312 -3.332 853 HD21 ASN 114 1HD2 ASN 114 -9.531 11.577 -5.072 854 HD22 ASN 114 2HD2 ASN 114 -10.441 11.113 -6.464 855 H SER 115 H SER 115 -5.351 10.991 -3.217 856 HA SER 115 HA SER 115 -5.458 9.589 -0.695 857 HB2 SER 115 2HB SER 115 -3.135 10.350 -0.422 858 HB3 SER 115 1HB SER 115 -3.379 9.638 -2.017 859 HG SER 115 HG SER 115 -2.350 11.943 -1.558 860 H LEU 116 H LEU 116 -7.445 11.413 -0.694 861 HA LEU 116 HA LEU 116 -6.522 13.772 0.746 862 HB2 LEU 116 2HB LEU 116 -9.313 13.025 -0.109 863 HB3 LEU 116 1HB LEU 116 -8.787 14.583 0.501 864 HG LEU 116 HG LEU 116 -7.953 13.332 -2.117 865 HD11 LEU 116 1HD1 LEU 116 -9.726 15.699 -1.527 866 HD12 LEU 116 2HD1 LEU 116 -10.259 14.125 -2.114 867 HD13 LEU 116 3HD1 LEU 116 -9.236 15.144 -3.127 868 HD21 LEU 116 3HD2 LEU 116 -6.145 14.658 -1.186 869 HD22 LEU 116 1HD2 LEU 116 -7.246 16.008 -0.912 870 HD23 LEU 116 2HD2 LEU 116 -6.872 15.496 -2.557 Start of MODEL 38 1 H GLU 1 H GLU 1 19.847 -17.024 -11.126 2 HA GLU 1 HA GLU 1 20.937 -19.603 -11.569 3 HB2 GLU 1 2HB GLU 1 22.941 -17.630 -10.451 4 HB3 GLU 1 1HB GLU 1 23.157 -19.374 -10.517 5 HG2 GLU 1 2HG GLU 1 23.112 -19.315 -12.940 6 HG3 GLU 1 1HG GLU 1 22.822 -17.576 -12.907 7 H VAL 2 H VAL 2 20.852 -16.922 -9.250 8 HA VAL 2 HA VAL 2 20.556 -18.681 -6.990 9 HB VAL 2 HB VAL 2 20.252 -16.622 -5.679 10 HG11 VAL 2 1HG1 VAL 2 22.503 -17.427 -6.126 11 HG12 VAL 2 2HG1 VAL 2 22.474 -15.665 -6.083 12 HG13 VAL 2 3HG1 VAL 2 22.550 -16.507 -7.631 13 HG21 VAL 2 3HG2 VAL 2 20.472 -14.432 -6.787 14 HG22 VAL 2 1HG2 VAL 2 19.016 -15.292 -7.288 15 HG23 VAL 2 2HG2 VAL 2 20.418 -15.237 -8.355 16 H GLU 3 H GLU 3 18.719 -18.471 -5.478 17 HA GLU 3 HA GLU 3 16.174 -17.894 -6.837 18 HB2 GLU 3 2HB GLU 3 16.759 -20.316 -5.125 19 HB3 GLU 3 1HB GLU 3 15.191 -19.899 -5.799 20 HG2 GLU 3 2HG GLU 3 16.049 -20.183 -8.046 21 HG3 GLU 3 1HG GLU 3 17.659 -20.519 -7.408 22 H LYS 4 H LYS 4 15.324 -16.240 -5.763 23 HA LYS 4 HA LYS 4 14.613 -14.883 -4.084 24 HB2 LYS 4 2HB LYS 4 14.459 -17.571 -2.729 25 HB3 LYS 4 1HB LYS 4 13.945 -16.093 -1.930 26 HG2 LYS 4 2HG LYS 4 11.995 -17.050 -2.816 27 HG3 LYS 4 1HG LYS 4 12.401 -15.719 -3.901 28 HD2 LYS 4 2HD LYS 4 11.774 -17.599 -5.240 29 HD3 LYS 4 1HD LYS 4 13.518 -17.385 -5.395 30 HE2 LYS 4 2HE LYS 4 12.934 -19.742 -5.131 31 HE3 LYS 4 1HE LYS 4 13.894 -19.164 -3.771 32 HZ1 LYS 4 3HZ LYS 4 12.049 -20.528 -3.028 33 HZ2 LYS 4 1HZ LYS 4 10.942 -19.499 -3.789 34 HZ3 LYS 4 2HZ LYS 4 11.857 -18.938 -2.482 35 H SER 5 H SER 5 16.936 -14.136 -4.254 36 HA SER 5 HA SER 5 18.301 -14.520 -1.670 37 HB2 SER 5 2HB SER 5 19.595 -15.411 -3.573 38 HB3 SER 5 1HB SER 5 19.543 -13.826 -4.345 39 HG SER 5 HG SER 5 21.337 -14.684 -2.664 40 H SER 6 H SER 6 16.236 -12.653 -1.989 41 HA SER 6 HA SER 6 15.711 -10.471 -1.626 42 HB2 SER 6 2HB SER 6 17.189 -10.764 0.312 43 HB3 SER 6 1HB SER 6 18.584 -10.338 -0.680 44 HG SER 6 HG SER 6 16.362 -8.640 -0.197 45 H ASP 7 H ASP 7 15.828 -10.643 -4.141 46 HA ASP 7 HA ASP 7 17.910 -8.986 -5.308 47 HB2 ASP 7 2HB ASP 7 15.510 -10.293 -6.609 48 HB3 ASP 7 1HB ASP 7 16.850 -9.523 -7.452 49 H GLY 8 H GLY 8 14.708 -8.664 -4.114 50 HA2 GLY 8 2HA GLY 8 14.693 -5.862 -5.010 51 HA3 GLY 8 1HA GLY 8 13.272 -6.858 -5.284 52 HA PRO 9 HA PRO 9 13.282 -4.556 -1.055 53 HB2 PRO 9 2HB PRO 9 10.689 -3.669 -2.226 54 HB3 PRO 9 1HB PRO 9 11.854 -2.762 -1.255 55 HG2 PRO 9 2HG PRO 9 11.668 -2.357 -3.880 56 HG3 PRO 9 1HG PRO 9 13.246 -2.354 -3.068 57 HD2 PRO 9 2HD PRO 9 11.990 -4.462 -4.770 58 HD3 PRO 9 1HD PRO 9 13.690 -3.970 -4.654 59 H GLY 10 H GLY 10 12.681 -5.941 0.481 60 HA2 GLY 10 2HA GLY 10 10.016 -7.136 0.365 61 HA3 GLY 10 1HA GLY 10 11.380 -8.240 0.436 62 H ALA 11 H ALA 11 11.432 -5.159 2.068 63 HA ALA 11 HA ALA 11 10.591 -6.248 4.610 64 HB1 ALA 11 1HB ALA 11 12.705 -5.842 5.759 65 HB2 ALA 11 2HB ALA 11 13.461 -5.400 4.228 66 HB3 ALA 11 3HB ALA 11 12.899 -7.052 4.491 67 H ALA 12 H ALA 12 11.667 -3.690 2.576 68 HA ALA 12 HA ALA 12 11.620 -1.534 4.375 69 HB1 ALA 12 1HB ALA 12 12.662 -1.209 2.282 70 HB2 ALA 12 2HB ALA 12 11.234 -0.174 2.272 71 HB3 ALA 12 3HB ALA 12 11.220 -1.709 1.402 72 H GLN 13 H GLN 13 9.798 -1.906 5.691 73 HA GLN 13 HA GLN 13 7.637 -1.841 6.372 74 HB2 GLN 13 2HB GLN 13 6.451 0.209 5.822 75 HB3 GLN 13 1HB GLN 13 8.137 0.524 6.191 76 HG2 GLN 13 2HG GLN 13 8.606 0.710 3.783 77 HG3 GLN 13 1HG GLN 13 6.895 0.445 3.447 78 HE21 GLN 13 1HE2 GLN 13 8.674 2.743 2.906 79 HE22 GLN 13 2HE2 GLN 13 7.890 4.106 3.624 80 H GLU 14 H GLU 14 6.158 -3.265 5.977 81 HA GLU 14 HA GLU 14 5.139 -3.562 3.230 82 HB2 GLU 14 2HB GLU 14 4.646 -5.855 3.740 83 HB3 GLU 14 1HB GLU 14 6.305 -5.537 4.228 84 HG2 GLU 14 2HG GLU 14 5.503 -5.240 6.557 85 HG3 GLU 14 1HG GLU 14 3.896 -5.725 6.015 86 HA PRO 15 HA PRO 15 1.095 -2.349 4.471 87 HB2 PRO 15 2HB PRO 15 -0.497 -4.061 3.065 88 HB3 PRO 15 1HB PRO 15 0.358 -2.696 2.340 89 HG2 PRO 15 2HG PRO 15 1.076 -5.593 2.357 90 HG3 PRO 15 1HG PRO 15 1.220 -4.406 1.051 91 HD2 PRO 15 2HD PRO 15 3.327 -5.200 2.574 92 HD3 PRO 15 1HD PRO 15 3.210 -3.585 1.845 93 H THR 16 H THR 16 -0.341 -2.713 6.057 94 HA THR 16 HA THR 16 0.044 -4.698 7.956 95 HB THR 16 HB THR 16 -2.553 -3.228 7.487 96 HG1 THR 16 1HG THR 16 -0.094 -2.413 8.626 97 HG21 THR 16 3HG2 THR 16 -1.295 -4.388 9.976 98 HG22 THR 16 1HG2 THR 16 -2.714 -5.011 9.135 99 HG23 THR 16 2HG2 THR 16 -2.780 -3.439 9.931 100 H TRP 17 H TRP 17 -1.277 -6.455 8.633 101 HA TRP 17 HA TRP 17 -2.488 -7.898 6.386 102 HB2 TRP 17 2HB TRP 17 -1.486 -8.855 9.073 103 HB3 TRP 17 1HB TRP 17 -2.261 -9.893 7.881 104 HD1 TRP 17 HD TRP 17 1.006 -8.043 8.573 105 HE1 TRP 17 1HE TRP 17 2.810 -8.917 6.959 106 HE3 TRP 17 3HE TRP 17 -1.935 -10.946 5.559 107 HZ2 TRP 17 2HZ TRP 17 2.969 -10.610 4.708 108 HZ3 TRP 17 3HZ TRP 17 -0.876 -12.160 3.698 109 HH2 TRP 17 HH TRP 17 1.525 -11.995 3.283 110 H LEU 18 H LEU 18 -4.538 -7.012 6.338 111 HA LEU 18 HA LEU 18 -6.166 -7.014 8.756 112 HB2 LEU 18 2HB LEU 18 -6.906 -6.205 5.944 113 HB3 LEU 18 1HB LEU 18 -7.823 -5.870 7.402 114 HG LEU 18 HG LEU 18 -5.076 -4.773 6.808 115 HD11 LEU 18 1HD1 LEU 18 -6.263 -2.625 6.523 116 HD12 LEU 18 2HD1 LEU 18 -7.792 -3.499 6.593 117 HD13 LEU 18 3HD1 LEU 18 -6.657 -3.815 5.282 118 HD21 LEU 18 3HD2 LEU 18 -7.025 -4.225 9.038 119 HD22 LEU 18 1HD2 LEU 18 -5.577 -3.271 8.712 120 HD23 LEU 18 2HD2 LEU 18 -5.431 -4.967 9.175 121 H THR 19 H THR 19 -5.983 -9.401 8.876 122 HA THR 19 HA THR 19 -7.242 -11.035 6.901 123 HB THR 19 HB THR 19 -6.944 -12.870 8.470 124 HG1 THR 19 1HG THR 19 -6.872 -10.807 10.282 125 HG21 THR 19 3HG2 THR 19 -4.511 -12.725 8.778 126 HG22 THR 19 1HG2 THR 19 -4.577 -10.995 8.445 127 HG23 THR 19 2HG2 THR 19 -4.998 -12.154 7.183 128 H ASP 20 H ASP 20 -8.629 -8.904 8.972 129 HA ASP 20 HA ASP 20 -11.141 -10.392 8.917 130 HB2 ASP 20 2HB ASP 20 -9.929 -9.215 11.420 131 HB3 ASP 20 1HB ASP 20 -11.617 -9.696 11.288 132 H VAL 21 H VAL 21 -12.998 -9.146 8.903 133 HA VAL 21 HA VAL 21 -12.874 -6.685 7.623 134 HB VAL 21 HB VAL 21 -15.187 -7.601 9.335 135 HG11 VAL 21 1HG1 VAL 21 -15.344 -5.305 8.523 136 HG12 VAL 21 2HG1 VAL 21 -16.536 -6.342 7.738 137 HG13 VAL 21 3HG1 VAL 21 -15.077 -5.866 6.872 138 HG21 VAL 21 3HG2 VAL 21 -16.037 -8.719 7.317 139 HG22 VAL 21 1HG2 VAL 21 -14.524 -9.428 7.883 140 HG23 VAL 21 2HG2 VAL 21 -14.524 -8.348 6.488 141 HA PRO 22 HA PRO 22 -13.838 -4.601 11.963 142 HB2 PRO 22 2HB PRO 22 -12.660 -5.976 14.053 143 HB3 PRO 22 1HB PRO 22 -14.379 -6.030 13.655 144 HG2 PRO 22 2HG PRO 22 -12.206 -7.958 12.946 145 HG3 PRO 22 1HG PRO 22 -13.873 -8.284 13.467 146 HD2 PRO 22 2HD PRO 22 -13.168 -8.475 10.896 147 HD3 PRO 22 1HD PRO 22 -14.750 -7.818 11.365 148 H ALA 23 H ALA 23 -10.905 -6.617 11.752 149 HA ALA 23 HA ALA 23 -9.155 -4.695 12.841 150 HB1 ALA 23 1HB ALA 23 -7.360 -6.079 12.009 151 HB2 ALA 23 2HB ALA 23 -8.466 -6.914 10.919 152 HB3 ALA 23 3HB ALA 23 -8.631 -7.112 12.665 153 H ALA 24 H ALA 24 -10.304 -5.344 9.629 154 HA ALA 24 HA ALA 24 -8.505 -3.697 8.200 155 HB1 ALA 24 1HB ALA 24 -11.289 -4.671 7.570 156 HB2 ALA 24 2HB ALA 24 -9.755 -5.302 6.968 157 HB3 ALA 24 3HB ALA 24 -10.325 -3.715 6.443 158 H MET 25 H MET 25 -11.889 -3.134 9.140 159 HA MET 25 HA MET 25 -11.977 -0.423 8.449 160 HB2 MET 25 2HB MET 25 -13.606 -1.804 10.587 161 HB3 MET 25 1HB MET 25 -14.029 -0.328 9.729 162 HG2 MET 25 2HG MET 25 -14.056 -1.667 7.617 163 HG3 MET 25 1HG MET 25 -13.857 -3.111 8.607 164 HE1 MET 25 3HE MET 25 -17.143 -3.056 10.756 165 HE2 MET 25 1HE MET 25 -15.566 -2.380 11.172 166 HE3 MET 25 2HE MET 25 -15.671 -3.955 10.381 167 H GLU 26 H GLU 26 -10.695 -2.047 11.235 168 HA GLU 26 HA GLU 26 -10.727 0.208 12.980 169 HB2 GLU 26 2HB GLU 26 -9.425 -2.473 13.004 170 HB3 GLU 26 1HB GLU 26 -8.786 -1.230 14.072 171 HG2 GLU 26 2HG GLU 26 -11.173 -0.922 14.883 172 HG3 GLU 26 1HG GLU 26 -11.528 -2.433 14.045 173 H PHE 27 H PHE 27 -8.161 -1.329 11.044 174 HA PHE 27 HA PHE 27 -6.179 0.554 11.630 175 HB2 PHE 27 2HB PHE 27 -6.468 -1.683 9.852 176 HB3 PHE 27 1HB PHE 27 -5.725 -0.340 8.988 177 HD1 PHE 27 1HD PHE 27 -5.404 -2.553 11.921 178 HD2 PHE 27 2HD PHE 27 -3.503 0.328 9.432 179 HE1 PHE 27 1HE PHE 27 -3.244 -3.065 12.986 180 HE2 PHE 27 2HE PHE 27 -1.340 -0.180 10.488 181 HZ PHE 27 HZ PHE 27 -1.210 -1.878 12.268 182 H ILE 28 H ILE 28 -8.767 0.534 9.273 183 HA ILE 28 HA ILE 28 -7.871 2.856 7.859 184 HB ILE 28 HB ILE 28 -10.509 1.409 7.976 185 HG12 ILE 28 2HG1 ILE 28 -8.705 1.907 5.607 186 HG13 ILE 28 1HG1 ILE 28 -8.488 0.526 6.683 187 HG21 ILE 28 1HG2 ILE 28 -11.317 2.910 6.199 188 HG22 ILE 28 2HG2 ILE 28 -9.884 3.912 6.419 189 HG23 ILE 28 3HG2 ILE 28 -11.056 3.752 7.725 190 HD11 ILE 28 3HD1 ILE 28 -10.594 -0.379 6.080 191 HD12 ILE 28 1HD1 ILE 28 -9.776 0.077 4.586 192 HD13 ILE 28 2HD1 ILE 28 -11.058 1.099 5.234 193 H ALA 29 H ALA 29 -10.033 2.228 10.560 194 HA ALA 29 HA ALA 29 -10.994 4.910 10.768 195 HB1 ALA 29 1HB ALA 29 -11.077 2.639 12.759 196 HB2 ALA 29 2HB ALA 29 -12.334 3.065 11.594 197 HB3 ALA 29 3HB ALA 29 -11.946 4.167 12.915 198 H ALA 30 H ALA 30 -8.147 3.298 11.729 199 HA ALA 30 HA ALA 30 -7.528 5.245 13.822 200 HB1 ALA 30 1HB ALA 30 -5.632 3.844 14.343 201 HB2 ALA 30 2HB ALA 30 -5.922 2.865 12.906 202 HB3 ALA 30 3HB ALA 30 -7.086 2.850 14.230 203 H THR 31 H THR 31 -7.651 5.884 10.895 204 HA THR 31 HA THR 31 -5.344 7.546 10.793 205 HB THR 31 HB THR 31 -4.254 5.444 10.163 206 HG1 THR 31 1HG THR 31 -3.941 6.383 7.752 207 HG21 THR 31 3HG2 THR 31 -5.807 5.361 7.618 208 HG22 THR 31 1HG2 THR 31 -6.494 4.629 9.068 209 HG23 THR 31 2HG2 THR 31 -4.940 4.073 8.453 210 H GLU 32 H GLU 32 -5.360 9.006 9.027 211 HA GLU 32 HA GLU 32 -7.930 9.744 8.111 212 HB2 GLU 32 2HB GLU 32 -5.731 11.136 8.407 213 HB3 GLU 32 1HB GLU 32 -5.414 10.648 6.748 214 HG2 GLU 32 2HG GLU 32 -7.457 11.684 6.006 215 HG3 GLU 32 1HG GLU 32 -7.891 12.081 7.669 216 H VAL 33 H VAL 33 -5.194 9.118 5.927 217 HA VAL 33 HA VAL 33 -7.060 7.932 4.012 218 HB VAL 33 HB VAL 33 -4.157 8.627 3.574 219 HG11 VAL 33 1HG1 VAL 33 -5.079 7.041 1.966 220 HG12 VAL 33 2HG1 VAL 33 -4.759 8.603 1.207 221 HG13 VAL 33 3HG1 VAL 33 -6.413 8.148 1.630 222 HG21 VAL 33 3HG2 VAL 33 -5.323 10.636 4.213 223 HG22 VAL 33 1HG2 VAL 33 -6.625 10.279 3.078 224 HG23 VAL 33 2HG2 VAL 33 -5.014 10.673 2.477 225 H ALA 34 H ALA 34 -7.029 5.821 3.449 226 HA ALA 34 HA ALA 34 -4.804 4.155 4.374 227 HB1 ALA 34 1HB ALA 34 -7.719 3.654 4.933 228 HB2 ALA 34 2HB ALA 34 -6.420 3.890 6.103 229 HB3 ALA 34 3HB ALA 34 -6.462 2.430 5.114 230 H VAL 35 H VAL 35 -4.063 2.896 2.822 231 HA VAL 35 HA VAL 35 -5.885 2.180 0.624 232 HB VAL 35 HB VAL 35 -2.910 2.664 0.573 233 HG11 VAL 35 1HG1 VAL 35 -3.354 0.656 -0.735 234 HG12 VAL 35 2HG1 VAL 35 -2.995 2.010 -1.805 235 HG13 VAL 35 3HG1 VAL 35 -4.662 1.478 -1.586 236 HG21 VAL 35 3HG2 VAL 35 -3.602 4.277 -1.195 237 HG22 VAL 35 1HG2 VAL 35 -4.256 4.642 0.405 238 HG23 VAL 35 2HG2 VAL 35 -5.284 3.887 -0.814 239 H ILE 36 H ILE 36 -6.270 0.120 0.276 240 HA ILE 36 HA ILE 36 -4.522 -1.868 1.541 241 HB ILE 36 HB ILE 36 -7.526 -1.794 1.779 242 HG12 ILE 36 2HG1 ILE 36 -5.594 -1.775 4.066 243 HG13 ILE 36 1HG1 ILE 36 -5.924 -0.277 3.209 244 HG21 ILE 36 1HG2 ILE 36 -7.182 -3.767 3.273 245 HG22 ILE 36 2HG2 ILE 36 -5.509 -3.835 2.711 246 HG23 ILE 36 3HG2 ILE 36 -6.835 -4.076 1.572 247 HD11 ILE 36 3HD1 ILE 36 -7.903 -2.012 4.650 248 HD12 ILE 36 1HD1 ILE 36 -8.321 -0.590 3.692 249 HD13 ILE 36 2HD1 ILE 36 -7.320 -0.419 5.135 250 H GLY 37 H GLY 37 -4.219 -3.718 0.460 251 HA2 GLY 37 2HA GLY 37 -5.471 -3.915 -2.182 252 HA3 GLY 37 1HA GLY 37 -3.973 -4.689 -1.704 253 H PHE 38 H PHE 38 -7.400 -4.966 -1.882 254 HA PHE 38 HA PHE 38 -7.530 -7.372 -0.264 255 HB2 PHE 38 2HB PHE 38 -9.618 -6.034 -2.006 256 HB3 PHE 38 1HB PHE 38 -9.912 -7.407 -0.946 257 HD1 PHE 38 1HD PHE 38 -8.736 -6.861 1.527 258 HD2 PHE 38 2HD PHE 38 -10.515 -4.093 -1.167 259 HE1 PHE 38 1HE PHE 38 -9.192 -5.335 3.401 260 HE2 PHE 38 2HE PHE 38 -10.975 -2.566 0.704 261 HZ PHE 38 HZ PHE 38 -10.311 -3.183 2.990 262 H PHE 39 H PHE 39 -6.189 -8.827 -1.273 263 HA PHE 39 HA PHE 39 -6.867 -9.568 -4.039 264 HB2 PHE 39 2HB PHE 39 -4.326 -10.233 -2.563 265 HB3 PHE 39 1HB PHE 39 -4.635 -10.375 -4.292 266 HD1 PHE 39 2HD PHE 39 -5.796 -7.853 -5.025 267 HD2 PHE 39 1HD PHE 39 -2.675 -8.663 -2.251 268 HE1 PHE 39 2HE PHE 39 -4.902 -5.593 -5.379 269 HE2 PHE 39 1HE PHE 39 -1.776 -6.399 -2.598 270 HZ PHE 39 HZ PHE 39 -2.888 -4.862 -4.165 271 H GLN 40 H GLN 40 -7.308 -11.643 -4.593 272 HA GLN 40 HA GLN 40 -7.970 -13.477 -2.442 273 HB2 GLN 40 2HB GLN 40 -8.284 -13.764 -5.441 274 HB3 GLN 40 1HB GLN 40 -8.926 -14.874 -4.238 275 HG2 GLN 40 2HG GLN 40 -10.355 -13.097 -3.363 276 HG3 GLN 40 1HG GLN 40 -9.711 -11.988 -4.574 277 HE21 GLN 40 1HE2 GLN 40 -10.274 -12.273 -6.742 278 HE22 GLN 40 2HE2 GLN 40 -11.636 -13.225 -7.213 279 H ASP 41 H ASP 41 -5.344 -12.700 -4.279 280 HA ASP 41 HA ASP 41 -3.902 -15.098 -3.515 281 HB2 ASP 41 2HB ASP 41 -4.877 -15.473 -5.850 282 HB3 ASP 41 1HB ASP 41 -3.811 -14.176 -6.396 283 H LEU 42 H LEU 42 -1.867 -14.544 -2.872 284 HA LEU 42 HA LEU 42 -1.063 -11.776 -3.361 285 HB2 LEU 42 2HB LEU 42 -0.036 -13.781 -1.359 286 HB3 LEU 42 1HB LEU 42 0.564 -12.141 -1.529 287 HG LEU 42 HG LEU 42 -2.221 -12.945 -0.694 288 HD11 LEU 42 1HD1 LEU 42 -0.050 -11.550 0.857 289 HD12 LEU 42 2HD1 LEU 42 -0.448 -13.262 1.002 290 HD13 LEU 42 3HD1 LEU 42 -1.637 -12.039 1.453 291 HD21 LEU 42 3HD2 LEU 42 -2.489 -10.492 -0.262 292 HD22 LEU 42 1HD2 LEU 42 -2.407 -10.936 -1.968 293 HD23 LEU 42 2HD2 LEU 42 -0.999 -10.233 -1.169 294 H GLU 43 H GLU 43 -0.774 -13.252 -5.574 295 HA GLU 43 HA GLU 43 2.140 -13.344 -5.870 296 HB2 GLU 43 2HB GLU 43 0.225 -15.424 -6.946 297 HB3 GLU 43 1HB GLU 43 1.930 -15.322 -7.354 298 HG2 GLU 43 2HG GLU 43 2.520 -15.727 -5.035 299 HG3 GLU 43 1HG GLU 43 0.812 -15.806 -4.608 300 H ILE 44 H ILE 44 -0.567 -11.878 -6.639 301 HA ILE 44 HA ILE 44 -0.234 -11.658 -9.516 302 HB ILE 44 HB ILE 44 -2.086 -9.874 -9.167 303 HG12 ILE 44 2HG1 ILE 44 -2.736 -11.410 -6.705 304 HG13 ILE 44 1HG1 ILE 44 -1.550 -10.119 -6.582 305 HG21 ILE 44 1HG2 ILE 44 -2.784 -12.732 -8.515 306 HG22 ILE 44 2HG2 ILE 44 -2.319 -12.185 -10.131 307 HG23 ILE 44 3HG2 ILE 44 -3.770 -11.539 -9.365 308 HD11 ILE 44 3HD1 ILE 44 -3.609 -9.168 -6.018 309 HD12 ILE 44 1HD1 ILE 44 -4.425 -9.934 -7.381 310 HD13 ILE 44 2HD1 ILE 44 -3.274 -8.629 -7.663 311 HA PRO 45 HA PRO 45 2.328 -8.079 -9.826 312 HB2 PRO 45 2HB PRO 45 0.066 -6.821 -11.320 313 HB3 PRO 45 1HB PRO 45 1.769 -6.945 -11.764 314 HG2 PRO 45 2HG PRO 45 -0.018 -8.532 -12.905 315 HG3 PRO 45 1HG PRO 45 1.568 -9.169 -12.425 316 HD2 PRO 45 2HD PRO 45 -1.094 -9.523 -11.117 317 HD3 PRO 45 1HD PRO 45 0.254 -10.669 -11.265 318 H ALA 46 H ALA 46 -1.016 -7.627 -8.869 319 HA ALA 46 HA ALA 46 -0.871 -4.954 -8.037 320 HB1 ALA 46 1HB ALA 46 -2.948 -6.298 -8.404 321 HB2 ALA 46 2HB ALA 46 -2.937 -5.332 -6.928 322 HB3 ALA 46 3HB ALA 46 -2.644 -7.071 -6.848 323 H VAL 47 H VAL 47 -0.102 -7.951 -6.315 324 HA VAL 47 HA VAL 47 0.042 -6.829 -3.746 325 HB VAL 47 HB VAL 47 1.783 -9.133 -4.584 326 HG11 VAL 47 1HG1 VAL 47 1.338 -9.896 -2.304 327 HG12 VAL 47 2HG1 VAL 47 0.334 -8.475 -2.021 328 HG13 VAL 47 3HG1 VAL 47 2.062 -8.289 -2.315 329 HG21 VAL 47 3HG2 VAL 47 -0.559 -9.361 -5.483 330 HG22 VAL 47 1HG2 VAL 47 -1.115 -9.366 -3.811 331 HG23 VAL 47 2HG2 VAL 47 -0.037 -10.638 -4.386 332 HA PRO 48 HA PRO 48 4.861 -6.340 -4.439 333 HB2 PRO 48 2HB PRO 48 4.936 -6.110 -7.397 334 HB3 PRO 48 1HB PRO 48 6.076 -6.902 -6.300 335 HG2 PRO 48 2HG PRO 48 4.432 -8.338 -7.823 336 HG3 PRO 48 1HG PRO 48 4.797 -8.833 -6.158 337 HD2 PRO 48 2HD PRO 48 2.361 -7.479 -7.241 338 HD3 PRO 48 1HD PRO 48 2.487 -8.768 -6.034 339 H ILE 49 H ILE 49 2.661 -5.000 -6.843 340 HA ILE 49 HA ILE 49 3.823 -2.453 -7.039 341 HB ILE 49 HB ILE 49 1.175 -3.612 -7.739 342 HG12 ILE 49 2HG1 ILE 49 2.922 -1.985 -9.522 343 HG13 ILE 49 1HG1 ILE 49 3.446 -3.601 -9.066 344 HG21 ILE 49 1HG2 ILE 49 0.707 -1.264 -8.759 345 HG22 ILE 49 2HG2 ILE 49 1.748 -0.709 -7.448 346 HG23 ILE 49 3HG2 ILE 49 0.278 -1.610 -7.085 347 HD11 ILE 49 3HD1 ILE 49 0.742 -3.088 -10.242 348 HD12 ILE 49 1HD1 ILE 49 1.628 -4.608 -10.126 349 HD13 ILE 49 2HD1 ILE 49 2.172 -3.354 -11.242 350 H LEU 50 H LEU 50 1.399 -3.781 -4.848 351 HA LEU 50 HA LEU 50 0.789 -1.258 -3.641 352 HB2 LEU 50 2HB LEU 50 -0.858 -2.998 -3.529 353 HB3 LEU 50 1HB LEU 50 0.274 -4.094 -2.767 354 HG LEU 50 HG LEU 50 0.330 -2.511 -0.800 355 HD11 LEU 50 1HD1 LEU 50 -0.509 -0.527 -1.931 356 HD12 LEU 50 2HD1 LEU 50 -1.538 -0.953 -0.563 357 HD13 LEU 50 3HD1 LEU 50 -2.056 -1.323 -2.208 358 HD21 LEU 50 3HD2 LEU 50 -1.052 -4.640 -1.010 359 HD22 LEU 50 1HD2 LEU 50 -2.431 -3.582 -1.333 360 HD23 LEU 50 2HD2 LEU 50 -1.564 -3.462 0.204 361 H HIS 51 H HIS 51 2.665 -4.098 -2.568 362 HA HIS 51 HA HIS 51 3.663 -3.047 -0.204 363 HB2 HIS 51 2HB HIS 51 4.907 -4.989 -2.159 364 HB3 HIS 51 1HB HIS 51 5.637 -4.591 -0.607 365 HD1 HIS 51 1HD HIS 51 5.266 -6.536 0.870 366 HD2 HIS 51 2HD HIS 51 1.889 -5.646 -1.380 367 HE1 HIS 51 1HE HIS 51 3.500 -8.150 1.642 368 HE2 HIS 51 2HE HIS 51 1.446 -7.551 0.312 369 H SER 52 H SER 52 4.393 -2.268 -3.467 370 HA SER 52 HA SER 52 6.905 -0.958 -2.858 371 HB2 SER 52 2HB SER 52 6.627 -2.071 -5.033 372 HB3 SER 52 1HB SER 52 5.273 -1.005 -5.412 373 HG SER 52 HG SER 52 7.788 0.069 -4.746 374 H MET 53 H MET 53 3.591 -0.037 -3.743 375 HA MET 53 HA MET 53 4.015 2.737 -3.802 376 HB2 MET 53 2HB MET 53 1.724 2.961 -3.981 377 HB3 MET 53 1HB MET 53 1.943 1.307 -4.525 378 HG2 MET 53 2HG MET 53 0.128 1.164 -3.111 379 HG3 MET 53 1HG MET 53 1.469 0.662 -2.088 380 HE1 MET 53 3HE MET 53 -1.134 1.314 -0.720 381 HE2 MET 53 1HE MET 53 -0.736 2.503 0.521 382 HE3 MET 53 2HE MET 53 0.323 1.118 0.255 383 H VAL 54 H VAL 54 3.715 0.467 -1.246 384 HA VAL 54 HA VAL 54 2.885 1.966 0.909 385 HB VAL 54 HB VAL 54 4.970 -0.201 0.778 386 HG11 VAL 54 1HG1 VAL 54 4.737 -0.438 3.189 387 HG12 VAL 54 2HG1 VAL 54 3.660 0.959 3.228 388 HG13 VAL 54 3HG1 VAL 54 5.351 1.163 2.766 389 HG21 VAL 54 3HG2 VAL 54 2.036 -0.162 1.404 390 HG22 VAL 54 1HG2 VAL 54 3.082 -1.504 1.865 391 HG23 VAL 54 2HG2 VAL 54 2.882 -1.083 0.165 392 H GLN 55 H GLN 55 6.163 1.655 -0.406 393 HA GLN 55 HA GLN 55 7.278 3.483 1.495 394 HB2 GLN 55 2HB GLN 55 8.552 2.633 -1.086 395 HB3 GLN 55 1HB GLN 55 9.327 3.130 0.412 396 HG2 GLN 55 2HG GLN 55 8.580 1.093 1.499 397 HG3 GLN 55 1HG GLN 55 7.750 0.599 0.025 398 HE21 GLN 55 1HE2 GLN 55 10.855 2.196 0.020 399 HE22 GLN 55 2HE2 GLN 55 11.771 0.835 -0.522 400 H LYS 56 H LYS 56 5.501 3.823 -1.342 401 HA LYS 56 HA LYS 56 6.693 6.376 -2.096 402 HB2 LYS 56 2HB LYS 56 4.352 4.898 -3.309 403 HB3 LYS 56 1HB LYS 56 5.142 6.315 -3.982 404 HG2 LYS 56 2HG LYS 56 7.180 5.059 -4.324 405 HG3 LYS 56 1HG LYS 56 6.457 3.639 -3.562 406 HD2 LYS 56 2HD LYS 56 6.295 3.293 -5.898 407 HD3 LYS 56 1HD LYS 56 4.678 3.747 -5.354 408 HE2 LYS 56 2HE LYS 56 5.056 4.986 -7.324 409 HE3 LYS 56 1HE LYS 56 5.282 6.120 -5.993 410 HZ1 LYS 56 3HZ LYS 56 7.012 6.350 -7.663 411 HZ2 LYS 56 1HZ LYS 56 7.458 4.730 -7.461 412 HZ3 LYS 56 2HZ LYS 56 7.668 5.830 -6.193 413 H PHE 57 H PHE 57 4.168 5.108 -0.202 414 HA PHE 57 HA PHE 57 3.125 7.811 0.237 415 HB2 PHE 57 2HB PHE 57 1.561 5.354 -0.473 416 HB3 PHE 57 1HB PHE 57 0.820 6.653 0.460 417 HD1 PHE 57 2HD PHE 57 0.553 8.893 -0.534 418 HD2 PHE 57 1HD PHE 57 1.982 5.584 -2.797 419 HE1 PHE 57 2HE PHE 57 0.080 10.116 -2.614 420 HE2 PHE 57 1HE PHE 57 1.513 6.802 -4.882 421 HZ PHE 57 HZ PHE 57 0.560 9.072 -4.792 422 HA PRO 58 HA PRO 58 4.332 5.430 4.173 423 HB2 PRO 58 2HB PRO 58 5.330 7.801 5.264 424 HB3 PRO 58 1HB PRO 58 6.297 6.515 4.535 425 HG2 PRO 58 2HG PRO 58 5.321 9.070 3.333 426 HG3 PRO 58 1HG PRO 58 6.882 8.254 3.120 427 HD2 PRO 58 2HD PRO 58 5.028 8.109 1.222 428 HD3 PRO 58 1HD PRO 58 5.994 6.680 1.641 429 H GLY 59 H GLY 59 3.137 8.770 3.776 430 HA2 GLY 59 2HA GLY 59 1.767 9.009 6.184 431 HA3 GLY 59 1HA GLY 59 1.326 9.843 4.699 432 H VAL 60 H VAL 60 0.676 7.665 3.107 433 HA VAL 60 HA VAL 60 -1.992 7.151 3.861 434 HB VAL 60 HB VAL 60 -0.183 6.029 1.734 435 HG11 VAL 60 1HG1 VAL 60 -2.049 4.763 0.813 436 HG12 VAL 60 2HG1 VAL 60 -3.057 5.221 2.184 437 HG13 VAL 60 3HG1 VAL 60 -1.650 4.185 2.430 438 HG21 VAL 60 3HG2 VAL 60 -1.024 8.258 1.371 439 HG22 VAL 60 1HG2 VAL 60 -2.677 7.722 1.678 440 HG23 VAL 60 2HG2 VAL 60 -1.814 7.146 0.252 441 H SER 61 H SER 61 -2.980 5.238 4.617 442 HA SER 61 HA SER 61 -1.259 3.635 6.304 443 HB2 SER 61 2HB SER 61 -3.440 4.435 7.140 444 HB3 SER 61 1HB SER 61 -4.251 3.471 5.908 445 HG SER 61 HG SER 61 -3.273 1.613 6.870 446 H PHE 62 H PHE 62 -0.076 2.263 5.091 447 HA PHE 62 HA PHE 62 -1.039 0.826 2.860 448 HB2 PHE 62 2HB PHE 62 1.040 -0.653 3.413 449 HB3 PHE 62 1HB PHE 62 1.276 1.013 2.890 450 HD1 PHE 62 2HD PHE 62 1.379 -1.270 5.771 451 HD2 PHE 62 1HD PHE 62 2.169 2.667 4.364 452 HE1 PHE 62 2HE PHE 62 2.681 -0.810 7.805 453 HE2 PHE 62 1HE PHE 62 3.473 3.136 6.398 454 HZ PHE 62 HZ PHE 62 3.729 1.396 8.121 455 H GLY 63 H GLY 63 -2.243 -0.937 2.742 456 HA2 GLY 63 2HA GLY 63 -2.232 -2.853 4.952 457 HA3 GLY 63 1HA GLY 63 -3.771 -2.120 4.522 458 H ILE 64 H ILE 64 -3.332 -4.867 4.424 459 HA ILE 64 HA ILE 64 -4.049 -5.380 1.691 460 HB ILE 64 HB ILE 64 -1.425 -5.462 1.985 461 HG12 ILE 64 2HG1 ILE 64 -2.961 -7.590 0.493 462 HG13 ILE 64 1HG1 ILE 64 -2.678 -5.951 -0.074 463 HG21 ILE 64 1HG2 ILE 64 -2.239 -8.226 2.863 464 HG22 ILE 64 2HG2 ILE 64 -1.393 -7.028 3.838 465 HG23 ILE 64 3HG2 ILE 64 -0.606 -7.727 2.424 466 HD11 ILE 64 3HD1 ILE 64 -1.148 -7.459 -1.148 467 HD12 ILE 64 1HD1 ILE 64 -0.596 -8.068 0.412 468 HD13 ILE 64 2HD1 ILE 64 -0.257 -6.400 -0.055 469 H SER 65 H SER 65 -5.199 -7.299 1.458 470 HA SER 65 HA SER 65 -5.362 -9.109 3.730 471 HB2 SER 65 2HB SER 65 -7.016 -7.468 4.366 472 HB3 SER 65 1HB SER 65 -7.736 -7.512 2.756 473 HG SER 65 HG SER 65 -8.886 -8.778 4.306 474 H THR 66 H THR 66 -6.488 -11.067 3.296 475 HA THR 66 HA THR 66 -7.108 -11.597 0.481 476 HB THR 66 HB THR 66 -5.934 -13.768 0.599 477 HG1 THR 66 1HG THR 66 -5.704 -14.255 2.711 478 HG21 THR 66 3HG2 THR 66 -4.848 -11.734 -0.338 479 HG22 THR 66 1HG2 THR 66 -3.712 -12.922 0.301 480 HG23 THR 66 2HG2 THR 66 -4.087 -11.473 1.232 481 H ASP 67 H ASP 67 -8.097 -11.618 3.582 482 HA ASP 67 HA ASP 67 -9.379 -14.132 3.841 483 HB2 ASP 67 2HB ASP 67 -8.858 -12.605 5.746 484 HB3 ASP 67 1HB ASP 67 -10.119 -11.518 5.173 485 H SER 68 H SER 68 -11.356 -14.815 3.236 486 HA SER 68 HA SER 68 -12.656 -13.586 1.080 487 HB2 SER 68 2HB SER 68 -13.682 -15.707 2.980 488 HB3 SER 68 1HB SER 68 -14.422 -15.287 1.437 489 HG SER 68 HG SER 68 -12.798 -16.216 0.378 490 H GLU 69 H GLU 69 -13.595 -13.764 4.517 491 HA GLU 69 HA GLU 69 -16.035 -12.486 4.382 492 HB2 GLU 69 2HB GLU 69 -14.003 -12.170 6.587 493 HB3 GLU 69 1HB GLU 69 -15.734 -11.890 6.711 494 HG2 GLU 69 2HG GLU 69 -16.159 -14.250 6.282 495 HG3 GLU 69 1HG GLU 69 -14.428 -14.539 6.128 496 H VAL 70 H VAL 70 -12.820 -11.019 4.551 497 HA VAL 70 HA VAL 70 -13.828 -8.359 4.716 498 HB VAL 70 HB VAL 70 -11.092 -9.421 4.001 499 HG11 VAL 70 1HG1 VAL 70 -10.292 -7.094 4.266 500 HG12 VAL 70 2HG1 VAL 70 -11.972 -6.557 4.331 501 HG13 VAL 70 3HG1 VAL 70 -11.342 -7.312 2.866 502 HG21 VAL 70 3HG2 VAL 70 -11.723 -9.751 6.321 503 HG22 VAL 70 1HG2 VAL 70 -12.154 -8.047 6.464 504 HG23 VAL 70 2HG2 VAL 70 -10.475 -8.510 6.202 505 H LEU 71 H LEU 71 -12.292 -10.201 2.089 506 HA LEU 71 HA LEU 71 -12.628 -8.295 0.075 507 HB2 LEU 71 2HB LEU 71 -12.236 -11.253 0.115 508 HB3 LEU 71 1HB LEU 71 -12.676 -10.482 -1.397 509 HG LEU 71 HG LEU 71 -10.689 -9.191 -1.440 510 HD11 LEU 71 1HD1 LEU 71 -10.175 -10.152 1.368 511 HD12 LEU 71 2HD1 LEU 71 -10.581 -8.508 0.868 512 HD13 LEU 71 3HD1 LEU 71 -9.043 -9.223 0.386 513 HD21 LEU 71 3HD2 LEU 71 -10.421 -11.524 -2.115 514 HD22 LEU 71 1HD2 LEU 71 -9.988 -11.954 -0.460 515 HD23 LEU 71 2HD2 LEU 71 -8.942 -10.885 -1.395 516 H THR 72 H THR 72 -14.916 -10.167 1.719 517 HA THR 72 HA THR 72 -16.904 -10.052 -0.407 518 HB THR 72 HB THR 72 -17.097 -11.121 2.419 519 HG1 THR 72 1HG THR 72 -17.082 -13.147 1.303 520 HG21 THR 72 3HG2 THR 72 -19.211 -12.176 1.551 521 HG22 THR 72 1HG2 THR 72 -19.073 -11.133 0.134 522 HG23 THR 72 2HG2 THR 72 -19.284 -10.423 1.734 523 H HIS 73 H HIS 73 -16.285 -8.704 2.803 524 HA HIS 73 HA HIS 73 -18.651 -7.231 3.076 525 HB2 HIS 73 2HB HIS 73 -17.112 -7.638 4.942 526 HB3 HIS 73 1HB HIS 73 -15.897 -6.619 4.176 527 HD1 HIS 73 1HD HIS 73 -19.142 -6.449 6.041 528 HD2 HIS 73 2HD HIS 73 -16.299 -3.868 4.451 529 HE1 HIS 73 1HE HIS 73 -19.700 -4.180 6.969 530 HE2 HIS 73 2HE HIS 73 -17.920 -2.649 6.058 531 H TYR 74 H TYR 74 -15.567 -6.440 1.546 532 HA TYR 74 HA TYR 74 -16.538 -3.793 0.813 533 HB2 TYR 74 2HB TYR 74 -13.892 -5.186 0.396 534 HB3 TYR 74 1HB TYR 74 -14.255 -3.599 -0.275 535 HD1 TYR 74 1HD TYR 74 -14.492 -1.655 1.192 536 HD2 TYR 74 2HD TYR 74 -13.494 -5.483 2.758 537 HE1 TYR 74 1HE TYR 74 -13.795 -0.604 3.302 538 HE2 TYR 74 2HE TYR 74 -12.794 -4.442 4.872 539 HH TYR 74 HH TYR 74 -12.017 -2.242 5.672 540 H ASN 75 H ASN 75 -17.351 -6.614 -0.272 541 HA ASN 75 HA ASN 75 -18.143 -7.474 -2.215 542 HB2 ASN 75 2HB ASN 75 -18.110 -4.551 -2.970 543 HB3 ASN 75 1HB ASN 75 -18.855 -5.811 -3.952 544 HD21 ASN 75 1HD2 ASN 75 -20.705 -6.855 -3.187 545 HD22 ASN 75 2HD2 ASN 75 -21.680 -6.175 -1.935 546 H ILE 76 H ILE 76 -15.201 -7.098 -1.836 547 HA ILE 76 HA ILE 76 -13.956 -6.484 -4.284 548 HB ILE 76 HB ILE 76 -12.969 -8.434 -2.198 549 HG12 ILE 76 2HG1 ILE 76 -13.534 -6.325 -1.135 550 HG13 ILE 76 1HG1 ILE 76 -11.790 -6.495 -1.220 551 HG21 ILE 76 1HG2 ILE 76 -10.728 -7.514 -3.054 552 HG22 ILE 76 2HG2 ILE 76 -11.652 -6.971 -4.453 553 HG23 ILE 76 3HG2 ILE 76 -11.589 -8.686 -4.051 554 HD11 ILE 76 3HD1 ILE 76 -11.671 -4.948 -3.043 555 HD12 ILE 76 1HD1 ILE 76 -12.596 -4.219 -1.732 556 HD13 ILE 76 2HD1 ILE 76 -13.430 -4.866 -3.144 557 H THR 77 H THR 77 -13.932 -7.548 -6.160 558 HA THR 77 HA THR 77 -14.189 -10.462 -6.171 559 HB THR 77 HB THR 77 -15.822 -10.360 -8.049 560 HG1 THR 77 1HG THR 77 -16.865 -8.400 -8.459 561 HG21 THR 77 3HG2 THR 77 -16.764 -9.061 -5.492 562 HG22 THR 77 1HG2 THR 77 -16.575 -10.794 -5.758 563 HG23 THR 77 2HG2 THR 77 -17.779 -9.889 -6.673 564 H GLY 78 H GLY 78 -11.803 -9.553 -6.574 565 HA2 GLY 78 2HA GLY 78 -10.797 -10.468 -8.865 566 HA3 GLY 78 1HA GLY 78 -11.368 -8.888 -9.377 567 H ASN 79 H ASN 79 -9.808 -9.904 -6.345 568 HA ASN 79 HA ASN 79 -8.017 -9.050 -5.224 569 HB2 ASN 79 2HB ASN 79 -6.915 -8.861 -8.033 570 HB3 ASN 79 1HB ASN 79 -5.960 -8.809 -6.558 571 HD21 ASN 79 1HD2 ASN 79 -7.903 -10.801 -8.646 572 HD22 ASN 79 2HD2 ASN 79 -7.360 -12.321 -8.032 573 H THR 80 H THR 80 -9.978 -7.209 -5.599 574 HA THR 80 HA THR 80 -9.142 -4.784 -6.802 575 HB THR 80 HB THR 80 -11.227 -5.293 -4.669 576 HG1 THR 80 1HG THR 80 -12.623 -5.552 -6.349 577 HG21 THR 80 3HG2 THR 80 -10.577 -2.925 -4.772 578 HG22 THR 80 1HG2 THR 80 -12.225 -3.182 -5.342 579 HG23 THR 80 2HG2 THR 80 -10.924 -2.916 -6.499 580 H ILE 81 H ILE 81 -8.603 -2.812 -5.800 581 HA ILE 81 HA ILE 81 -7.357 -3.013 -3.132 582 HB ILE 81 HB ILE 81 -6.473 -1.415 -5.540 583 HG12 ILE 81 2HG1 ILE 81 -5.102 -3.551 -3.898 584 HG13 ILE 81 1HG1 ILE 81 -5.752 -3.753 -5.520 585 HG21 ILE 81 1HG2 ILE 81 -4.725 -0.466 -4.133 586 HG22 ILE 81 2HG2 ILE 81 -5.389 -1.297 -2.729 587 HG23 ILE 81 3HG2 ILE 81 -6.323 -0.032 -3.527 588 HD11 ILE 81 3HD1 ILE 81 -4.130 -2.120 -6.353 589 HD12 ILE 81 1HD1 ILE 81 -3.355 -3.511 -5.591 590 HD13 ILE 81 2HD1 ILE 81 -3.460 -1.977 -4.726 591 H CYS 82 H CYS 82 -8.428 -1.806 -1.668 592 HA CYS 82 HA CYS 82 -10.053 0.406 -2.700 593 HB2 CYS 82 2HB CYS 82 -10.353 -1.202 -0.174 594 HB3 CYS 82 1HB CYS 82 -11.361 0.177 -0.599 595 HG CYS 82 HG CYS 82 -11.692 -1.520 -3.199 596 H LEU 83 H LEU 83 -9.803 2.424 -2.064 597 HA LEU 83 HA LEU 83 -7.817 3.011 0.018 598 HB2 LEU 83 2HB LEU 83 -7.000 3.999 -1.911 599 HB3 LEU 83 1HB LEU 83 -8.594 4.377 -2.524 600 HG LEU 83 HG LEU 83 -8.810 6.251 -1.036 601 HD11 LEU 83 1HD1 LEU 83 -7.521 5.102 0.852 602 HD12 LEU 83 2HD1 LEU 83 -7.332 6.845 0.665 603 HD13 LEU 83 3HD1 LEU 83 -6.073 5.753 0.081 604 HD21 LEU 83 3HD2 LEU 83 -6.127 6.161 -2.397 605 HD22 LEU 83 1HD2 LEU 83 -6.874 7.629 -1.765 606 HD23 LEU 83 2HD2 LEU 83 -7.653 6.736 -3.071 607 H PHE 84 H PHE 84 -8.955 3.273 1.876 608 HA PHE 84 HA PHE 84 -11.464 4.772 1.800 609 HB2 PHE 84 2HB PHE 84 -10.999 2.493 3.066 610 HB3 PHE 84 1HB PHE 84 -10.394 3.574 4.317 611 HD1 PHE 84 1HD PHE 84 -11.993 5.498 5.027 612 HD2 PHE 84 2HD PHE 84 -13.243 1.985 2.977 613 HE1 PHE 84 1HE PHE 84 -14.294 5.858 5.822 614 HE2 PHE 84 2HE PHE 84 -15.547 2.340 3.766 615 HZ PHE 84 HZ PHE 84 -16.074 4.277 5.191 616 H ARG 85 H ARG 85 -11.420 6.885 2.185 617 HA ARG 85 HA ARG 85 -9.156 7.998 3.693 618 HB2 ARG 85 2HB ARG 85 -11.058 9.850 2.393 619 HB3 ARG 85 1HB ARG 85 -9.300 9.881 2.441 620 HG2 ARG 85 2HG ARG 85 -9.214 8.148 0.726 621 HG3 ARG 85 1HG ARG 85 -10.983 8.127 0.669 622 HD2 ARG 85 2HD ARG 85 -9.119 10.349 -0.133 623 HD3 ARG 85 1HD ARG 85 -10.276 9.479 -1.141 624 HE ARG 85 HE ARG 85 -11.643 10.777 0.949 625 HH11 ARG 85 1HH1 ARG 85 -9.919 11.474 -1.998 626 HH12 ARG 85 2HH1 ARG 85 -10.790 12.938 -2.313 627 HH21 ARG 85 1HH2 ARG 85 -12.792 12.705 0.541 628 HH22 ARG 85 2HH2 ARG 85 -12.422 13.636 -0.871 629 H LEU 86 H LEU 86 -10.032 7.294 5.695 630 HA LEU 86 HA LEU 86 -12.260 7.430 7.013 631 HB2 LEU 86 2HB LEU 86 -10.503 7.005 8.398 632 HB3 LEU 86 1HB LEU 86 -9.554 8.346 7.792 633 HG LEU 86 HG LEU 86 -11.054 9.894 9.077 634 HD11 LEU 86 1HD1 LEU 86 -12.985 8.426 9.302 635 HD12 LEU 86 2HD1 LEU 86 -12.396 8.932 10.885 636 HD13 LEU 86 3HD1 LEU 86 -12.037 7.312 10.289 637 HD21 LEU 86 3HD2 LEU 86 -8.891 9.353 9.941 638 HD22 LEU 86 1HD2 LEU 86 -9.476 7.812 10.575 639 HD23 LEU 86 2HD2 LEU 86 -10.046 9.326 11.275 640 H VAL 87 H VAL 87 -10.420 10.481 6.769 641 HA VAL 87 HA VAL 87 -12.075 12.235 7.953 642 HB VAL 87 HB VAL 87 -11.417 13.797 5.872 643 HG11 VAL 87 1HG1 VAL 87 -9.556 12.816 8.033 644 HG12 VAL 87 2HG1 VAL 87 -10.716 14.139 8.166 645 HG13 VAL 87 3HG1 VAL 87 -9.329 14.286 7.086 646 HG21 VAL 87 3HG2 VAL 87 -9.217 13.036 5.020 647 HG22 VAL 87 1HG2 VAL 87 -10.558 12.019 4.493 648 HG23 VAL 87 2HG2 VAL 87 -9.497 11.475 5.795 649 H ASP 88 H ASP 88 -12.336 11.597 4.443 650 HA ASP 88 HA ASP 88 -15.035 12.697 4.511 651 HB2 ASP 88 2HB ASP 88 -13.179 11.997 2.239 652 HB3 ASP 88 1HB ASP 88 -14.845 12.516 1.994 653 H ASN 89 H ASN 89 -13.745 9.819 5.096 654 HA ASN 89 HA ASN 89 -14.427 7.655 5.035 655 HB2 ASN 89 2HB ASN 89 -17.159 8.895 4.690 656 HB3 ASN 89 1HB ASN 89 -16.812 7.272 5.283 657 HD21 ASN 89 1HD2 ASN 89 -16.734 10.667 6.004 658 HD22 ASN 89 2HD2 ASN 89 -16.492 10.507 7.706 659 H GLU 90 H GLU 90 -13.735 8.907 2.453 660 HA GLU 90 HA GLU 90 -15.528 7.845 0.486 661 HB2 GLU 90 2HB GLU 90 -12.664 8.751 0.151 662 HB3 GLU 90 1HB GLU 90 -13.831 8.493 -1.140 663 HG2 GLU 90 2HG GLU 90 -14.097 10.534 1.044 664 HG3 GLU 90 1HG GLU 90 -13.502 10.861 -0.581 665 H GLN 91 H GLN 91 -15.082 6.127 -0.984 666 HA GLN 91 HA GLN 91 -13.028 4.220 -0.127 667 HB2 GLN 91 2HB GLN 91 -15.211 3.580 0.891 668 HB3 GLN 91 1HB GLN 91 -15.889 3.445 -0.725 669 HG2 GLN 91 2HG GLN 91 -13.448 1.882 -0.045 670 HG3 GLN 91 1HG GLN 91 -15.014 1.338 0.552 671 HE21 GLN 91 1HE2 GLN 91 -16.484 2.302 -1.739 672 HE22 GLN 91 2HE2 GLN 91 -16.118 1.235 -3.048 673 H LEU 92 H LEU 92 -11.766 4.538 -1.902 674 HA LEU 92 HA LEU 92 -12.912 4.439 -4.566 675 HB2 LEU 92 2HB LEU 92 -10.026 4.655 -3.703 676 HB3 LEU 92 1HB LEU 92 -10.623 4.849 -5.337 677 HG LEU 92 HG LEU 92 -10.173 7.021 -4.506 678 HD11 LEU 92 1HD1 LEU 92 -13.138 6.535 -4.319 679 HD12 LEU 92 2HD1 LEU 92 -12.223 6.866 -5.790 680 HD13 LEU 92 3HD1 LEU 92 -12.360 8.103 -4.539 681 HD21 LEU 92 3HD2 LEU 92 -11.964 6.535 -2.143 682 HD22 LEU 92 1HD2 LEU 92 -10.891 7.901 -2.437 683 HD23 LEU 92 2HD2 LEU 92 -10.217 6.311 -2.086 684 H ASN 93 H ASN 93 -13.312 2.516 -5.481 685 HA ASN 93 HA ASN 93 -11.739 0.213 -4.593 686 HB2 ASN 93 2HB ASN 93 -13.605 -0.975 -6.053 687 HB3 ASN 93 1HB ASN 93 -13.921 -0.460 -4.400 688 HD21 ASN 93 1HD2 ASN 93 -14.510 0.152 -7.761 689 HD22 ASN 93 2HD2 ASN 93 -15.810 1.270 -7.543 690 H LEU 94 H LEU 94 -10.017 -0.189 -5.734 691 HA LEU 94 HA LEU 94 -9.963 0.244 -8.627 692 HB2 LEU 94 2HB LEU 94 -8.112 0.979 -6.957 693 HB3 LEU 94 1HB LEU 94 -7.676 -0.717 -6.914 694 HG LEU 94 HG LEU 94 -7.859 0.512 -9.597 695 HD11 LEU 94 1HD1 LEU 94 -6.771 2.304 -8.377 696 HD12 LEU 94 2HD1 LEU 94 -5.595 1.462 -9.386 697 HD13 LEU 94 3HD1 LEU 94 -5.647 1.155 -7.648 698 HD21 LEU 94 3HD2 LEU 94 -7.240 -1.821 -9.283 699 HD22 LEU 94 1HD2 LEU 94 -5.905 -1.342 -8.236 700 HD23 LEU 94 2HD2 LEU 94 -5.889 -0.903 -9.945 701 H GLU 95 H GLU 95 -11.447 -1.490 -9.011 702 HA GLU 95 HA GLU 95 -10.838 -4.157 -8.144 703 HB2 GLU 95 2HB GLU 95 -12.904 -3.273 -10.148 704 HB3 GLU 95 1HB GLU 95 -12.853 -4.801 -9.279 705 HG2 GLU 95 2HG GLU 95 -13.278 -3.700 -7.199 706 HG3 GLU 95 1HG GLU 95 -13.168 -2.116 -7.965 707 H ASP 96 H ASP 96 -11.620 -5.684 -10.273 708 HA ASP 96 HA ASP 96 -9.253 -6.300 -11.538 709 HB2 ASP 96 2HB ASP 96 -11.129 -7.846 -11.417 710 HB3 ASP 96 1HB ASP 96 -12.065 -6.830 -12.509 711 H GLU 97 H GLU 97 -11.766 -4.068 -12.600 712 HA GLU 97 HA GLU 97 -10.966 -3.705 -15.247 713 HB2 GLU 97 2HB GLU 97 -12.127 -1.685 -13.317 714 HB3 GLU 97 1HB GLU 97 -12.019 -1.458 -15.058 715 HG2 GLU 97 2HG GLU 97 -13.502 -3.338 -15.422 716 HG3 GLU 97 1HG GLU 97 -13.567 -3.648 -13.689 717 H ASP 98 H ASP 98 -9.362 -2.962 -12.380 718 HA ASP 98 HA ASP 98 -7.364 -1.377 -13.831 719 HB2 ASP 98 2HB ASP 98 -8.424 -0.901 -11.033 720 HB3 ASP 98 1HB ASP 98 -6.975 -0.129 -11.682 721 H ILE 99 H ILE 99 -8.035 -4.073 -11.872 722 HA ILE 99 HA ILE 99 -5.340 -4.305 -10.796 723 HB ILE 99 HB ILE 99 -7.772 -6.075 -10.513 724 HG12 ILE 99 2HG1 ILE 99 -7.753 -3.854 -9.353 725 HG13 ILE 99 1HG1 ILE 99 -7.925 -5.241 -8.289 726 HG21 ILE 99 1HG2 ILE 99 -5.909 -7.542 -10.364 727 HG22 ILE 99 2HG2 ILE 99 -6.432 -7.205 -8.712 728 HG23 ILE 99 3HG2 ILE 99 -5.008 -6.399 -9.368 729 HD11 ILE 99 3HD1 ILE 99 -6.434 -3.610 -7.328 730 HD12 ILE 99 1HD1 ILE 99 -5.409 -3.662 -8.765 731 HD13 ILE 99 2HD1 ILE 99 -5.548 -5.083 -7.727 732 H GLU 100 H GLU 100 -7.279 -5.555 -13.398 733 HA GLU 100 HA GLU 100 -5.918 -7.906 -14.009 734 HB2 GLU 100 2HB GLU 100 -8.051 -7.201 -15.053 735 HB3 GLU 100 1HB GLU 100 -7.185 -5.961 -15.948 736 HG2 GLU 100 2HG GLU 100 -7.621 -7.877 -17.353 737 HG3 GLU 100 1HG GLU 100 -5.889 -7.689 -17.089 738 H SER 101 H SER 101 -5.189 -4.563 -14.825 739 HA SER 101 HA SER 101 -2.534 -5.434 -15.741 740 HB2 SER 101 2HB SER 101 -4.181 -3.234 -17.019 741 HB3 SER 101 1HB SER 101 -2.564 -3.743 -17.505 742 HG SER 101 HG SER 101 -3.367 -5.503 -18.411 743 H ILE 102 H ILE 102 -3.245 -4.575 -13.152 744 HA ILE 102 HA ILE 102 -2.814 -1.838 -12.691 745 HB ILE 102 HB ILE 102 -3.793 -3.304 -11.000 746 HG12 ILE 102 2HG1 ILE 102 -2.366 -2.517 -9.047 747 HG13 ILE 102 1HG1 ILE 102 -1.239 -1.884 -10.242 748 HG21 ILE 102 1HG2 ILE 102 -1.041 -4.531 -10.938 749 HG22 ILE 102 2HG2 ILE 102 -2.580 -5.327 -11.272 750 HG23 ILE 102 3HG2 ILE 102 -2.227 -4.739 -9.647 751 HD11 ILE 102 3HD1 ILE 102 -4.080 -1.035 -9.791 752 HD12 ILE 102 1HD1 ILE 102 -3.102 -0.507 -11.157 753 HD13 ILE 102 2HD1 ILE 102 -2.615 -0.097 -9.512 754 H ASP 103 H ASP 103 -1.034 -0.670 -12.143 755 HA ASP 103 HA ASP 103 1.584 -1.973 -12.199 756 HB2 ASP 103 2HB ASP 103 0.906 0.511 -13.789 757 HB3 ASP 103 1HB ASP 103 2.504 -0.212 -13.635 758 H ALA 104 H ALA 104 3.203 -0.835 -11.005 759 HA ALA 104 HA ALA 104 2.406 0.324 -8.655 760 HB1 ALA 104 1HB ALA 104 4.646 -0.494 -8.975 761 HB2 ALA 104 2HB ALA 104 4.695 1.183 -8.427 762 HB3 ALA 104 3HB ALA 104 4.989 0.801 -10.125 763 H THR 105 H THR 105 2.973 1.858 -11.744 764 HA THR 105 HA THR 105 2.879 4.547 -10.919 765 HB THR 105 HB THR 105 2.034 3.328 -13.554 766 HG1 THR 105 1HG THR 105 4.176 2.975 -13.419 767 HG21 THR 105 3HG2 THR 105 2.576 6.182 -12.761 768 HG22 THR 105 1HG2 THR 105 1.062 5.504 -13.357 769 HG23 THR 105 2HG2 THR 105 2.456 5.625 -14.432 770 H LYS 106 H LYS 106 0.354 2.363 -12.119 771 HA LYS 106 HA LYS 106 -1.781 4.164 -12.019 772 HB2 LYS 106 2HB LYS 106 -1.845 1.165 -11.632 773 HB3 LYS 106 1HB LYS 106 -3.221 2.179 -12.044 774 HG2 LYS 106 2HG LYS 106 -2.183 2.761 -14.163 775 HG3 LYS 106 1HG LYS 106 -0.769 1.789 -13.748 776 HD2 LYS 106 2HD LYS 106 -2.147 0.477 -15.197 777 HD3 LYS 106 1HD LYS 106 -2.295 -0.194 -13.572 778 HE2 LYS 106 2HE LYS 106 -4.400 1.023 -13.267 779 HE3 LYS 106 1HE LYS 106 -4.252 1.684 -14.895 780 HZ1 LYS 106 3HZ LYS 106 -5.741 -0.213 -14.848 781 HZ2 LYS 106 1HZ LYS 106 -4.520 -1.197 -14.212 782 HZ3 LYS 106 2HZ LYS 106 -4.369 -0.568 -15.775 783 H LEU 107 H LEU 107 -0.986 1.603 -9.636 784 HA LEU 107 HA LEU 107 -2.865 2.242 -7.725 785 HB2 LEU 107 2HB LEU 107 -0.695 0.535 -7.856 786 HB3 LEU 107 1HB LEU 107 -0.254 1.619 -6.555 787 HG LEU 107 HG LEU 107 -2.487 -0.365 -6.689 788 HD11 LEU 107 1HD1 LEU 107 -0.368 0.371 -4.682 789 HD12 LEU 107 2HD1 LEU 107 -0.508 -1.117 -5.621 790 HD13 LEU 107 3HD1 LEU 107 -1.674 -0.767 -4.347 791 HD21 LEU 107 3HD2 LEU 107 -3.479 0.677 -4.659 792 HD22 LEU 107 1HD2 LEU 107 -3.684 1.641 -6.122 793 HD23 LEU 107 2HD2 LEU 107 -2.462 2.090 -4.936 794 H SER 108 H SER 108 0.492 3.429 -7.861 795 HA SER 108 HA SER 108 0.314 5.240 -5.743 796 HB2 SER 108 2HB SER 108 2.046 5.372 -8.221 797 HB3 SER 108 1HB SER 108 2.295 6.325 -6.758 798 HG SER 108 HG SER 108 2.171 3.948 -5.847 799 H ARG 109 H ARG 109 -0.711 5.490 -9.062 800 HA ARG 109 HA ARG 109 -1.018 8.308 -9.120 801 HB2 ARG 109 2HB ARG 109 -0.816 6.880 -11.149 802 HB3 ARG 109 1HB ARG 109 -2.401 6.215 -10.805 803 HG2 ARG 109 2HG ARG 109 -2.015 9.160 -11.172 804 HG3 ARG 109 1HG ARG 109 -2.200 8.079 -12.555 805 HD2 ARG 109 2HD ARG 109 -4.311 7.236 -11.441 806 HD3 ARG 109 1HD ARG 109 -4.154 8.596 -10.322 807 HE ARG 109 HE ARG 109 -4.019 9.639 -12.891 808 HH11 ARG 109 1HH1 ARG 109 -6.325 7.932 -10.910 809 HH12 ARG 109 2HH1 ARG 109 -7.705 8.636 -11.688 810 HH21 ARG 109 1HH2 ARG 109 -5.832 10.569 -13.916 811 HH22 ARG 109 2HH2 ARG 109 -7.425 10.136 -13.393 812 H PHE 110 H PHE 110 -3.514 5.776 -9.195 813 HA PHE 110 HA PHE 110 -5.739 7.225 -8.648 814 HB2 PHE 110 2HB PHE 110 -4.933 4.457 -7.819 815 HB3 PHE 110 1HB PHE 110 -6.462 5.127 -7.256 816 HD1 PHE 110 2HD PHE 110 -4.521 4.354 -10.320 817 HD2 PHE 110 1HD PHE 110 -8.349 5.120 -8.625 818 HE1 PHE 110 2HE PHE 110 -5.586 3.710 -12.443 819 HE2 PHE 110 1HE PHE 110 -9.420 4.475 -10.745 820 HZ PHE 110 HZ PHE 110 -8.038 3.770 -12.657 821 H ILE 111 H ILE 111 -3.415 5.993 -6.266 822 HA ILE 111 HA ILE 111 -4.713 6.996 -3.978 823 HB ILE 111 HB ILE 111 -1.771 6.493 -4.466 824 HG12 ILE 111 2HG1 ILE 111 -3.781 4.846 -2.925 825 HG13 ILE 111 1HG1 ILE 111 -3.369 4.553 -4.608 826 HG21 ILE 111 1HG2 ILE 111 -1.544 6.509 -2.025 827 HG22 ILE 111 2HG2 ILE 111 -3.230 7.008 -1.879 828 HG23 ILE 111 3HG2 ILE 111 -2.057 8.078 -2.650 829 HD11 ILE 111 3HD1 ILE 111 -2.154 3.051 -3.167 830 HD12 ILE 111 1HD1 ILE 111 -1.487 4.416 -2.270 831 HD13 ILE 111 2HD1 ILE 111 -1.042 4.166 -3.959 832 H GLU 112 H GLU 112 -1.978 8.313 -5.836 833 HA GLU 112 HA GLU 112 -1.708 10.734 -4.523 834 HB2 GLU 112 2HB GLU 112 -0.190 9.784 -6.299 835 HB3 GLU 112 1HB GLU 112 -1.367 10.319 -7.497 836 HG2 GLU 112 2HG GLU 112 -1.050 12.628 -6.785 837 HG3 GLU 112 1HG GLU 112 0.114 12.100 -5.571 838 H ILE 113 H ILE 113 -4.207 9.604 -6.521 839 HA ILE 113 HA ILE 113 -5.185 12.226 -7.265 840 HB ILE 113 HB ILE 113 -5.694 9.458 -8.090 841 HG12 ILE 113 2HG1 ILE 113 -5.982 10.529 -10.274 842 HG13 ILE 113 1HG1 ILE 113 -5.969 12.114 -9.509 843 HG21 ILE 113 1HG2 ILE 113 -7.974 11.410 -7.972 844 HG22 ILE 113 2HG2 ILE 113 -7.883 9.807 -7.242 845 HG23 ILE 113 3HG2 ILE 113 -7.951 9.973 -8.994 846 HD11 ILE 113 3HD1 ILE 113 -3.832 11.563 -10.566 847 HD12 ILE 113 1HD1 ILE 113 -3.676 10.164 -9.506 848 HD13 ILE 113 2HD1 ILE 113 -3.669 11.790 -8.825 849 H ASN 114 H ASN 114 -6.028 9.609 -5.033 850 HA ASN 114 HA ASN 114 -8.075 11.401 -3.899 851 HB2 ASN 114 2HB ASN 114 -8.214 8.401 -4.208 852 HB3 ASN 114 1HB ASN 114 -9.344 9.349 -3.240 853 HD21 ASN 114 1HD2 ASN 114 -9.577 7.706 -5.765 854 HD22 ASN 114 2HD2 ASN 114 -10.403 8.745 -6.870 855 H SER 115 H SER 115 -5.253 11.047 -3.114 856 HA SER 115 HA SER 115 -5.356 9.644 -0.589 857 HB2 SER 115 2HB SER 115 -3.032 10.397 -0.319 858 HB3 SER 115 1HB SER 115 -3.276 9.688 -1.915 859 HG SER 115 HG SER 115 -2.333 12.073 -1.359 860 H LEU 116 H LEU 116 -7.348 11.431 -0.547 861 HA LEU 116 HA LEU 116 -6.413 13.789 0.906 862 HB2 LEU 116 2HB LEU 116 -9.187 13.118 -0.062 863 HB3 LEU 116 1HB LEU 116 -8.654 14.656 0.599 864 HG LEU 116 HG LEU 116 -7.785 13.429 -2.019 865 HD11 LEU 116 1HD1 LEU 116 -8.937 15.325 -3.019 866 HD12 LEU 116 2HD1 LEU 116 -9.418 15.892 -1.419 867 HD13 LEU 116 3HD1 LEU 116 -10.045 14.365 -2.038 868 HD21 LEU 116 3HD2 LEU 116 -5.925 14.621 -1.016 869 HD22 LEU 116 1HD2 LEU 116 -6.954 16.023 -0.720 870 HD23 LEU 116 2HD2 LEU 116 -6.573 15.543 -2.372 Start of MODEL 39 1 H GLU 1 H GLU 1 4.753 13.764 13.218 2 HA GLU 1 HA GLU 1 3.358 16.069 14.097 3 HB2 GLU 1 2HB GLU 1 5.832 16.709 12.476 4 HB3 GLU 1 1HB GLU 1 4.555 17.849 12.879 5 HG2 GLU 1 2HG GLU 1 5.070 17.642 15.234 6 HG3 GLU 1 1HG GLU 1 6.300 16.430 14.878 7 H VAL 2 H VAL 2 2.050 16.999 12.446 8 HA VAL 2 HA VAL 2 2.019 15.423 9.955 9 HB VAL 2 HB VAL 2 0.103 14.849 11.333 10 HG11 VAL 2 1HG1 VAL 2 -0.032 16.879 12.674 11 HG12 VAL 2 2HG1 VAL 2 -1.590 16.512 11.933 12 HG13 VAL 2 3HG1 VAL 2 -0.574 17.788 11.264 13 HG21 VAL 2 3HG2 VAL 2 -0.206 14.892 8.917 14 HG22 VAL 2 1HG2 VAL 2 -0.679 16.590 8.996 15 HG23 VAL 2 2HG2 VAL 2 -1.691 15.355 9.747 16 H GLU 3 H GLU 3 2.060 16.496 8.080 17 HA GLU 3 HA GLU 3 1.020 19.093 7.674 18 HB2 GLU 3 2HB GLU 3 3.171 20.274 7.265 19 HB3 GLU 3 1HB GLU 3 2.915 19.856 8.953 20 HG2 GLU 3 2HG GLU 3 4.401 17.929 8.695 21 HG3 GLU 3 1HG GLU 3 4.669 18.371 7.010 22 H LYS 4 H LYS 4 1.598 19.947 5.486 23 HA LYS 4 HA LYS 4 1.725 17.722 3.619 24 HB2 LYS 4 2HB LYS 4 1.157 20.660 3.188 25 HB3 LYS 4 1HB LYS 4 1.098 19.434 1.929 26 HG2 LYS 4 2HG LYS 4 -0.689 18.280 3.161 27 HG3 LYS 4 1HG LYS 4 -0.651 19.557 4.379 28 HD2 LYS 4 2HD LYS 4 -1.268 21.204 2.694 29 HD3 LYS 4 1HD LYS 4 -1.256 19.953 1.449 30 HE2 LYS 4 2HE LYS 4 -3.084 20.061 3.849 31 HE3 LYS 4 1HE LYS 4 -3.531 20.441 2.185 32 HZ1 LYS 4 3HZ LYS 4 -3.001 18.148 1.578 33 HZ2 LYS 4 1HZ LYS 4 -4.214 18.213 2.757 34 HZ3 LYS 4 2HZ LYS 4 -2.634 17.795 3.192 35 H SER 5 H SER 5 4.136 17.911 4.743 36 HA SER 5 HA SER 5 5.816 18.615 2.508 37 HB2 SER 5 2HB SER 5 6.159 20.005 5.175 38 HB3 SER 5 1HB SER 5 7.344 20.038 3.871 39 HG SER 5 HG SER 5 6.038 21.285 2.687 40 H SER 6 H SER 6 7.423 17.185 2.329 41 HA SER 6 HA SER 6 8.395 15.804 4.723 42 HB2 SER 6 2HB SER 6 6.686 14.331 3.769 43 HB3 SER 6 1HB SER 6 7.480 14.404 2.196 44 HG SER 6 HG SER 6 9.199 13.666 4.161 45 H ASP 7 H ASP 7 10.541 15.783 4.784 46 HA ASP 7 HA ASP 7 12.064 15.670 2.290 47 HB2 ASP 7 2HB ASP 7 12.513 17.770 4.424 48 HB3 ASP 7 1HB ASP 7 13.543 17.506 3.020 49 H GLY 8 H GLY 8 11.501 13.850 4.564 50 HA2 GLY 8 2HA GLY 8 14.156 13.617 5.795 51 HA3 GLY 8 1HA GLY 8 12.701 12.789 6.327 52 HA PRO 9 HA PRO 9 15.425 9.764 4.014 53 HB2 PRO 9 2HB PRO 9 14.330 7.986 6.112 54 HB3 PRO 9 1HB PRO 9 15.996 8.184 5.561 55 HG2 PRO 9 2HG PRO 9 15.205 9.146 7.923 56 HG3 PRO 9 1HG PRO 9 16.365 10.029 6.913 57 HD2 PRO 9 2HD PRO 9 13.438 10.523 7.314 58 HD3 PRO 9 1HD PRO 9 14.772 11.689 7.190 59 H GLY 10 H GLY 10 14.643 7.315 3.565 60 HA2 GLY 10 2HA GLY 10 12.293 7.600 1.972 61 HA3 GLY 10 1HA GLY 10 13.220 6.125 2.201 62 H ALA 11 H ALA 11 12.030 4.538 2.990 63 HA ALA 11 HA ALA 11 10.473 4.882 5.375 64 HB1 ALA 11 1HB ALA 11 8.883 5.741 3.727 65 HB2 ALA 11 2HB ALA 11 8.318 4.225 4.429 66 HB3 ALA 11 3HB ALA 11 9.016 4.240 2.810 67 H ALA 12 H ALA 12 10.280 2.689 2.575 68 HA ALA 12 HA ALA 12 10.549 0.442 2.371 69 HB1 ALA 12 1HB ALA 12 12.504 0.677 4.643 70 HB2 ALA 12 2HB ALA 12 12.871 1.157 2.986 71 HB3 ALA 12 3HB ALA 12 12.483 -0.525 3.352 72 H GLN 13 H GLN 13 8.627 -0.430 2.950 73 HA GLN 13 HA GLN 13 8.477 -1.904 5.382 74 HB2 GLN 13 2HB GLN 13 6.273 -0.701 6.061 75 HB3 GLN 13 1HB GLN 13 7.815 0.009 6.522 76 HG2 GLN 13 2HG GLN 13 7.588 1.352 4.330 77 HG3 GLN 13 1HG GLN 13 5.889 0.885 4.411 78 HE21 GLN 13 1HE2 GLN 13 7.840 1.454 7.248 79 HE22 GLN 13 2HE2 GLN 13 7.053 2.912 7.737 80 H GLU 14 H GLU 14 6.008 -2.691 5.609 81 HA GLU 14 HA GLU 14 5.040 -3.304 2.898 82 HB2 GLU 14 2HB GLU 14 4.677 -5.601 3.493 83 HB3 GLU 14 1HB GLU 14 6.343 -5.195 3.880 84 HG2 GLU 14 2HG GLU 14 5.609 -4.831 6.243 85 HG3 GLU 14 1HG GLU 14 4.039 -5.490 5.781 86 HA PRO 15 HA PRO 15 1.003 -2.215 4.279 87 HB2 PRO 15 2HB PRO 15 -0.559 -4.053 2.991 88 HB3 PRO 15 1HB PRO 15 0.184 -2.659 2.198 89 HG2 PRO 15 2HG PRO 15 1.061 -5.511 2.243 90 HG3 PRO 15 1HG PRO 15 1.091 -4.344 0.908 91 HD2 PRO 15 2HD PRO 15 3.293 -4.999 2.355 92 HD3 PRO 15 1HD PRO 15 3.063 -3.406 1.607 93 H THR 16 H THR 16 -0.409 -2.604 5.890 94 HA THR 16 HA THR 16 0.122 -4.561 7.816 95 HB THR 16 HB THR 16 -2.481 -3.064 7.459 96 HG1 THR 16 1HG THR 16 -0.026 -2.123 7.942 97 HG21 THR 16 3HG2 THR 16 -1.165 -4.314 9.873 98 HG22 THR 16 1HG2 THR 16 -2.651 -4.848 9.087 99 HG23 THR 16 2HG2 THR 16 -2.606 -3.296 9.923 100 H TRP 17 H TRP 17 -1.138 -6.331 8.545 101 HA TRP 17 HA TRP 17 -2.434 -7.777 6.356 102 HB2 TRP 17 2HB TRP 17 -1.363 -8.723 9.019 103 HB3 TRP 17 1HB TRP 17 -2.141 -9.766 7.832 104 HD1 TRP 17 HD TRP 17 1.120 -7.926 8.527 105 HE1 TRP 17 1HE TRP 17 2.903 -8.733 6.855 106 HE3 TRP 17 3HE TRP 17 -1.858 -10.707 5.439 107 HZ2 TRP 17 2HZ TRP 17 3.032 -10.336 4.536 108 HZ3 TRP 17 3HZ TRP 17 -0.827 -11.847 3.517 109 HH2 TRP 17 HH TRP 17 1.567 -11.663 3.075 110 H LEU 18 H LEU 18 -4.510 -7.070 6.305 111 HA LEU 18 HA LEU 18 -6.096 -7.021 8.766 112 HB2 LEU 18 2HB LEU 18 -6.908 -6.264 5.959 113 HB3 LEU 18 1HB LEU 18 -7.777 -5.903 7.438 114 HG LEU 18 HG LEU 18 -5.058 -4.805 6.736 115 HD11 LEU 18 1HD1 LEU 18 -7.783 -3.537 6.589 116 HD12 LEU 18 2HD1 LEU 18 -6.712 -3.904 5.238 117 HD13 LEU 18 3HD1 LEU 18 -6.254 -2.676 6.418 118 HD21 LEU 18 3HD2 LEU 18 -5.533 -3.259 8.623 119 HD22 LEU 18 1HD2 LEU 18 -5.331 -4.941 9.112 120 HD23 LEU 18 2HD2 LEU 18 -6.945 -4.240 9.015 121 H THR 19 H THR 19 -5.942 -9.381 8.956 122 HA THR 19 HA THR 19 -7.138 -11.067 6.978 123 HB THR 19 HB THR 19 -6.875 -12.870 8.605 124 HG1 THR 19 1HG THR 19 -7.011 -12.308 10.638 125 HG21 THR 19 3HG2 THR 19 -4.441 -12.736 8.902 126 HG22 THR 19 1HG2 THR 19 -4.492 -11.016 8.518 127 HG23 THR 19 2HG2 THR 19 -4.925 -12.207 7.292 128 H ASP 20 H ASP 20 -8.551 -8.945 9.089 129 HA ASP 20 HA ASP 20 -11.067 -10.424 8.938 130 HB2 ASP 20 2HB ASP 20 -9.914 -9.281 11.484 131 HB3 ASP 20 1HB ASP 20 -11.594 -9.781 11.307 132 H VAL 21 H VAL 21 -12.921 -9.176 8.908 133 HA VAL 21 HA VAL 21 -12.787 -6.710 7.653 134 HB VAL 21 HB VAL 21 -15.098 -7.680 9.339 135 HG11 VAL 21 1HG1 VAL 21 -15.040 -5.831 6.956 136 HG12 VAL 21 2HG1 VAL 21 -15.223 -5.324 8.635 137 HG13 VAL 21 3HG1 VAL 21 -16.466 -6.316 7.873 138 HG21 VAL 21 3HG2 VAL 21 -14.549 -8.202 6.421 139 HG22 VAL 21 1HG2 VAL 21 -15.942 -8.760 7.347 140 HG23 VAL 21 2HG2 VAL 21 -14.330 -9.379 7.716 141 HA PRO 22 HA PRO 22 -13.769 -4.659 12.004 142 HB2 PRO 22 2HB PRO 22 -12.548 -6.018 14.078 143 HB3 PRO 22 1HB PRO 22 -14.268 -6.106 13.692 144 HG2 PRO 22 2HG PRO 22 -12.061 -7.983 12.959 145 HG3 PRO 22 1HG PRO 22 -13.713 -8.348 13.490 146 HD2 PRO 22 2HD PRO 22 -13.026 -8.513 10.917 147 HD3 PRO 22 1HD PRO 22 -14.620 -7.893 11.399 148 H ALA 23 H ALA 23 -10.786 -6.618 11.849 149 HA ALA 23 HA ALA 23 -9.096 -4.630 12.904 150 HB1 ALA 23 1HB ALA 23 -8.317 -6.847 11.010 151 HB2 ALA 23 2HB ALA 23 -8.507 -7.040 12.755 152 HB3 ALA 23 3HB ALA 23 -7.257 -5.971 12.116 153 H ALA 24 H ALA 24 -10.211 -5.359 9.699 154 HA ALA 24 HA ALA 24 -8.445 -3.708 8.244 155 HB1 ALA 24 1HB ALA 24 -10.233 -3.779 6.481 156 HB2 ALA 24 2HB ALA 24 -11.240 -4.669 7.625 157 HB3 ALA 24 3HB ALA 24 -9.717 -5.362 7.069 158 H MET 25 H MET 25 -11.840 -3.144 9.153 159 HA MET 25 HA MET 25 -11.939 -0.445 8.434 160 HB2 MET 25 2HB MET 25 -13.569 -1.800 10.586 161 HB3 MET 25 1HB MET 25 -13.998 -0.345 9.697 162 HG2 MET 25 2HG MET 25 -14.043 -1.688 7.617 163 HG3 MET 25 1HG MET 25 -13.749 -3.128 8.584 164 HE1 MET 25 3HE MET 25 -16.006 0.023 9.382 165 HE2 MET 25 1HE MET 25 -17.568 -0.550 8.800 166 HE3 MET 25 2HE MET 25 -16.248 -0.282 7.662 167 H GLU 26 H GLU 26 -10.672 -2.005 11.279 168 HA GLU 26 HA GLU 26 -10.729 0.314 12.948 169 HB2 GLU 26 2HB GLU 26 -9.393 -2.363 13.115 170 HB3 GLU 26 1HB GLU 26 -8.914 -1.077 14.217 171 HG2 GLU 26 2HG GLU 26 -11.368 -0.859 14.801 172 HG3 GLU 26 1HG GLU 26 -11.597 -2.381 13.938 173 H PHE 27 H PHE 27 -8.127 -1.330 11.148 174 HA PHE 27 HA PHE 27 -6.126 0.526 11.729 175 HB2 PHE 27 2HB PHE 27 -6.523 -1.563 9.663 176 HB3 PHE 27 1HB PHE 27 -5.333 -0.315 9.297 177 HD1 PHE 27 1HD PHE 27 -3.356 -0.033 10.716 178 HD2 PHE 27 2HD PHE 27 -6.122 -3.202 11.359 179 HE1 PHE 27 1HE PHE 27 -1.698 -1.191 12.117 180 HE2 PHE 27 2HE PHE 27 -4.469 -4.365 12.761 181 HZ PHE 27 HZ PHE 27 -2.255 -3.359 13.143 182 H ILE 28 H ILE 28 -8.681 0.523 9.336 183 HA ILE 28 HA ILE 28 -7.736 2.801 7.891 184 HB ILE 28 HB ILE 28 -10.410 1.427 8.051 185 HG12 ILE 28 2HG1 ILE 28 -8.651 1.874 5.642 186 HG13 ILE 28 1HG1 ILE 28 -8.416 0.506 6.732 187 HG21 ILE 28 1HG2 ILE 28 -10.959 3.744 7.784 188 HG22 ILE 28 2HG2 ILE 28 -11.166 2.941 6.230 189 HG23 ILE 28 3HG2 ILE 28 -9.742 3.936 6.526 190 HD11 ILE 28 3HD1 ILE 28 -10.452 -0.459 6.146 191 HD12 ILE 28 1HD1 ILE 28 -9.808 0.149 4.621 192 HD13 ILE 28 2HD1 ILE 28 -11.072 1.046 5.461 193 H ALA 29 H ALA 29 -9.964 2.279 10.573 194 HA ALA 29 HA ALA 29 -10.827 4.987 10.768 195 HB1 ALA 29 1HB ALA 29 -10.953 2.732 12.774 196 HB2 ALA 29 2HB ALA 29 -12.212 3.201 11.629 197 HB3 ALA 29 3HB ALA 29 -11.766 4.290 12.942 198 H ALA 30 H ALA 30 -8.001 3.336 11.722 199 HA ALA 30 HA ALA 30 -7.344 5.282 13.805 200 HB1 ALA 30 1HB ALA 30 -6.903 2.920 14.258 201 HB2 ALA 30 2HB ALA 30 -5.413 3.864 14.258 202 HB3 ALA 30 3HB ALA 30 -5.818 2.856 12.869 203 H THR 31 H THR 31 -7.518 6.014 10.951 204 HA THR 31 HA THR 31 -5.207 7.638 10.792 205 HB THR 31 HB THR 31 -4.077 5.585 10.141 206 HG1 THR 31 1HG THR 31 -3.588 6.307 7.859 207 HG21 THR 31 3HG2 THR 31 -5.805 5.356 7.714 208 HG22 THR 31 1HG2 THR 31 -6.317 4.621 9.233 209 HG23 THR 31 2HG2 THR 31 -4.793 4.138 8.494 210 H GLU 32 H GLU 32 -5.218 9.053 8.959 211 HA GLU 32 HA GLU 32 -7.810 9.822 8.111 212 HB2 GLU 32 2HB GLU 32 -5.596 11.196 8.344 213 HB3 GLU 32 1HB GLU 32 -5.311 10.680 6.687 214 HG2 GLU 32 2HG GLU 32 -7.345 11.730 5.958 215 HG3 GLU 32 1HG GLU 32 -7.766 12.138 7.621 216 H VAL 33 H VAL 33 -5.139 9.129 5.868 217 HA VAL 33 HA VAL 33 -7.072 7.954 4.018 218 HB VAL 33 HB VAL 33 -4.171 8.588 3.488 219 HG11 VAL 33 1HG1 VAL 33 -5.117 7.031 1.901 220 HG12 VAL 33 2HG1 VAL 33 -4.900 8.603 1.131 221 HG13 VAL 33 3HG1 VAL 33 -6.510 8.087 1.649 222 HG21 VAL 33 3HG2 VAL 33 -6.623 10.287 3.054 223 HG22 VAL 33 1HG2 VAL 33 -5.020 10.643 2.402 224 HG23 VAL 33 2HG2 VAL 33 -5.279 10.625 4.148 225 H ALA 34 H ALA 34 -7.012 5.844 3.357 226 HA ALA 34 HA ALA 34 -4.828 4.145 4.306 227 HB1 ALA 34 1HB ALA 34 -7.740 3.718 4.928 228 HB2 ALA 34 2HB ALA 34 -6.401 3.894 6.064 229 HB3 ALA 34 3HB ALA 34 -6.526 2.445 5.062 230 H VAL 35 H VAL 35 -4.137 2.841 2.773 231 HA VAL 35 HA VAL 35 -5.987 2.130 0.597 232 HB VAL 35 HB VAL 35 -3.011 2.602 0.516 233 HG11 VAL 35 1HG1 VAL 35 -3.423 0.592 -0.767 234 HG12 VAL 35 2HG1 VAL 35 -3.148 1.936 -1.875 235 HG13 VAL 35 3HG1 VAL 35 -4.787 1.354 -1.586 236 HG21 VAL 35 3HG2 VAL 35 -3.700 4.203 -1.252 237 HG22 VAL 35 1HG2 VAL 35 -4.374 4.575 0.337 238 HG23 VAL 35 2HG2 VAL 35 -5.385 3.810 -0.890 239 H ILE 36 H ILE 36 -6.365 0.056 0.243 240 HA ILE 36 HA ILE 36 -4.625 -1.928 1.530 241 HB ILE 36 HB ILE 36 -7.630 -1.826 1.754 242 HG12 ILE 36 2HG1 ILE 36 -5.709 -1.861 4.047 243 HG13 ILE 36 1HG1 ILE 36 -5.995 -0.352 3.192 244 HG21 ILE 36 1HG2 ILE 36 -6.994 -4.121 1.542 245 HG22 ILE 36 2HG2 ILE 36 -7.312 -3.811 3.251 246 HG23 ILE 36 3HG2 ILE 36 -5.651 -3.912 2.667 247 HD11 ILE 36 3HD1 ILE 36 -8.002 -2.030 4.651 248 HD12 ILE 36 1HD1 ILE 36 -8.413 -0.638 3.649 249 HD13 ILE 36 2HD1 ILE 36 -7.410 -0.425 5.084 250 H GLY 37 H GLY 37 -4.249 -3.730 0.418 251 HA2 GLY 37 2HA GLY 37 -5.502 -3.972 -2.215 252 HA3 GLY 37 1HA GLY 37 -4.000 -4.729 -1.721 253 H PHE 38 H PHE 38 -7.404 -5.054 -1.961 254 HA PHE 38 HA PHE 38 -7.559 -7.431 -0.306 255 HB2 PHE 38 2HB PHE 38 -9.630 -6.237 -2.162 256 HB3 PHE 38 1HB PHE 38 -9.911 -7.463 -0.928 257 HD1 PHE 38 2HD PHE 38 -8.641 -3.981 -1.303 258 HD2 PHE 38 1HD PHE 38 -10.632 -6.820 1.162 259 HE1 PHE 38 2HE PHE 38 -9.100 -2.222 0.350 260 HE2 PHE 38 1HE PHE 38 -11.094 -5.060 2.817 261 HZ PHE 38 HZ PHE 38 -10.327 -2.759 2.413 262 H PHE 39 H PHE 39 -6.221 -8.931 -1.251 263 HA PHE 39 HA PHE 39 -6.881 -9.735 -4.007 264 HB2 PHE 39 2HB PHE 39 -4.303 -10.296 -2.548 265 HB3 PHE 39 1HB PHE 39 -4.629 -10.486 -4.269 266 HD1 PHE 39 1HD PHE 39 -5.921 -7.961 -4.957 267 HD2 PHE 39 2HD PHE 39 -2.619 -8.726 -2.384 268 HE1 PHE 39 1HE PHE 39 -5.077 -5.689 -5.372 269 HE2 PHE 39 2HE PHE 39 -1.771 -6.452 -2.792 270 HZ PHE 39 HZ PHE 39 -3.001 -4.931 -4.289 271 H GLN 40 H GLN 40 -7.269 -11.848 -4.484 272 HA GLN 40 HA GLN 40 -7.781 -13.628 -2.236 273 HB2 GLN 40 2HB GLN 40 -8.340 -13.941 -5.197 274 HB3 GLN 40 1HB GLN 40 -8.799 -15.106 -3.963 275 HG2 GLN 40 2HG GLN 40 -10.224 -13.412 -2.911 276 HG3 GLN 40 1HG GLN 40 -9.784 -12.270 -4.179 277 HE21 GLN 40 1HE2 GLN 40 -11.903 -12.049 -4.869 278 HE22 GLN 40 2HE2 GLN 40 -12.729 -13.292 -5.739 279 H ASP 41 H ASP 41 -5.334 -12.840 -4.300 280 HA ASP 41 HA ASP 41 -3.802 -15.216 -3.618 281 HB2 ASP 41 2HB ASP 41 -4.839 -15.667 -5.854 282 HB3 ASP 41 1HB ASP 41 -4.026 -14.230 -6.477 283 H LEU 42 H LEU 42 -1.960 -14.475 -2.762 284 HA LEU 42 HA LEU 42 -1.124 -11.761 -3.354 285 HB2 LEU 42 2HB LEU 42 -0.061 -13.770 -1.373 286 HB3 LEU 42 1HB LEU 42 0.520 -12.124 -1.534 287 HG LEU 42 HG LEU 42 -2.271 -12.937 -0.724 288 HD11 LEU 42 1HD1 LEU 42 -0.593 -13.371 1.001 289 HD12 LEU 42 2HD1 LEU 42 -1.660 -12.044 1.459 290 HD13 LEU 42 3HD1 LEU 42 -0.030 -11.704 0.876 291 HD21 LEU 42 3HD2 LEU 42 -2.539 -10.518 -0.225 292 HD22 LEU 42 1HD2 LEU 42 -2.355 -10.865 -1.945 293 HD23 LEU 42 2HD2 LEU 42 -0.995 -10.220 -1.024 294 H GLU 43 H GLU 43 -0.850 -13.328 -5.557 295 HA GLU 43 HA GLU 43 2.070 -13.379 -5.862 296 HB2 GLU 43 2HB GLU 43 0.173 -15.440 -7.001 297 HB3 GLU 43 1HB GLU 43 1.902 -15.363 -7.302 298 HG2 GLU 43 2HG GLU 43 2.265 -15.686 -4.865 299 HG3 GLU 43 1HG GLU 43 0.528 -15.944 -4.697 300 H ILE 44 H ILE 44 -0.589 -11.847 -6.643 301 HA ILE 44 HA ILE 44 -0.270 -11.676 -9.528 302 HB ILE 44 HB ILE 44 -2.059 -9.857 -9.249 303 HG12 ILE 44 2HG1 ILE 44 -2.518 -11.162 -6.589 304 HG13 ILE 44 1HG1 ILE 44 -1.507 -9.732 -6.735 305 HG21 ILE 44 1HG2 ILE 44 -2.468 -12.149 -10.062 306 HG22 ILE 44 2HG2 ILE 44 -3.832 -11.492 -9.158 307 HG23 ILE 44 3HG2 ILE 44 -2.757 -12.667 -8.396 308 HD11 ILE 44 3HD1 ILE 44 -3.570 -8.883 -6.177 309 HD12 ILE 44 1HD1 ILE 44 -4.433 -10.026 -7.209 310 HD13 ILE 44 2HD1 ILE 44 -3.523 -8.697 -7.930 311 HA PRO 45 HA PRO 45 2.341 -8.126 -9.879 312 HB2 PRO 45 2HB PRO 45 0.136 -6.805 -11.390 313 HB3 PRO 45 1HB PRO 45 1.824 -7.038 -11.847 314 HG2 PRO 45 2HG PRO 45 -0.074 -8.535 -12.940 315 HG3 PRO 45 1HG PRO 45 1.481 -9.255 -12.476 316 HD2 PRO 45 2HD PRO 45 -1.170 -9.419 -11.101 317 HD3 PRO 45 1HD PRO 45 0.084 -10.662 -11.285 318 H ALA 46 H ALA 46 -0.969 -7.665 -8.863 319 HA ALA 46 HA ALA 46 -0.815 -4.968 -8.072 320 HB1 ALA 46 1HB ALA 46 -2.882 -5.325 -6.964 321 HB2 ALA 46 2HB ALA 46 -2.584 -7.061 -6.841 322 HB3 ALA 46 3HB ALA 46 -2.895 -6.330 -8.415 323 H VAL 47 H VAL 47 -0.098 -7.962 -6.319 324 HA VAL 47 HA VAL 47 0.067 -6.852 -3.759 325 HB VAL 47 HB VAL 47 1.869 -9.111 -4.553 326 HG11 VAL 47 1HG1 VAL 47 1.242 -9.937 -2.323 327 HG12 VAL 47 2HG1 VAL 47 0.232 -8.509 -2.093 328 HG13 VAL 47 3HG1 VAL 47 1.979 -8.337 -2.261 329 HG21 VAL 47 3HG2 VAL 47 -1.117 -9.272 -4.172 330 HG22 VAL 47 1HG2 VAL 47 -0.023 -10.649 -4.305 331 HG23 VAL 47 2HG2 VAL 47 -0.237 -9.558 -5.673 332 HA PRO 48 HA PRO 48 4.882 -6.306 -4.483 333 HB2 PRO 48 2HB PRO 48 4.922 -6.045 -7.442 334 HB3 PRO 48 1HB PRO 48 6.079 -6.844 -6.367 335 HG2 PRO 48 2HG PRO 48 4.424 -8.268 -7.887 336 HG3 PRO 48 1HG PRO 48 4.814 -8.783 -6.233 337 HD2 PRO 48 2HD PRO 48 2.357 -7.430 -7.268 338 HD3 PRO 48 1HD PRO 48 2.505 -8.735 -6.080 339 H ILE 49 H ILE 49 2.703 -4.963 -6.916 340 HA ILE 49 HA ILE 49 3.824 -2.403 -7.068 341 HB ILE 49 HB ILE 49 1.184 -3.577 -7.781 342 HG12 ILE 49 2HG1 ILE 49 2.970 -1.965 -9.547 343 HG13 ILE 49 1HG1 ILE 49 3.441 -3.600 -9.102 344 HG21 ILE 49 1HG2 ILE 49 0.718 -1.238 -8.814 345 HG22 ILE 49 2HG2 ILE 49 1.755 -0.673 -7.504 346 HG23 ILE 49 3HG2 ILE 49 0.284 -1.572 -7.140 347 HD11 ILE 49 3HD1 ILE 49 1.572 -4.534 -10.168 348 HD12 ILE 49 1HD1 ILE 49 2.217 -3.331 -11.283 349 HD13 ILE 49 2HD1 ILE 49 0.780 -2.965 -10.327 350 H LEU 50 H LEU 50 1.441 -3.782 -4.876 351 HA LEU 50 HA LEU 50 0.760 -1.268 -3.681 352 HB2 LEU 50 2HB LEU 50 -0.846 -3.052 -3.589 353 HB3 LEU 50 1HB LEU 50 0.300 -4.114 -2.804 354 HG LEU 50 HG LEU 50 0.282 -2.537 -0.842 355 HD11 LEU 50 1HD1 LEU 50 -1.576 -0.981 -0.640 356 HD12 LEU 50 2HD1 LEU 50 -2.098 -1.373 -2.279 357 HD13 LEU 50 3HD1 LEU 50 -0.554 -0.563 -2.016 358 HD21 LEU 50 3HD2 LEU 50 -2.457 -3.631 -1.440 359 HD22 LEU 50 1HD2 LEU 50 -1.639 -3.493 0.119 360 HD23 LEU 50 2HD2 LEU 50 -1.080 -4.673 -1.069 361 H HIS 51 H HIS 51 2.732 -4.054 -2.662 362 HA HIS 51 HA HIS 51 3.703 -3.016 -0.276 363 HB2 HIS 51 2HB HIS 51 4.930 -4.900 -2.287 364 HB3 HIS 51 1HB HIS 51 5.777 -4.449 -0.812 365 HD1 HIS 51 1HD HIS 51 2.236 -5.676 -1.544 366 HD2 HIS 51 2HD HIS 51 5.431 -6.384 1.019 367 HE1 HIS 51 1HE HIS 51 1.484 -7.535 -0.026 368 HE2 HIS 51 2HE HIS 51 3.410 -7.906 1.553 369 H SER 52 H SER 52 4.448 -2.238 -3.558 370 HA SER 52 HA SER 52 6.897 -0.834 -2.966 371 HB2 SER 52 2HB SER 52 6.614 -1.922 -5.143 372 HB3 SER 52 1HB SER 52 5.219 -0.900 -5.487 373 HG SER 52 HG SER 52 7.097 -0.067 -6.455 374 H MET 53 H MET 53 3.564 0.055 -3.849 375 HA MET 53 HA MET 53 3.943 2.832 -3.845 376 HB2 MET 53 2HB MET 53 1.647 3.033 -3.999 377 HB3 MET 53 1HB MET 53 1.890 1.400 -4.595 378 HG2 MET 53 2HG MET 53 0.086 1.181 -3.177 379 HG3 MET 53 1HG MET 53 1.439 0.672 -2.177 380 HE1 MET 53 3HE MET 53 -1.180 1.272 -0.710 381 HE2 MET 53 1HE MET 53 -0.658 2.358 0.578 382 HE3 MET 53 2HE MET 53 0.340 0.974 0.133 383 H VAL 54 H VAL 54 3.637 0.515 -1.322 384 HA VAL 54 HA VAL 54 2.806 2.021 0.839 385 HB VAL 54 HB VAL 54 4.773 -0.247 0.692 386 HG11 VAL 54 1HG1 VAL 54 5.310 0.989 2.684 387 HG12 VAL 54 2HG1 VAL 54 4.454 -0.489 3.130 388 HG13 VAL 54 3HG1 VAL 54 3.609 1.057 3.139 389 HG21 VAL 54 3HG2 VAL 54 2.755 -1.190 0.198 390 HG22 VAL 54 1HG2 VAL 54 1.848 0.012 1.115 391 HG23 VAL 54 2HG2 VAL 54 2.705 -1.277 1.958 392 H GLN 55 H GLN 55 6.114 1.570 -0.376 393 HA GLN 55 HA GLN 55 7.239 3.367 1.550 394 HB2 GLN 55 2HB GLN 55 8.573 2.496 -0.987 395 HB3 GLN 55 1HB GLN 55 9.301 2.890 0.566 396 HG2 GLN 55 2HG GLN 55 8.458 0.859 1.532 397 HG3 GLN 55 1HG GLN 55 7.563 0.488 0.059 398 HE21 GLN 55 1HE2 GLN 55 9.575 -1.097 1.411 399 HE22 GLN 55 2HE2 GLN 55 10.846 -1.352 0.271 400 H LYS 56 H LYS 56 5.490 3.785 -1.258 401 HA LYS 56 HA LYS 56 6.790 6.291 -2.015 402 HB2 LYS 56 2HB LYS 56 4.454 4.826 -3.257 403 HB3 LYS 56 1HB LYS 56 5.199 6.283 -3.898 404 HG2 LYS 56 2HG LYS 56 7.280 5.087 -4.254 405 HG3 LYS 56 1HG LYS 56 6.572 3.623 -3.568 406 HD2 LYS 56 2HD LYS 56 6.434 3.376 -5.914 407 HD3 LYS 56 1HD LYS 56 4.805 3.803 -5.377 408 HE2 LYS 56 2HE LYS 56 5.261 5.107 -7.310 409 HE3 LYS 56 1HE LYS 56 5.363 6.186 -5.918 410 HZ1 LYS 56 3HZ LYS 56 7.766 5.995 -5.981 411 HZ2 LYS 56 1HZ LYS 56 7.179 6.560 -7.464 412 HZ3 LYS 56 2HZ LYS 56 7.677 4.951 -7.311 413 H PHE 57 H PHE 57 4.180 5.077 -0.191 414 HA PHE 57 HA PHE 57 3.193 7.805 0.242 415 HB2 PHE 57 2HB PHE 57 1.574 5.353 -0.389 416 HB3 PHE 57 1HB PHE 57 0.872 6.746 0.429 417 HD1 PHE 57 1HD PHE 57 0.609 8.867 -0.731 418 HD2 PHE 57 2HD PHE 57 2.159 5.436 -2.714 419 HE1 PHE 57 1HE PHE 57 0.218 9.953 -2.905 420 HE2 PHE 57 2HE PHE 57 1.770 6.515 -4.890 421 HZ PHE 57 HZ PHE 57 0.800 8.775 -4.988 422 HA PRO 58 HA PRO 58 4.325 5.408 4.198 423 HB2 PRO 58 2HB PRO 58 5.393 7.750 5.285 424 HB3 PRO 58 1HB PRO 58 6.325 6.436 4.561 425 HG2 PRO 58 2HG PRO 58 5.418 9.013 3.345 426 HG3 PRO 58 1HG PRO 58 6.964 8.162 3.148 427 HD2 PRO 58 2HD PRO 58 5.122 8.048 1.236 428 HD3 PRO 58 1HD PRO 58 6.045 6.596 1.673 429 H GLY 59 H GLY 59 3.113 8.696 3.618 430 HA2 GLY 59 2HA GLY 59 1.757 9.052 6.042 431 HA3 GLY 59 1HA GLY 59 1.347 9.845 4.527 432 H VAL 60 H VAL 60 0.698 7.639 2.982 433 HA VAL 60 HA VAL 60 -1.986 7.167 3.732 434 HB VAL 60 HB VAL 60 -0.185 6.028 1.608 435 HG11 VAL 60 1HG1 VAL 60 -1.620 4.174 2.305 436 HG12 VAL 60 2HG1 VAL 60 -2.083 4.761 0.708 437 HG13 VAL 60 3HG1 VAL 60 -3.046 5.196 2.121 438 HG21 VAL 60 3HG2 VAL 60 -2.674 7.730 1.582 439 HG22 VAL 60 1HG2 VAL 60 -1.867 7.118 0.137 440 HG23 VAL 60 2HG2 VAL 60 -1.026 8.238 1.208 441 H SER 61 H SER 61 -2.984 5.306 4.550 442 HA SER 61 HA SER 61 -1.272 3.691 6.228 443 HB2 SER 61 2HB SER 61 -3.448 4.558 7.051 444 HB3 SER 61 1HB SER 61 -4.268 3.536 5.873 445 HG SER 61 HG SER 61 -2.747 2.763 8.120 446 H PHE 62 H PHE 62 -0.121 2.303 5.006 447 HA PHE 62 HA PHE 62 -1.108 0.846 2.806 448 HB2 PHE 62 2HB PHE 62 0.933 -0.668 3.395 449 HB3 PHE 62 1HB PHE 62 1.209 0.985 2.854 450 HD1 PHE 62 2HD PHE 62 1.196 -1.243 5.783 451 HD2 PHE 62 1HD PHE 62 2.152 2.628 4.299 452 HE1 PHE 62 2HE PHE 62 2.468 -0.775 7.836 453 HE2 PHE 62 1HE PHE 62 3.426 3.103 6.349 454 HZ PHE 62 HZ PHE 62 3.584 1.401 8.121 455 H GLY 63 H GLY 63 -2.268 -0.953 2.672 456 HA2 GLY 63 2HA GLY 63 -2.328 -2.824 4.912 457 HA3 GLY 63 1HA GLY 63 -3.855 -2.083 4.453 458 H ILE 64 H ILE 64 -3.451 -4.837 4.387 459 HA ILE 64 HA ILE 64 -4.161 -5.368 1.661 460 HB ILE 64 HB ILE 64 -1.537 -5.428 1.920 461 HG12 ILE 64 2HG1 ILE 64 -3.094 -7.566 0.465 462 HG13 ILE 64 1HG1 ILE 64 -2.786 -5.939 -0.124 463 HG21 ILE 64 1HG2 ILE 64 -1.505 -6.992 3.799 464 HG22 ILE 64 2HG2 ILE 64 -0.669 -7.651 2.394 465 HG23 ILE 64 3HG2 ILE 64 -2.289 -8.210 2.796 466 HD11 ILE 64 3HD1 ILE 64 -1.282 -7.465 -1.194 467 HD12 ILE 64 1HD1 ILE 64 -0.752 -8.101 0.363 468 HD13 ILE 64 2HD1 ILE 64 -0.364 -6.440 -0.090 469 H SER 65 H SER 65 -5.324 -7.272 1.455 470 HA SER 65 HA SER 65 -5.478 -9.048 3.765 471 HB2 SER 65 2HB SER 65 -7.165 -7.411 4.307 472 HB3 SER 65 1HB SER 65 -7.850 -7.513 2.686 473 HG SER 65 HG SER 65 -8.844 -8.774 4.526 474 H THR 66 H THR 66 -6.555 -11.032 3.370 475 HA THR 66 HA THR 66 -7.141 -11.665 0.574 476 HB THR 66 HB THR 66 -5.872 -13.768 0.712 477 HG1 THR 66 1HG THR 66 -4.623 -12.780 3.052 478 HG21 THR 66 3HG2 THR 66 -4.853 -11.665 -0.196 479 HG22 THR 66 1HG2 THR 66 -3.692 -12.851 0.403 480 HG23 THR 66 2HG2 THR 66 -4.087 -11.436 1.377 481 H ASP 67 H ASP 67 -8.270 -11.518 3.552 482 HA ASP 67 HA ASP 67 -9.428 -14.112 3.911 483 HB2 ASP 67 2HB ASP 67 -8.951 -12.639 5.821 484 HB3 ASP 67 1HB ASP 67 -10.113 -11.465 5.212 485 H SER 68 H SER 68 -11.539 -14.756 3.559 486 HA SER 68 HA SER 68 -12.831 -13.669 1.296 487 HB2 SER 68 2HB SER 68 -14.617 -15.305 1.789 488 HB3 SER 68 1HB SER 68 -13.016 -16.039 1.881 489 HG SER 68 HG SER 68 -13.153 -15.693 4.189 490 H GLU 69 H GLU 69 -13.839 -13.727 4.718 491 HA GLU 69 HA GLU 69 -16.195 -12.335 4.540 492 HB2 GLU 69 2HB GLU 69 -14.168 -12.035 6.754 493 HB3 GLU 69 1HB GLU 69 -15.895 -11.719 6.860 494 HG2 GLU 69 2HG GLU 69 -16.369 -14.072 6.473 495 HG3 GLU 69 1HG GLU 69 -14.645 -14.403 6.322 496 H VAL 70 H VAL 70 -12.924 -10.993 4.664 497 HA VAL 70 HA VAL 70 -13.812 -8.291 4.796 498 HB VAL 70 HB VAL 70 -11.133 -9.458 4.034 499 HG11 VAL 70 1HG1 VAL 70 -11.953 -6.580 4.356 500 HG12 VAL 70 2HG1 VAL 70 -11.260 -7.352 2.927 501 HG13 VAL 70 3HG1 VAL 70 -10.277 -7.129 4.376 502 HG21 VAL 70 3HG2 VAL 70 -11.883 -9.730 6.394 503 HG22 VAL 70 1HG2 VAL 70 -11.956 -7.972 6.521 504 HG23 VAL 70 2HG2 VAL 70 -10.414 -8.770 6.216 505 H LEU 71 H LEU 71 -12.351 -10.208 2.177 506 HA LEU 71 HA LEU 71 -12.655 -8.316 0.146 507 HB2 LEU 71 2HB LEU 71 -12.326 -11.277 0.223 508 HB3 LEU 71 1HB LEU 71 -12.780 -10.529 -1.297 509 HG LEU 71 HG LEU 71 -10.769 -9.267 -1.391 510 HD11 LEU 71 1HD1 LEU 71 -10.638 -8.607 0.950 511 HD12 LEU 71 2HD1 LEU 71 -9.101 -9.262 0.385 512 HD13 LEU 71 3HD1 LEU 71 -10.161 -10.246 1.393 513 HD21 LEU 71 3HD2 LEU 71 -10.276 -12.096 -0.494 514 HD22 LEU 71 1HD2 LEU 71 -9.027 -11.059 -1.190 515 HD23 LEU 71 2HD2 LEU 71 -10.445 -11.495 -2.144 516 H THR 72 H THR 72 -14.990 -10.113 1.812 517 HA THR 72 HA THR 72 -16.978 -10.030 -0.306 518 HB THR 72 HB THR 72 -17.219 -10.895 2.582 519 HG1 THR 72 1HG THR 72 -16.126 -12.113 0.500 520 HG21 THR 72 3HG2 THR 72 -19.378 -10.219 1.814 521 HG22 THR 72 1HG2 THR 72 -19.336 -11.981 1.739 522 HG23 THR 72 2HG2 THR 72 -19.150 -11.027 0.264 523 H HIS 73 H HIS 73 -16.473 -8.639 2.914 524 HA HIS 73 HA HIS 73 -18.763 -7.046 3.006 525 HB2 HIS 73 2HB HIS 73 -16.235 -7.253 4.469 526 HB3 HIS 73 1HB HIS 73 -16.901 -5.621 4.452 527 HD1 HIS 73 1HD HIS 73 -17.418 -9.000 5.882 528 HD2 HIS 73 2HD HIS 73 -19.417 -5.359 5.756 529 HE1 HIS 73 1HE HIS 73 -19.212 -9.156 7.638 530 HE2 HIS 73 2HE HIS 73 -20.467 -6.978 7.479 531 H TYR 74 H TYR 74 -15.630 -6.522 1.522 532 HA TYR 74 HA TYR 74 -16.354 -3.796 0.768 533 HB2 TYR 74 2HB TYR 74 -13.828 -5.416 0.498 534 HB3 TYR 74 1HB TYR 74 -14.028 -3.866 -0.310 535 HD1 TYR 74 2HD TYR 74 -14.147 -5.455 3.056 536 HD2 TYR 74 1HD TYR 74 -13.526 -1.888 0.822 537 HE1 TYR 74 2HE TYR 74 -13.421 -4.306 5.104 538 HE2 TYR 74 1HE TYR 74 -12.800 -0.728 2.864 539 HH TYR 74 HH TYR 74 -12.087 -2.379 5.761 540 H ASN 75 H ASN 75 -17.285 -6.617 -0.299 541 HA ASN 75 HA ASN 75 -18.076 -7.477 -2.242 542 HB2 ASN 75 2HB ASN 75 -17.997 -4.550 -2.974 543 HB3 ASN 75 1HB ASN 75 -18.716 -5.789 -4.002 544 HD21 ASN 75 1HD2 ASN 75 -18.982 -4.019 -1.025 545 HD22 ASN 75 2HD2 ASN 75 -20.619 -4.449 -0.680 546 H ILE 76 H ILE 76 -15.121 -7.116 -1.853 547 HA ILE 76 HA ILE 76 -13.840 -6.542 -4.282 548 HB ILE 76 HB ILE 76 -12.920 -8.533 -2.210 549 HG12 ILE 76 2HG1 ILE 76 -13.520 -6.403 -1.155 550 HG13 ILE 76 1HG1 ILE 76 -11.782 -6.657 -1.125 551 HG21 ILE 76 1HG2 ILE 76 -11.325 -6.833 -4.109 552 HG22 ILE 76 2HG2 ILE 76 -11.699 -8.535 -4.355 553 HG23 ILE 76 3HG2 ILE 76 -10.698 -8.041 -2.988 554 HD11 ILE 76 3HD1 ILE 76 -13.246 -4.901 -3.083 555 HD12 ILE 76 1HD1 ILE 76 -11.499 -5.111 -2.969 556 HD13 ILE 76 2HD1 ILE 76 -12.382 -4.343 -1.650 557 H THR 77 H THR 77 -13.931 -7.562 -6.168 558 HA THR 77 HA THR 77 -14.153 -10.480 -6.216 559 HB THR 77 HB THR 77 -15.818 -10.342 -8.080 560 HG1 THR 77 1HG THR 77 -15.380 -8.016 -8.442 561 HG21 THR 77 3HG2 THR 77 -16.543 -10.932 -5.846 562 HG22 THR 77 1HG2 THR 77 -17.756 -9.911 -6.619 563 HG23 THR 77 2HG2 THR 77 -16.670 -9.228 -5.409 564 H GLY 78 H GLY 78 -11.790 -9.532 -6.642 565 HA2 GLY 78 2HA GLY 78 -10.823 -10.402 -8.981 566 HA3 GLY 78 1HA GLY 78 -11.378 -8.794 -9.425 567 H ASN 79 H ASN 79 -9.856 -9.891 -6.411 568 HA ASN 79 HA ASN 79 -8.058 -9.091 -5.267 569 HB2 ASN 79 2HB ASN 79 -6.876 -8.796 -8.031 570 HB3 ASN 79 1HB ASN 79 -5.988 -8.960 -6.521 571 HD21 ASN 79 1HD2 ASN 79 -5.813 -10.600 -8.872 572 HD22 ASN 79 2HD2 ASN 79 -6.240 -12.205 -8.398 573 H THR 80 H THR 80 -10.009 -7.229 -5.687 574 HA THR 80 HA THR 80 -9.146 -4.800 -6.849 575 HB THR 80 HB THR 80 -11.274 -5.337 -4.761 576 HG1 THR 80 1HG THR 80 -11.130 -5.717 -7.465 577 HG21 THR 80 3HG2 THR 80 -10.868 -2.904 -6.505 578 HG22 THR 80 1HG2 THR 80 -10.662 -2.975 -4.756 579 HG23 THR 80 2HG2 THR 80 -12.260 -3.199 -5.465 580 H ILE 81 H ILE 81 -8.621 -2.825 -5.828 581 HA ILE 81 HA ILE 81 -7.421 -3.040 -3.138 582 HB ILE 81 HB ILE 81 -6.484 -1.409 -5.508 583 HG12 ILE 81 2HG1 ILE 81 -5.148 -3.607 -3.916 584 HG13 ILE 81 1HG1 ILE 81 -5.787 -3.762 -5.546 585 HG21 ILE 81 1HG2 ILE 81 -5.442 -1.385 -2.677 586 HG22 ILE 81 2HG2 ILE 81 -6.335 -0.084 -3.463 587 HG23 ILE 81 3HG2 ILE 81 -4.731 -0.534 -4.048 588 HD11 ILE 81 3HD1 ILE 81 -4.145 -2.034 -6.267 589 HD12 ILE 81 1HD1 ILE 81 -3.430 -3.540 -5.690 590 HD13 ILE 81 2HD1 ILE 81 -3.442 -2.116 -4.650 591 H CYS 82 H CYS 82 -8.529 -1.848 -1.693 592 HA CYS 82 HA CYS 82 -10.109 0.388 -2.741 593 HB2 CYS 82 2HB CYS 82 -10.462 -1.178 -0.194 594 HB3 CYS 82 1HB CYS 82 -11.474 0.172 -0.695 595 HG CYS 82 HG CYS 82 -12.825 -2.272 -1.097 596 H LEU 83 H LEU 83 -9.922 2.397 -2.043 597 HA LEU 83 HA LEU 83 -7.919 2.967 0.032 598 HB2 LEU 83 2HB LEU 83 -7.080 3.956 -1.868 599 HB3 LEU 83 1HB LEU 83 -8.661 4.298 -2.527 600 HG LEU 83 HG LEU 83 -8.939 6.196 -1.071 601 HD11 LEU 83 1HD1 LEU 83 -6.215 5.672 0.091 602 HD12 LEU 83 2HD1 LEU 83 -7.711 5.170 0.877 603 HD13 LEU 83 3HD1 LEU 83 -7.400 6.882 0.587 604 HD21 LEU 83 3HD2 LEU 83 -7.686 6.507 -3.159 605 HD22 LEU 83 1HD2 LEU 83 -6.181 6.231 -2.282 606 HD23 LEU 83 2HD2 LEU 83 -7.180 7.633 -1.901 607 H PHE 84 H PHE 84 -9.022 3.282 1.898 608 HA PHE 84 HA PHE 84 -11.525 4.796 1.831 609 HB2 PHE 84 2HB PHE 84 -11.158 2.552 3.109 610 HB3 PHE 84 1HB PHE 84 -10.364 3.563 4.311 611 HD1 PHE 84 2HD PHE 84 -11.716 5.552 5.233 612 HD2 PHE 84 1HD PHE 84 -13.454 2.282 3.135 613 HE1 PHE 84 2HE PHE 84 -13.906 6.090 6.215 614 HE2 PHE 84 1HE PHE 84 -15.648 2.817 4.113 615 HZ PHE 84 HZ PHE 84 -15.875 4.722 5.655 616 H ARG 85 H ARG 85 -11.549 6.900 2.322 617 HA ARG 85 HA ARG 85 -9.201 8.029 3.697 618 HB2 ARG 85 2HB ARG 85 -11.130 9.866 2.409 619 HB3 ARG 85 1HB ARG 85 -9.371 9.895 2.422 620 HG2 ARG 85 2HG ARG 85 -9.325 8.119 0.747 621 HG3 ARG 85 1HG ARG 85 -11.096 8.114 0.716 622 HD2 ARG 85 2HD ARG 85 -9.242 10.337 -0.121 623 HD3 ARG 85 1HD ARG 85 -10.339 9.407 -1.143 624 HE ARG 85 HE ARG 85 -11.809 10.716 0.870 625 HH11 ARG 85 1HH1 ARG 85 -10.018 11.380 -2.045 626 HH12 ARG 85 2HH1 ARG 85 -10.929 12.802 -2.434 627 HH21 ARG 85 1HH2 ARG 85 -13.013 12.590 0.362 628 HH22 ARG 85 2HH2 ARG 85 -12.628 13.490 -1.066 629 H LEU 86 H LEU 86 -9.971 7.428 5.754 630 HA LEU 86 HA LEU 86 -12.176 7.596 7.134 631 HB2 LEU 86 2HB LEU 86 -10.357 7.177 8.451 632 HB3 LEU 86 1HB LEU 86 -9.445 8.532 7.819 633 HG LEU 86 HG LEU 86 -10.909 10.063 9.140 634 HD11 LEU 86 1HD1 LEU 86 -12.843 8.591 9.366 635 HD12 LEU 86 2HD1 LEU 86 -12.255 9.117 10.942 636 HD13 LEU 86 3HD1 LEU 86 -11.894 7.490 10.366 637 HD21 LEU 86 3HD2 LEU 86 -9.376 7.965 10.668 638 HD22 LEU 86 1HD2 LEU 86 -9.864 9.537 11.303 639 HD23 LEU 86 2HD2 LEU 86 -8.723 9.444 9.961 640 H VAL 87 H VAL 87 -10.306 10.605 6.716 641 HA VAL 87 HA VAL 87 -11.928 12.409 7.911 642 HB VAL 87 HB VAL 87 -11.239 13.927 5.816 643 HG11 VAL 87 1HG1 VAL 87 -10.511 14.270 8.105 644 HG12 VAL 87 2HG1 VAL 87 -9.136 14.385 7.007 645 HG13 VAL 87 3HG1 VAL 87 -9.378 12.926 7.966 646 HG21 VAL 87 3HG2 VAL 87 -10.445 12.096 4.459 647 HG22 VAL 87 1HG2 VAL 87 -9.363 11.567 5.751 648 HG23 VAL 87 2HG2 VAL 87 -9.083 13.108 4.935 649 H ASP 88 H ASP 88 -12.232 11.547 4.456 650 HA ASP 88 HA ASP 88 -14.898 12.754 4.475 651 HB2 ASP 88 2HB ASP 88 -13.064 11.963 2.212 652 HB3 ASP 88 1HB ASP 88 -14.716 12.527 1.967 653 H ASN 89 H ASN 89 -13.880 9.969 5.368 654 HA ASN 89 HA ASN 89 -14.554 7.797 5.324 655 HB2 ASN 89 2HB ASN 89 -16.886 7.502 5.702 656 HB3 ASN 89 1HB ASN 89 -16.449 9.068 6.382 657 HD21 ASN 89 1HD2 ASN 89 -18.146 7.420 3.835 658 HD22 ASN 89 2HD2 ASN 89 -19.056 8.782 3.289 659 H GLU 90 H GLU 90 -13.879 8.992 2.656 660 HA GLU 90 HA GLU 90 -15.628 7.815 0.735 661 HB2 GLU 90 2HB GLU 90 -12.771 8.757 0.459 662 HB3 GLU 90 1HB GLU 90 -13.814 8.306 -0.880 663 HG2 GLU 90 2HG GLU 90 -14.334 10.549 1.046 664 HG3 GLU 90 1HG GLU 90 -13.651 10.727 -0.567 665 H GLN 91 H GLN 91 -15.069 6.088 -0.732 666 HA GLN 91 HA GLN 91 -13.065 4.193 0.220 667 HB2 GLN 91 2HB GLN 91 -15.261 3.634 1.309 668 HB3 GLN 91 1HB GLN 91 -15.918 3.343 -0.297 669 HG2 GLN 91 2HG GLN 91 -13.543 1.855 -0.134 670 HG3 GLN 91 1HG GLN 91 -14.399 1.601 1.385 671 HE21 GLN 91 1HE2 GLN 91 -14.905 -0.520 0.931 672 HE22 GLN 91 2HE2 GLN 91 -16.065 -0.970 -0.267 673 H LEU 92 H LEU 92 -11.956 4.760 -1.683 674 HA LEU 92 HA LEU 92 -13.131 4.495 -4.272 675 HB2 LEU 92 2HB LEU 92 -10.233 4.611 -3.424 676 HB3 LEU 92 1HB LEU 92 -10.787 4.683 -5.083 677 HG LEU 92 HG LEU 92 -10.263 6.900 -4.422 678 HD11 LEU 92 1HD1 LEU 92 -12.424 8.059 -4.580 679 HD12 LEU 92 2HD1 LEU 92 -13.247 6.520 -4.320 680 HD13 LEU 92 3HD1 LEU 92 -12.259 6.760 -5.762 681 HD21 LEU 92 3HD2 LEU 92 -10.960 7.979 -2.461 682 HD22 LEU 92 1HD2 LEU 92 -10.428 6.380 -1.947 683 HD23 LEU 92 2HD2 LEU 92 -12.150 6.732 -2.096 684 H ASN 93 H ASN 93 -12.786 2.832 -5.808 685 HA ASN 93 HA ASN 93 -11.702 0.333 -4.696 686 HB2 ASN 93 2HB ASN 93 -13.540 -0.753 -6.225 687 HB3 ASN 93 1HB ASN 93 -13.944 -0.196 -4.607 688 HD21 ASN 93 1HD2 ASN 93 -15.153 1.692 -4.359 689 HD22 ASN 93 2HD2 ASN 93 -16.068 2.365 -5.661 690 H LEU 94 H LEU 94 -10.014 -0.232 -5.790 691 HA LEU 94 HA LEU 94 -9.825 0.298 -8.671 692 HB2 LEU 94 2HB LEU 94 -8.010 0.960 -6.916 693 HB3 LEU 94 1HB LEU 94 -7.612 -0.746 -6.916 694 HG LEU 94 HG LEU 94 -7.696 0.621 -9.548 695 HD11 LEU 94 1HD1 LEU 94 -6.520 2.270 -8.234 696 HD12 LEU 94 2HD1 LEU 94 -5.362 1.388 -9.229 697 HD13 LEU 94 3HD1 LEU 94 -5.507 1.020 -7.510 698 HD21 LEU 94 3HD2 LEU 94 -7.229 -1.784 -9.294 699 HD22 LEU 94 1HD2 LEU 94 -5.822 -1.390 -8.309 700 HD23 LEU 94 2HD2 LEU 94 -5.878 -0.905 -10.005 701 H GLU 95 H GLU 95 -11.390 -1.401 -9.020 702 HA GLU 95 HA GLU 95 -10.864 -4.079 -8.174 703 HB2 GLU 95 2HB GLU 95 -12.835 -3.148 -10.251 704 HB3 GLU 95 1HB GLU 95 -12.859 -4.666 -9.361 705 HG2 GLU 95 2HG GLU 95 -13.376 -3.568 -7.328 706 HG3 GLU 95 1HG GLU 95 -13.082 -1.980 -8.036 707 H ASP 96 H ASP 96 -11.596 -5.610 -10.290 708 HA ASP 96 HA ASP 96 -9.213 -6.286 -11.484 709 HB2 ASP 96 2HB ASP 96 -11.098 -7.805 -11.402 710 HB3 ASP 96 1HB ASP 96 -12.018 -6.773 -12.493 711 H GLU 97 H GLU 97 -11.697 -4.088 -12.717 712 HA GLU 97 HA GLU 97 -10.769 -3.776 -15.321 713 HB2 GLU 97 2HB GLU 97 -12.899 -2.840 -14.423 714 HB3 GLU 97 1HB GLU 97 -11.966 -1.618 -13.572 715 HG2 GLU 97 2HG GLU 97 -11.179 -0.704 -15.662 716 HG3 GLU 97 1HG GLU 97 -11.997 -1.983 -16.560 717 H ASP 98 H ASP 98 -9.290 -2.945 -12.412 718 HA ASP 98 HA ASP 98 -7.279 -1.335 -13.820 719 HB2 ASP 98 2HB ASP 98 -8.365 -0.894 -11.025 720 HB3 ASP 98 1HB ASP 98 -6.967 -0.056 -11.698 721 H ILE 99 H ILE 99 -7.948 -4.053 -11.908 722 HA ILE 99 HA ILE 99 -5.291 -4.241 -10.740 723 HB ILE 99 HB ILE 99 -7.708 -6.042 -10.548 724 HG12 ILE 99 2HG1 ILE 99 -7.693 -3.832 -9.364 725 HG13 ILE 99 1HG1 ILE 99 -7.911 -5.233 -8.325 726 HG21 ILE 99 1HG2 ILE 99 -5.844 -7.510 -10.389 727 HG22 ILE 99 2HG2 ILE 99 -6.406 -7.204 -8.743 728 HG23 ILE 99 3HG2 ILE 99 -4.968 -6.384 -9.350 729 HD11 ILE 99 3HD1 ILE 99 -5.369 -3.670 -8.707 730 HD12 ILE 99 1HD1 ILE 99 -5.548 -5.100 -7.689 731 HD13 ILE 99 2HD1 ILE 99 -6.434 -3.626 -7.301 732 H GLU 100 H GLU 100 -7.017 -5.421 -13.504 733 HA GLU 100 HA GLU 100 -5.680 -7.783 -14.071 734 HB2 GLU 100 2HB GLU 100 -6.843 -5.662 -15.863 735 HB3 GLU 100 1HB GLU 100 -6.070 -7.096 -16.527 736 HG2 GLU 100 2HG GLU 100 -7.663 -8.482 -15.213 737 HG3 GLU 100 1HG GLU 100 -8.491 -6.997 -14.749 738 H SER 101 H SER 101 -4.904 -4.644 -15.566 739 HA SER 101 HA SER 101 -2.121 -5.547 -15.828 740 HB2 SER 101 2HB SER 101 -3.229 -4.953 -17.940 741 HB3 SER 101 1HB SER 101 -3.585 -3.346 -17.306 742 HG SER 101 HG SER 101 -1.719 -3.270 -18.565 743 H ILE 102 H ILE 102 -3.172 -4.551 -13.348 744 HA ILE 102 HA ILE 102 -2.708 -1.880 -12.816 745 HB ILE 102 HB ILE 102 -3.710 -3.396 -11.177 746 HG12 ILE 102 2HG1 ILE 102 -2.364 -2.599 -9.171 747 HG13 ILE 102 1HG1 ILE 102 -1.217 -1.923 -10.321 748 HG21 ILE 102 1HG2 ILE 102 -2.182 -4.831 -9.803 749 HG22 ILE 102 2HG2 ILE 102 -0.924 -4.545 -11.005 750 HG23 ILE 102 3HG2 ILE 102 -2.409 -5.379 -11.463 751 HD11 ILE 102 3HD1 ILE 102 -2.772 -0.244 -9.495 752 HD12 ILE 102 1HD1 ILE 102 -4.120 -1.185 -10.128 753 HD13 ILE 102 2HD1 ILE 102 -2.939 -0.487 -11.233 754 H ASP 103 H ASP 103 -0.959 -0.659 -12.274 755 HA ASP 103 HA ASP 103 1.685 -1.927 -12.265 756 HB2 ASP 103 2HB ASP 103 1.002 0.580 -13.812 757 HB3 ASP 103 1HB ASP 103 2.603 -0.132 -13.652 758 H ALA 104 H ALA 104 3.284 -0.765 -11.053 759 HA ALA 104 HA ALA 104 2.430 0.345 -8.687 760 HB1 ALA 104 1HB ALA 104 4.713 1.242 -8.427 761 HB2 ALA 104 2HB ALA 104 5.037 0.824 -10.112 762 HB3 ALA 104 3HB ALA 104 4.675 -0.445 -8.939 763 H THR 105 H THR 105 3.043 1.916 -11.747 764 HA THR 105 HA THR 105 2.912 4.592 -10.889 765 HB THR 105 HB THR 105 2.130 3.401 -13.558 766 HG1 THR 105 1HG THR 105 4.548 4.266 -12.411 767 HG21 THR 105 3HG2 THR 105 2.620 6.250 -12.716 768 HG22 THR 105 1HG2 THR 105 1.122 5.561 -13.344 769 HG23 THR 105 2HG2 THR 105 2.532 5.714 -14.395 770 H LYS 106 H LYS 106 0.433 2.395 -12.154 771 HA LYS 106 HA LYS 106 -1.727 4.167 -12.077 772 HB2 LYS 106 2HB LYS 106 -1.742 1.161 -11.723 773 HB3 LYS 106 1HB LYS 106 -3.139 2.152 -12.124 774 HG2 LYS 106 2HG LYS 106 -2.135 2.775 -14.236 775 HG3 LYS 106 1HG LYS 106 -0.672 1.876 -13.827 776 HD2 LYS 106 2HD LYS 106 -1.992 0.519 -15.300 777 HD3 LYS 106 1HD LYS 106 -2.066 -0.190 -13.686 778 HE2 LYS 106 2HE LYS 106 -4.242 0.889 -13.325 779 HE3 LYS 106 1HE LYS 106 -4.166 1.570 -14.949 780 HZ1 LYS 106 3HZ LYS 106 -4.158 -0.667 -15.852 781 HZ2 LYS 106 1HZ LYS 106 -5.522 -0.429 -14.881 782 HZ3 LYS 106 2HZ LYS 106 -4.213 -1.327 -14.296 783 H LEU 107 H LEU 107 -0.979 1.574 -9.715 784 HA LEU 107 HA LEU 107 -2.878 2.185 -7.821 785 HB2 LEU 107 2HB LEU 107 -0.717 0.478 -7.952 786 HB3 LEU 107 1HB LEU 107 -0.265 1.550 -6.644 787 HG LEU 107 HG LEU 107 -2.472 -0.454 -6.775 788 HD11 LEU 107 1HD1 LEU 107 -0.371 0.357 -4.782 789 HD12 LEU 107 2HD1 LEU 107 -0.521 -1.167 -5.658 790 HD13 LEU 107 3HD1 LEU 107 -1.679 -0.762 -4.393 791 HD21 LEU 107 3HD2 LEU 107 -3.532 0.589 -4.788 792 HD22 LEU 107 1HD2 LEU 107 -3.717 1.544 -6.259 793 HD23 LEU 107 2HD2 LEU 107 -2.531 2.018 -5.045 794 H SER 108 H SER 108 0.480 3.378 -7.886 795 HA SER 108 HA SER 108 0.272 5.159 -5.749 796 HB2 SER 108 2HB SER 108 2.031 5.340 -8.204 797 HB3 SER 108 1HB SER 108 2.267 6.256 -6.717 798 HG SER 108 HG SER 108 3.105 4.551 -5.809 799 H ARG 109 H ARG 109 -0.687 5.474 -9.086 800 HA ARG 109 HA ARG 109 -1.002 8.290 -9.096 801 HB2 ARG 109 2HB ARG 109 -0.771 6.893 -11.149 802 HB3 ARG 109 1HB ARG 109 -2.362 6.226 -10.837 803 HG2 ARG 109 2HG ARG 109 -1.976 9.178 -11.143 804 HG3 ARG 109 1HG ARG 109 -2.126 8.124 -12.552 805 HD2 ARG 109 2HD ARG 109 -4.251 7.243 -11.477 806 HD3 ARG 109 1HD ARG 109 -4.127 8.605 -10.357 807 HE ARG 109 HE ARG 109 -3.949 9.653 -12.918 808 HH11 ARG 109 1HH1 ARG 109 -6.280 7.902 -11.007 809 HH12 ARG 109 2HH1 ARG 109 -7.649 8.587 -11.817 810 HH21 ARG 109 1HH2 ARG 109 -5.747 10.558 -13.988 811 HH22 ARG 109 2HH2 ARG 109 -7.347 10.091 -13.516 812 H PHE 110 H PHE 110 -3.495 5.759 -9.251 813 HA PHE 110 HA PHE 110 -5.722 7.211 -8.709 814 HB2 PHE 110 2HB PHE 110 -4.959 4.417 -7.899 815 HB3 PHE 110 1HB PHE 110 -6.519 5.096 -7.427 816 HD1 PHE 110 2HD PHE 110 -8.172 5.710 -9.140 817 HD2 PHE 110 1HD PHE 110 -4.528 3.756 -10.149 818 HE1 PHE 110 2HE PHE 110 -9.104 5.111 -11.338 819 HE2 PHE 110 1HE PHE 110 -5.454 3.156 -12.347 820 HZ PHE 110 HZ PHE 110 -7.745 3.832 -12.945 821 H ILE 111 H ILE 111 -3.449 5.903 -6.319 822 HA ILE 111 HA ILE 111 -4.780 6.842 -4.026 823 HB ILE 111 HB ILE 111 -1.831 6.356 -4.496 824 HG12 ILE 111 2HG1 ILE 111 -3.824 4.684 -2.965 825 HG13 ILE 111 1HG1 ILE 111 -3.461 4.425 -4.663 826 HG21 ILE 111 1HG2 ILE 111 -2.085 7.902 -2.658 827 HG22 ILE 111 2HG2 ILE 111 -1.638 6.312 -2.037 828 HG23 ILE 111 3HG2 ILE 111 -3.308 6.866 -1.919 829 HD11 ILE 111 3HD1 ILE 111 -1.132 3.983 -4.107 830 HD12 ILE 111 1HD1 ILE 111 -2.222 2.893 -3.251 831 HD13 ILE 111 2HD1 ILE 111 -1.490 4.254 -2.401 832 H GLU 112 H GLU 112 -2.043 8.227 -5.830 833 HA GLU 112 HA GLU 112 -1.807 10.618 -4.447 834 HB2 GLU 112 2HB GLU 112 -0.225 9.752 -6.185 835 HB3 GLU 112 1HB GLU 112 -1.392 10.227 -7.416 836 HG2 GLU 112 2HG GLU 112 -1.176 12.553 -6.746 837 HG3 GLU 112 1HG GLU 112 -0.044 12.095 -5.474 838 H ILE 113 H ILE 113 -4.256 9.528 -6.535 839 HA ILE 113 HA ILE 113 -5.209 12.164 -7.250 840 HB ILE 113 HB ILE 113 -5.715 9.414 -8.128 841 HG12 ILE 113 2HG1 ILE 113 -5.975 10.522 -10.295 842 HG13 ILE 113 1HG1 ILE 113 -5.987 12.093 -9.503 843 HG21 ILE 113 1HG2 ILE 113 -7.999 11.362 -8.003 844 HG22 ILE 113 2HG2 ILE 113 -7.915 9.748 -7.296 845 HG23 ILE 113 3HG2 ILE 113 -7.962 9.942 -9.047 846 HD11 ILE 113 3HD1 ILE 113 -3.831 11.546 -10.554 847 HD12 ILE 113 1HD1 ILE 113 -3.675 10.169 -9.464 848 HD13 ILE 113 2HD1 ILE 113 -3.697 11.809 -8.814 849 H ASN 114 H ASN 114 -6.116 9.525 -5.072 850 HA ASN 114 HA ASN 114 -8.193 11.307 -3.971 851 HB2 ASN 114 2HB ASN 114 -8.248 8.291 -4.143 852 HB3 ASN 114 1HB ASN 114 -9.450 9.279 -3.314 853 HD21 ASN 114 1HD2 ASN 114 -9.530 7.454 -5.703 854 HD22 ASN 114 2HD2 ASN 114 -10.293 8.395 -6.936 855 H SER 115 H SER 115 -5.333 10.951 -3.181 856 HA SER 115 HA SER 115 -5.437 9.643 -0.616 857 HB2 SER 115 2HB SER 115 -3.123 10.434 -0.363 858 HB3 SER 115 1HB SER 115 -3.357 9.681 -1.942 859 HG SER 115 HG SER 115 -2.267 11.899 -1.680 860 H LEU 116 H LEU 116 -7.458 11.343 -0.528 861 HA LEU 116 HA LEU 116 -6.550 13.774 0.826 862 HB2 LEU 116 2HB LEU 116 -9.315 13.005 -0.096 863 HB3 LEU 116 1HB LEU 116 -8.842 14.557 0.574 864 HG LEU 116 HG LEU 116 -7.955 13.394 -2.065 865 HD11 LEU 116 1HD1 LEU 116 -9.650 15.803 -1.431 866 HD12 LEU 116 2HD1 LEU 116 -10.252 14.257 -2.024 867 HD13 LEU 116 3HD1 LEU 116 -9.192 15.238 -3.037 868 HD21 LEU 116 3HD2 LEU 116 -6.817 15.546 -2.409 869 HD22 LEU 116 1HD2 LEU 116 -6.128 14.642 -1.061 870 HD23 LEU 116 2HD2 LEU 116 -7.204 16.005 -0.751 Start of MODEL 40 1 H GLU 1 H GLU 1 1.355 -18.476 17.558 2 HA GLU 1 HA GLU 1 0.600 -16.117 18.931 3 HB2 GLU 1 2HB GLU 1 1.582 -16.729 21.209 4 HB3 GLU 1 1HB GLU 1 -0.028 -17.331 20.848 5 HG2 GLU 1 2HG GLU 1 1.206 -19.068 21.911 6 HG3 GLU 1 1HG GLU 1 0.984 -19.506 20.218 7 H VAL 2 H VAL 2 2.538 -17.527 17.037 8 HA VAL 2 HA VAL 2 5.108 -16.747 18.173 9 HB VAL 2 HB VAL 2 6.086 -17.688 16.120 10 HG11 VAL 2 1HG1 VAL 2 4.090 -19.498 17.475 11 HG12 VAL 2 2HG1 VAL 2 5.724 -19.144 18.033 12 HG13 VAL 2 3HG1 VAL 2 5.479 -20.032 16.530 13 HG21 VAL 2 3HG2 VAL 2 4.588 -18.945 14.569 14 HG22 VAL 2 1HG2 VAL 2 4.386 -17.193 14.506 15 HG23 VAL 2 2HG2 VAL 2 3.210 -18.186 15.367 16 H GLU 3 H GLU 3 6.620 -15.479 16.771 17 HA GLU 3 HA GLU 3 5.326 -13.590 14.966 18 HB2 GLU 3 2HB GLU 3 5.166 -12.581 17.226 19 HB3 GLU 3 1HB GLU 3 6.916 -12.676 17.371 20 HG2 GLU 3 2HG GLU 3 7.162 -11.164 15.472 21 HG3 GLU 3 1HG GLU 3 5.408 -11.071 15.317 22 H LYS 4 H LYS 4 6.745 -12.554 13.540 23 HA LYS 4 HA LYS 4 9.413 -13.785 13.404 24 HB2 LYS 4 2HB LYS 4 7.737 -12.530 11.221 25 HB3 LYS 4 1HB LYS 4 9.342 -13.212 10.997 26 HG2 LYS 4 2HG LYS 4 6.951 -14.766 11.960 27 HG3 LYS 4 1HG LYS 4 7.508 -14.714 10.287 28 HD2 LYS 4 2HD LYS 4 9.661 -15.654 10.980 29 HD3 LYS 4 1HD LYS 4 9.100 -15.706 12.653 30 HE2 LYS 4 2HE LYS 4 7.854 -17.187 10.337 31 HE3 LYS 4 1HE LYS 4 8.927 -17.894 11.544 32 HZ1 LYS 4 3HZ LYS 4 6.590 -18.315 12.036 33 HZ2 LYS 4 1HZ LYS 4 6.290 -16.652 12.118 34 HZ3 LYS 4 2HZ LYS 4 7.312 -17.385 13.250 35 H SER 5 H SER 5 11.151 -12.559 13.719 36 HA SER 5 HA SER 5 11.102 -9.724 13.062 37 HB2 SER 5 2HB SER 5 11.780 -10.708 15.845 38 HB3 SER 5 1HB SER 5 11.954 -9.049 15.272 39 HG SER 5 HG SER 5 9.684 -10.445 16.010 40 H SER 6 H SER 6 12.647 -10.112 11.498 41 HA SER 6 HA SER 6 15.239 -11.140 12.443 42 HB2 SER 6 2HB SER 6 15.731 -11.625 10.071 43 HB3 SER 6 1HB SER 6 14.275 -12.455 10.617 44 HG SER 6 HG SER 6 14.237 -11.258 8.513 45 H ASP 7 H ASP 7 17.051 -9.919 12.272 46 HA ASP 7 HA ASP 7 16.701 -7.177 11.260 47 HB2 ASP 7 2HB ASP 7 17.229 -7.325 13.658 48 HB3 ASP 7 1HB ASP 7 18.691 -8.230 13.284 49 H GLY 8 H GLY 8 18.212 -6.272 9.885 50 HA2 GLY 8 2HA GLY 8 20.707 -7.077 9.185 51 HA3 GLY 8 1HA GLY 8 19.675 -8.161 8.265 52 HA PRO 9 HA PRO 9 20.521 -4.102 5.942 53 HB2 PRO 9 2HB PRO 9 21.237 -6.051 3.829 54 HB3 PRO 9 1HB PRO 9 22.067 -4.572 4.323 55 HG2 PRO 9 2HG PRO 9 23.055 -6.975 4.938 56 HG3 PRO 9 1HG PRO 9 23.167 -5.617 6.074 57 HD2 PRO 9 2HD PRO 9 21.294 -7.950 6.085 58 HD3 PRO 9 1HD PRO 9 22.111 -7.153 7.446 59 H GLY 10 H GLY 10 18.916 -3.206 4.794 60 HA2 GLY 10 2HA GLY 10 17.115 -3.017 3.357 61 HA3 GLY 10 1HA GLY 10 17.325 -4.708 2.931 62 H ALA 11 H ALA 11 14.893 -3.133 3.564 63 HA ALA 11 HA ALA 11 13.647 -5.096 5.254 64 HB1 ALA 11 1HB ALA 11 13.778 -2.237 6.214 65 HB2 ALA 11 2HB ALA 11 14.572 -3.622 6.962 66 HB3 ALA 11 3HB ALA 11 12.812 -3.524 6.937 67 H ALA 12 H ALA 12 12.937 -1.696 4.482 68 HA ALA 12 HA ALA 12 11.239 -0.702 3.353 69 HB1 ALA 12 1HB ALA 12 10.896 -3.242 1.792 70 HB2 ALA 12 2HB ALA 12 12.271 -2.168 1.540 71 HB3 ALA 12 3HB ALA 12 10.631 -1.578 1.269 72 H GLN 13 H GLN 13 9.564 -0.340 4.634 73 HA GLN 13 HA GLN 13 8.070 -2.141 6.086 74 HB2 GLN 13 2HB GLN 13 6.332 -0.368 6.181 75 HB3 GLN 13 1HB GLN 13 7.954 0.231 6.513 76 HG2 GLN 13 2HG GLN 13 8.081 0.982 4.138 77 HG3 GLN 13 1HG GLN 13 6.385 0.536 3.966 78 HE21 GLN 13 1HE2 GLN 13 5.748 1.368 6.702 79 HE22 GLN 13 2HE2 GLN 13 5.711 3.095 6.673 80 H GLU 14 H GLU 14 6.059 -3.129 5.821 81 HA GLU 14 HA GLU 14 5.141 -3.384 3.033 82 HB2 GLU 14 2HB GLU 14 4.682 -5.719 3.400 83 HB3 GLU 14 1HB GLU 14 6.348 -5.404 3.863 84 HG2 GLU 14 2HG GLU 14 5.600 -5.277 6.228 85 HG3 GLU 14 1HG GLU 14 3.993 -5.764 5.695 86 HA PRO 15 HA PRO 15 1.068 -2.329 4.316 87 HB2 PRO 15 2HB PRO 15 -0.488 -4.157 2.996 88 HB3 PRO 15 1HB PRO 15 0.246 -2.743 2.233 89 HG2 PRO 15 2HG PRO 15 1.159 -5.586 2.236 90 HG3 PRO 15 1HG PRO 15 1.167 -4.403 0.915 91 HD2 PRO 15 2HD PRO 15 3.391 -5.024 2.312 92 HD3 PRO 15 1HD PRO 15 3.104 -3.401 1.651 93 H THR 16 H THR 16 -0.384 -2.736 5.895 94 HA THR 16 HA THR 16 0.138 -4.733 7.798 95 HB THR 16 HB THR 16 -2.441 -3.185 7.486 96 HG1 THR 16 1HG THR 16 -0.384 -1.933 7.598 97 HG21 THR 16 3HG2 THR 16 -2.560 -5.036 9.078 98 HG22 THR 16 1HG2 THR 16 -2.606 -3.485 9.912 99 HG23 THR 16 2HG2 THR 16 -1.120 -4.433 9.897 100 H TRP 17 H TRP 17 -1.115 -6.511 8.473 101 HA TRP 17 HA TRP 17 -2.474 -7.861 6.263 102 HB2 TRP 17 2HB TRP 17 -1.411 -8.928 8.884 103 HB3 TRP 17 1HB TRP 17 -2.173 -9.906 7.632 104 HD1 TRP 17 HD TRP 17 1.097 -8.203 8.525 105 HE1 TRP 17 1HE TRP 17 2.897 -8.889 6.818 106 HE3 TRP 17 3HE TRP 17 -1.877 -10.597 5.128 107 HZ2 TRP 17 2HZ TRP 17 3.038 -10.263 4.356 108 HZ3 TRP 17 3HZ TRP 17 -0.834 -11.570 3.125 109 HH2 TRP 17 HH TRP 17 1.573 -11.405 2.748 110 H LEU 18 H LEU 18 -4.507 -6.962 6.321 111 HA LEU 18 HA LEU 18 -6.039 -6.953 8.794 112 HB2 LEU 18 2HB LEU 18 -6.911 -6.208 6.003 113 HB3 LEU 18 1HB LEU 18 -7.737 -5.821 7.502 114 HG LEU 18 HG LEU 18 -4.996 -4.799 6.767 115 HD11 LEU 18 1HD1 LEU 18 -6.126 -2.646 6.385 116 HD12 LEU 18 2HD1 LEU 18 -7.681 -3.460 6.551 117 HD13 LEU 18 3HD1 LEU 18 -6.600 -3.889 5.227 118 HD21 LEU 18 3HD2 LEU 18 -5.324 -4.883 9.149 119 HD22 LEU 18 1HD2 LEU 18 -6.897 -4.098 8.997 120 HD23 LEU 18 2HD2 LEU 18 -5.426 -3.206 8.609 121 H THR 19 H THR 19 -5.810 -9.341 8.932 122 HA THR 19 HA THR 19 -7.082 -11.060 7.069 123 HB THR 19 HB THR 19 -6.810 -12.810 8.722 124 HG1 THR 19 1HG THR 19 -5.615 -11.497 10.715 125 HG21 THR 19 3HG2 THR 19 -4.447 -10.931 8.756 126 HG22 THR 19 1HG2 THR 19 -4.816 -12.091 7.480 127 HG23 THR 19 2HG2 THR 19 -4.404 -12.660 9.097 128 H ASP 20 H ASP 20 -8.475 -8.859 9.136 129 HA ASP 20 HA ASP 20 -11.009 -10.312 9.015 130 HB2 ASP 20 2HB ASP 20 -9.886 -9.079 11.538 131 HB3 ASP 20 1HB ASP 20 -11.540 -9.662 11.360 132 H VAL 21 H VAL 21 -12.862 -9.040 9.028 133 HA VAL 21 HA VAL 21 -12.712 -6.597 7.702 134 HB VAL 21 HB VAL 21 -15.028 -7.523 9.405 135 HG11 VAL 21 1HG1 VAL 21 -16.372 -6.239 7.790 136 HG12 VAL 21 2HG1 VAL 21 -14.889 -5.697 7.010 137 HG13 VAL 21 3HG1 VAL 21 -15.233 -5.225 8.672 138 HG21 VAL 21 3HG2 VAL 21 -15.875 -8.554 7.310 139 HG22 VAL 21 1HG2 VAL 21 -14.417 -9.326 7.936 140 HG23 VAL 21 2HG2 VAL 21 -14.313 -8.226 6.562 141 HA PRO 22 HA PRO 22 -13.680 -4.477 12.022 142 HB2 PRO 22 2HB PRO 22 -12.492 -5.817 14.127 143 HB3 PRO 22 1HB PRO 22 -14.212 -5.893 13.726 144 HG2 PRO 22 2HG PRO 22 -12.019 -7.808 13.051 145 HG3 PRO 22 1HG PRO 22 -13.683 -8.145 13.563 146 HD2 PRO 22 2HD PRO 22 -12.948 -8.355 11.001 147 HD3 PRO 22 1HD PRO 22 -14.548 -7.730 11.450 148 H ALA 23 H ALA 23 -10.732 -6.472 11.813 149 HA ALA 23 HA ALA 23 -8.998 -4.510 12.866 150 HB1 ALA 23 1HB ALA 23 -8.428 -6.913 12.748 151 HB2 ALA 23 2HB ALA 23 -7.186 -5.884 12.032 152 HB3 ALA 23 3HB ALA 23 -8.301 -6.772 10.995 153 H ALA 24 H ALA 24 -10.145 -5.256 9.668 154 HA ALA 24 HA ALA 24 -8.381 -3.633 8.187 155 HB1 ALA 24 1HB ALA 24 -9.729 -5.311 7.083 156 HB2 ALA 24 2HB ALA 24 -10.134 -3.723 6.424 157 HB3 ALA 24 3HB ALA 24 -11.213 -4.498 7.582 158 H MET 25 H MET 25 -11.732 -3.032 9.225 159 HA MET 25 HA MET 25 -11.833 -0.334 8.461 160 HB2 MET 25 2HB MET 25 -13.413 -1.733 10.625 161 HB3 MET 25 1HB MET 25 -13.829 -0.198 9.875 162 HG2 MET 25 2HG MET 25 -13.881 -1.481 7.674 163 HG3 MET 25 1HG MET 25 -13.864 -2.937 8.665 164 HE1 MET 25 3HE MET 25 -17.586 -2.457 7.311 165 HE2 MET 25 1HE MET 25 -16.091 -3.372 7.120 166 HE3 MET 25 2HE MET 25 -16.201 -1.723 6.502 167 H GLU 26 H GLU 26 -10.564 -1.892 11.313 168 HA GLU 26 HA GLU 26 -10.538 0.426 12.963 169 HB2 GLU 26 2HB GLU 26 -9.235 -2.259 13.071 170 HB3 GLU 26 1HB GLU 26 -8.631 -0.982 14.121 171 HG2 GLU 26 2HG GLU 26 -11.044 -0.679 14.865 172 HG3 GLU 26 1HG GLU 26 -11.360 -2.219 14.063 173 H PHE 27 H PHE 27 -8.037 -1.179 11.004 174 HA PHE 27 HA PHE 27 -6.025 0.707 11.524 175 HB2 PHE 27 2HB PHE 27 -6.446 -1.437 9.522 176 HB3 PHE 27 1HB PHE 27 -5.293 -0.179 9.085 177 HD1 PHE 27 2HD PHE 27 -6.041 -2.879 11.458 178 HD2 PHE 27 1HD PHE 27 -3.199 0.038 10.224 179 HE1 PHE 27 2HE PHE 27 -4.324 -3.973 12.841 180 HE2 PHE 27 1HE PHE 27 -1.478 -1.050 11.606 181 HZ PHE 27 HZ PHE 27 -2.039 -3.058 12.917 182 H ILE 28 H ILE 28 -8.664 0.623 9.233 183 HA ILE 28 HA ILE 28 -7.801 2.870 7.691 184 HB ILE 28 HB ILE 28 -10.459 1.482 7.996 185 HG12 ILE 28 2HG1 ILE 28 -8.743 1.833 5.534 186 HG13 ILE 28 1HG1 ILE 28 -8.523 0.494 6.661 187 HG21 ILE 28 1HG2 ILE 28 -11.339 2.916 6.213 188 HG22 ILE 28 2HG2 ILE 28 -9.866 3.880 6.266 189 HG23 ILE 28 3HG2 ILE 28 -10.945 3.843 7.660 190 HD11 ILE 28 3HD1 ILE 28 -10.672 -0.375 6.175 191 HD12 ILE 28 1HD1 ILE 28 -9.900 -0.007 4.635 192 HD13 ILE 28 2HD1 ILE 28 -11.128 1.078 5.284 193 H ALA 29 H ALA 29 -9.832 2.389 10.513 194 HA ALA 29 HA ALA 29 -10.765 5.080 10.669 195 HB1 ALA 29 1HB ALA 29 -12.056 3.294 11.662 196 HB2 ALA 29 2HB ALA 29 -11.552 4.423 12.920 197 HB3 ALA 29 3HB ALA 29 -10.720 2.877 12.735 198 H ALA 30 H ALA 30 -7.889 3.456 11.583 199 HA ALA 30 HA ALA 30 -7.123 5.480 13.537 200 HB1 ALA 30 1HB ALA 30 -6.633 3.073 13.917 201 HB2 ALA 30 2HB ALA 30 -5.206 4.107 13.977 202 HB3 ALA 30 3HB ALA 30 -5.523 3.126 12.547 203 H THR 31 H THR 31 -7.495 6.178 10.705 204 HA THR 31 HA THR 31 -5.157 7.770 10.363 205 HB THR 31 HB THR 31 -4.251 5.644 9.526 206 HG1 THR 31 1HG THR 31 -4.771 7.564 7.478 207 HG21 THR 31 3HG2 THR 31 -6.110 4.448 8.757 208 HG22 THR 31 1HG2 THR 31 -5.224 4.857 7.293 209 HG23 THR 31 2HG2 THR 31 -6.659 5.776 7.735 210 H GLU 32 H GLU 32 -5.337 9.252 8.596 211 HA GLU 32 HA GLU 32 -8.056 9.953 7.975 212 HB2 GLU 32 2HB GLU 32 -6.102 11.551 8.405 213 HB3 GLU 32 1HB GLU 32 -5.567 11.169 6.774 214 HG2 GLU 32 2HG GLU 32 -7.637 12.017 5.863 215 HG3 GLU 32 1HG GLU 32 -8.250 12.324 7.488 216 H VAL 33 H VAL 33 -5.360 8.458 6.301 217 HA VAL 33 HA VAL 33 -7.157 7.807 4.067 218 HB VAL 33 HB VAL 33 -4.245 8.488 3.670 219 HG11 VAL 33 1HG1 VAL 33 -4.934 8.629 1.284 220 HG12 VAL 33 2HG1 VAL 33 -6.529 8.026 1.752 221 HG13 VAL 33 3HG1 VAL 33 -5.099 7.014 1.978 222 HG21 VAL 33 3HG2 VAL 33 -6.685 10.209 3.286 223 HG22 VAL 33 1HG2 VAL 33 -5.097 10.583 2.614 224 HG23 VAL 33 2HG2 VAL 33 -5.319 10.509 4.362 225 H ALA 34 H ALA 34 -7.045 5.713 3.385 226 HA ALA 34 HA ALA 34 -4.835 4.046 4.329 227 HB1 ALA 34 1HB ALA 34 -6.442 3.749 6.060 228 HB2 ALA 34 2HB ALA 34 -6.476 2.299 5.053 229 HB3 ALA 34 3HB ALA 34 -7.742 3.516 4.892 230 H VAL 35 H VAL 35 -4.095 2.813 2.769 231 HA VAL 35 HA VAL 35 -5.906 2.100 0.562 232 HB VAL 35 HB VAL 35 -2.929 2.576 0.542 233 HG11 VAL 35 1HG1 VAL 35 -3.362 0.571 -0.770 234 HG12 VAL 35 2HG1 VAL 35 -2.992 1.924 -1.839 235 HG13 VAL 35 3HG1 VAL 35 -4.662 1.394 -1.633 236 HG21 VAL 35 3HG2 VAL 35 -4.282 4.553 0.370 237 HG22 VAL 35 1HG2 VAL 35 -5.283 3.803 -0.875 238 HG23 VAL 35 2HG2 VAL 35 -3.594 4.199 -1.218 239 H ILE 36 H ILE 36 -6.306 0.043 0.231 240 HA ILE 36 HA ILE 36 -4.583 -1.946 1.537 241 HB ILE 36 HB ILE 36 -7.596 -1.932 1.661 242 HG12 ILE 36 2HG1 ILE 36 -5.675 -1.550 3.953 243 HG13 ILE 36 1HG1 ILE 36 -6.293 -0.190 3.026 244 HG21 ILE 36 1HG2 ILE 36 -5.531 -3.777 2.863 245 HG22 ILE 36 2HG2 ILE 36 -6.747 -4.183 1.653 246 HG23 ILE 36 3HG2 ILE 36 -7.241 -3.775 3.297 247 HD11 ILE 36 3HD1 ILE 36 -7.902 -2.150 4.628 248 HD12 ILE 36 1HD1 ILE 36 -8.575 -0.862 3.629 249 HD13 ILE 36 2HD1 ILE 36 -7.573 -0.461 5.024 250 H GLY 37 H GLY 37 -4.290 -3.827 0.491 251 HA2 GLY 37 2HA GLY 37 -5.485 -4.037 -2.179 252 HA3 GLY 37 1HA GLY 37 -3.984 -4.787 -1.680 253 H PHE 38 H PHE 38 -7.415 -5.100 -1.857 254 HA PHE 38 HA PHE 38 -7.504 -7.521 -0.260 255 HB2 PHE 38 2HB PHE 38 -9.635 -6.200 -1.963 256 HB3 PHE 38 1HB PHE 38 -9.893 -7.563 -0.878 257 HD1 PHE 38 1HD PHE 38 -8.677 -6.990 1.557 258 HD2 PHE 38 2HD PHE 38 -10.511 -4.248 -1.126 259 HE1 PHE 38 1HE PHE 38 -9.100 -5.449 3.427 260 HE2 PHE 38 2HE PHE 38 -10.940 -2.705 0.742 261 HZ PHE 38 HZ PHE 38 -10.233 -3.302 3.021 262 H PHE 39 H PHE 39 -6.245 -9.031 -1.264 263 HA PHE 39 HA PHE 39 -6.948 -9.730 -4.036 264 HB2 PHE 39 2HB PHE 39 -4.371 -10.392 -2.620 265 HB3 PHE 39 1HB PHE 39 -4.716 -10.520 -4.345 266 HD1 PHE 39 2HD PHE 39 -5.957 -7.960 -4.955 267 HD2 PHE 39 1HD PHE 39 -2.672 -8.851 -2.403 268 HE1 PHE 39 2HE PHE 39 -5.079 -5.690 -5.300 269 HE2 PHE 39 1HE PHE 39 -1.790 -6.577 -2.741 270 HZ PHE 39 HZ PHE 39 -2.994 -4.995 -4.193 271 H GLN 40 H GLN 40 -7.268 -11.842 -4.613 272 HA GLN 40 HA GLN 40 -7.862 -13.695 -2.437 273 HB2 GLN 40 2HB GLN 40 -8.424 -13.878 -5.409 274 HB3 GLN 40 1HB GLN 40 -8.942 -15.053 -4.209 275 HG2 GLN 40 2HG GLN 40 -10.327 -13.370 -3.133 276 HG3 GLN 40 1HG GLN 40 -9.784 -12.164 -4.301 277 HE21 GLN 40 1HE2 GLN 40 -11.736 -14.998 -3.797 278 HE22 GLN 40 2HE2 GLN 40 -12.640 -14.884 -5.265 279 H ASP 41 H ASP 41 -5.368 -12.866 -4.405 280 HA ASP 41 HA ASP 41 -3.895 -15.295 -3.841 281 HB2 ASP 41 2HB ASP 41 -4.977 -15.671 -6.079 282 HB3 ASP 41 1HB ASP 41 -4.115 -14.256 -6.681 283 H LEU 42 H LEU 42 -2.114 -14.512 -2.888 284 HA LEU 42 HA LEU 42 -1.213 -11.830 -3.480 285 HB2 LEU 42 2HB LEU 42 -0.131 -13.871 -1.542 286 HB3 LEU 42 1HB LEU 42 0.399 -12.202 -1.657 287 HG LEU 42 HG LEU 42 -2.386 -13.086 -0.908 288 HD11 LEU 42 1HD1 LEU 42 -0.464 -13.537 0.726 289 HD12 LEU 42 2HD1 LEU 42 -1.866 -12.647 1.321 290 HD13 LEU 42 3HD1 LEU 42 -0.385 -11.784 0.905 291 HD21 LEU 42 3HD2 LEU 42 -2.653 -10.704 -0.269 292 HD22 LEU 42 1HD2 LEU 42 -2.431 -10.944 -2.003 293 HD23 LEU 42 2HD2 LEU 42 -1.090 -10.366 -1.012 294 H GLU 43 H GLU 43 -0.963 -13.416 -5.695 295 HA GLU 43 HA GLU 43 1.958 -13.505 -6.006 296 HB2 GLU 43 2HB GLU 43 0.040 -15.487 -7.242 297 HB3 GLU 43 1HB GLU 43 1.788 -15.481 -7.407 298 HG2 GLU 43 2HG GLU 43 2.017 -15.927 -5.025 299 HG3 GLU 43 1HG GLU 43 0.263 -15.930 -4.857 300 H ILE 44 H ILE 44 -0.563 -11.808 -6.710 301 HA ILE 44 HA ILE 44 -0.309 -11.622 -9.607 302 HB ILE 44 HB ILE 44 -2.037 -9.764 -9.280 303 HG12 ILE 44 2HG1 ILE 44 -2.373 -11.045 -6.581 304 HG13 ILE 44 1HG1 ILE 44 -1.450 -9.569 -6.817 305 HG21 ILE 44 1HG2 ILE 44 -2.545 -12.036 -10.079 306 HG22 ILE 44 2HG2 ILE 44 -3.862 -11.338 -9.136 307 HG23 ILE 44 3HG2 ILE 44 -2.801 -12.548 -8.409 308 HD11 ILE 44 3HD1 ILE 44 -3.535 -8.841 -6.148 309 HD12 ILE 44 1HD1 ILE 44 -4.378 -10.027 -7.147 310 HD13 ILE 44 2HD1 ILE 44 -3.568 -8.654 -7.903 311 HA PRO 45 HA PRO 45 2.361 -8.107 -9.898 312 HB2 PRO 45 2HB PRO 45 0.179 -6.710 -11.375 313 HB3 PRO 45 1HB PRO 45 1.855 -6.987 -11.853 314 HG2 PRO 45 2HG PRO 45 -0.082 -8.415 -12.954 315 HG3 PRO 45 1HG PRO 45 1.438 -9.200 -12.484 316 HD2 PRO 45 2HD PRO 45 -1.215 -9.220 -11.089 317 HD3 PRO 45 1HD PRO 45 -0.057 -10.546 -11.322 318 H ALA 46 H ALA 46 -0.911 -7.645 -8.810 319 HA ALA 46 HA ALA 46 -0.728 -4.949 -7.997 320 HB1 ALA 46 1HB ALA 46 -2.824 -6.293 -8.358 321 HB2 ALA 46 2HB ALA 46 -2.797 -5.293 -6.906 322 HB3 ALA 46 3HB ALA 46 -2.521 -7.031 -6.784 323 H VAL 47 H VAL 47 -0.060 -7.979 -6.288 324 HA VAL 47 HA VAL 47 0.121 -6.922 -3.710 325 HB VAL 47 HB VAL 47 1.904 -9.178 -4.560 326 HG11 VAL 47 1HG1 VAL 47 1.267 -10.044 -2.338 327 HG12 VAL 47 2HG1 VAL 47 0.299 -8.593 -2.073 328 HG13 VAL 47 3HG1 VAL 47 2.049 -8.465 -2.253 329 HG21 VAL 47 3HG2 VAL 47 -1.075 -9.352 -4.120 330 HG22 VAL 47 1HG2 VAL 47 0.019 -10.712 -4.363 331 HG23 VAL 47 2HG2 VAL 47 -0.248 -9.554 -5.664 332 HA PRO 48 HA PRO 48 4.925 -6.355 -4.416 333 HB2 PRO 48 2HB PRO 48 5.015 -6.078 -7.367 334 HB3 PRO 48 1HB PRO 48 6.137 -6.907 -6.282 335 HG2 PRO 48 2HG PRO 48 4.486 -8.291 -7.845 336 HG3 PRO 48 1HG PRO 48 4.834 -8.826 -6.189 337 HD2 PRO 48 2HD PRO 48 2.427 -7.395 -7.253 338 HD3 PRO 48 1HD PRO 48 2.518 -8.737 -6.099 339 H ILE 49 H ILE 49 2.813 -4.984 -6.901 340 HA ILE 49 HA ILE 49 3.949 -2.433 -7.018 341 HB ILE 49 HB ILE 49 1.324 -3.593 -7.791 342 HG12 ILE 49 2HG1 ILE 49 3.096 -1.911 -9.501 343 HG13 ILE 49 1HG1 ILE 49 3.610 -3.539 -9.077 344 HG21 ILE 49 1HG2 ILE 49 0.406 -1.607 -7.096 345 HG22 ILE 49 2HG2 ILE 49 0.827 -1.244 -8.769 346 HG23 ILE 49 3HG2 ILE 49 1.862 -0.684 -7.456 347 HD11 ILE 49 3HD1 ILE 49 1.821 -4.517 -10.205 348 HD12 ILE 49 1HD1 ILE 49 2.368 -3.222 -11.268 349 HD13 ILE 49 2HD1 ILE 49 0.921 -3.002 -10.281 350 H LEU 50 H LEU 50 1.551 -3.801 -4.846 351 HA LEU 50 HA LEU 50 0.841 -1.291 -3.662 352 HB2 LEU 50 2HB LEU 50 -0.745 -3.100 -3.580 353 HB3 LEU 50 1HB LEU 50 0.406 -4.136 -2.771 354 HG LEU 50 HG LEU 50 0.341 -2.559 -0.820 355 HD11 LEU 50 1HD1 LEU 50 -1.466 -0.970 -0.649 356 HD12 LEU 50 2HD1 LEU 50 -2.043 -1.406 -2.257 357 HD13 LEU 50 3HD1 LEU 50 -0.486 -0.602 -2.067 358 HD21 LEU 50 3HD2 LEU 50 -2.392 -3.650 -1.461 359 HD22 LEU 50 1HD2 LEU 50 -1.598 -3.507 0.112 360 HD23 LEU 50 2HD2 LEU 50 -1.021 -4.693 -1.060 361 H HIS 51 H HIS 51 2.824 -4.061 -2.602 362 HA HIS 51 HA HIS 51 3.757 -3.006 -0.213 363 HB2 HIS 51 2HB HIS 51 5.088 -4.836 -2.214 364 HB3 HIS 51 1HB HIS 51 5.846 -4.403 -0.686 365 HD1 HIS 51 1HD HIS 51 2.295 -5.542 -1.479 366 HD2 HIS 51 2HD HIS 51 5.531 -6.525 0.934 367 HE1 HIS 51 1HE HIS 51 1.527 -7.486 -0.083 368 HE2 HIS 51 2HE HIS 51 3.531 -8.121 1.305 369 H SER 52 H SER 52 4.522 -2.200 -3.482 370 HA SER 52 HA SER 52 6.938 -0.754 -2.865 371 HB2 SER 52 2HB SER 52 5.254 -0.836 -5.381 372 HB3 SER 52 1HB SER 52 6.818 -0.037 -5.242 373 HG SER 52 HG SER 52 7.665 -1.899 -5.653 374 H MET 53 H MET 53 3.623 0.121 -3.851 375 HA MET 53 HA MET 53 3.935 2.887 -3.773 376 HB2 MET 53 2HB MET 53 1.630 3.044 -3.921 377 HB3 MET 53 1HB MET 53 1.917 1.431 -4.552 378 HG2 MET 53 2HG MET 53 0.113 1.139 -3.146 379 HG3 MET 53 1HG MET 53 1.477 0.638 -2.154 380 HE1 MET 53 3HE MET 53 -1.135 1.147 -0.633 381 HE2 MET 53 1HE MET 53 -0.601 2.211 0.666 382 HE3 MET 53 2HE MET 53 0.416 0.862 0.158 383 H VAL 54 H VAL 54 3.630 0.549 -1.255 384 HA VAL 54 HA VAL 54 2.777 2.044 0.906 385 HB VAL 54 HB VAL 54 4.814 -0.171 0.792 386 HG11 VAL 54 1HG1 VAL 54 3.485 1.019 3.214 387 HG12 VAL 54 2HG1 VAL 54 5.196 1.134 2.804 388 HG13 VAL 54 3HG1 VAL 54 4.486 -0.432 3.202 389 HG21 VAL 54 3HG2 VAL 54 1.863 -0.039 1.161 390 HG22 VAL 54 1HG2 VAL 54 2.774 -1.326 1.949 391 HG23 VAL 54 2HG2 VAL 54 2.830 -1.153 0.196 392 H GLN 55 H GLN 55 6.091 1.591 -0.271 393 HA GLN 55 HA GLN 55 7.216 3.401 1.631 394 HB2 GLN 55 2HB GLN 55 8.527 2.528 -0.921 395 HB3 GLN 55 1HB GLN 55 9.269 2.914 0.628 396 HG2 GLN 55 2HG GLN 55 8.499 0.887 1.594 397 HG3 GLN 55 1HG GLN 55 7.471 0.545 0.204 398 HE21 GLN 55 1HE2 GLN 55 8.400 -1.425 -0.221 399 HE22 GLN 55 2HE2 GLN 55 10.003 -1.594 -0.845 400 H LYS 56 H LYS 56 5.435 3.823 -1.150 401 HA LYS 56 HA LYS 56 6.722 6.335 -1.917 402 HB2 LYS 56 2HB LYS 56 4.378 4.888 -3.163 403 HB3 LYS 56 1HB LYS 56 5.176 6.312 -3.817 404 HG2 LYS 56 2HG LYS 56 7.237 5.033 -4.095 405 HG3 LYS 56 1HG LYS 56 6.437 3.602 -3.441 406 HD2 LYS 56 2HD LYS 56 6.315 3.317 -5.759 407 HD3 LYS 56 1HD LYS 56 4.725 3.949 -5.323 408 HE2 LYS 56 2HE LYS 56 5.485 5.110 -7.276 409 HE3 LYS 56 1HE LYS 56 5.540 6.223 -5.907 410 HZ1 LYS 56 3HZ LYS 56 7.866 4.747 -7.015 411 HZ2 LYS 56 1HZ LYS 56 7.910 5.839 -5.722 412 HZ3 LYS 56 2HZ LYS 56 7.528 6.383 -7.277 413 H PHE 57 H PHE 57 4.126 5.103 -0.079 414 HA PHE 57 HA PHE 57 3.130 7.828 0.361 415 HB2 PHE 57 2HB PHE 57 1.517 5.383 -0.305 416 HB3 PHE 57 1HB PHE 57 0.809 6.741 0.568 417 HD1 PHE 57 1HD PHE 57 0.594 8.934 -0.518 418 HD2 PHE 57 2HD PHE 57 1.995 5.516 -2.631 419 HE1 PHE 57 1HE PHE 57 0.176 10.087 -2.651 420 HE2 PHE 57 2HE PHE 57 1.579 6.662 -4.766 421 HZ PHE 57 HZ PHE 57 0.670 8.951 -4.778 422 HA PRO 58 HA PRO 58 4.303 5.424 4.304 423 HB2 PRO 58 2HB PRO 58 5.312 7.792 5.401 424 HB3 PRO 58 1HB PRO 58 6.274 6.499 4.678 425 HG2 PRO 58 2HG PRO 58 5.306 9.053 3.461 426 HG3 PRO 58 1HG PRO 58 6.873 8.241 3.267 427 HD2 PRO 58 2HD PRO 58 5.047 8.079 1.347 428 HD3 PRO 58 1HD PRO 58 5.991 6.644 1.796 429 H GLY 59 H GLY 59 3.030 8.704 3.786 430 HA2 GLY 59 2HA GLY 59 1.665 8.988 6.215 431 HA3 GLY 59 1HA GLY 59 1.243 9.804 4.715 432 H VAL 60 H VAL 60 0.631 7.606 3.137 433 HA VAL 60 HA VAL 60 -2.049 7.085 3.874 434 HB VAL 60 HB VAL 60 -0.226 6.019 1.732 435 HG11 VAL 60 1HG1 VAL 60 -1.607 4.118 2.361 436 HG12 VAL 60 2HG1 VAL 60 -2.119 4.752 0.797 437 HG13 VAL 60 3HG1 VAL 60 -3.061 5.110 2.245 438 HG21 VAL 60 3HG2 VAL 60 -2.734 7.691 1.745 439 HG22 VAL 60 1HG2 VAL 60 -1.944 7.098 0.281 440 HG23 VAL 60 2HG2 VAL 60 -1.095 8.212 1.353 441 H SER 61 H SER 61 -3.018 5.201 4.676 442 HA SER 61 HA SER 61 -1.270 3.567 6.298 443 HB2 SER 61 2HB SER 61 -3.387 4.315 7.250 444 HB3 SER 61 1HB SER 61 -4.273 3.494 5.968 445 HG SER 61 HG SER 61 -4.243 1.848 7.262 446 H PHE 62 H PHE 62 -0.121 2.174 5.112 447 HA PHE 62 HA PHE 62 -1.078 0.771 2.858 448 HB2 PHE 62 2HB PHE 62 0.962 -0.751 3.429 449 HB3 PHE 62 1HB PHE 62 1.242 0.918 2.934 450 HD1 PHE 62 1HD PHE 62 1.281 -1.416 5.765 451 HD2 PHE 62 2HD PHE 62 2.088 2.556 4.472 452 HE1 PHE 62 1HE PHE 62 2.537 -1.003 7.836 453 HE2 PHE 62 2HE PHE 62 3.347 2.977 6.543 454 HZ PHE 62 HZ PHE 62 3.573 1.196 8.228 455 H GLY 63 H GLY 63 -2.273 -1.005 2.695 456 HA2 GLY 63 2HA GLY 63 -2.384 -2.891 4.928 457 HA3 GLY 63 1HA GLY 63 -3.893 -2.147 4.417 458 H ILE 64 H ILE 64 -3.471 -4.899 4.383 459 HA ILE 64 HA ILE 64 -4.141 -5.464 1.660 460 HB ILE 64 HB ILE 64 -1.504 -5.497 1.963 461 HG12 ILE 64 2HG1 ILE 64 -3.053 -7.592 0.436 462 HG13 ILE 64 1HG1 ILE 64 -2.702 -5.959 -0.115 463 HG21 ILE 64 1HG2 ILE 64 -1.465 -7.085 3.799 464 HG22 ILE 64 2HG2 ILE 64 -0.664 -7.758 2.381 465 HG23 ILE 64 3HG2 ILE 64 -2.292 -8.279 2.803 466 HD11 ILE 64 3HD1 ILE 64 -0.673 -8.117 0.421 467 HD12 ILE 64 1HD1 ILE 64 -0.318 -6.477 -0.124 468 HD13 ILE 64 2HD1 ILE 64 -1.230 -7.574 -1.163 469 H SER 65 H SER 65 -5.271 -7.386 1.463 470 HA SER 65 HA SER 65 -5.367 -9.205 3.730 471 HB2 SER 65 2HB SER 65 -7.010 -7.525 4.390 472 HB3 SER 65 1HB SER 65 -7.814 -7.674 2.828 473 HG SER 65 HG SER 65 -7.482 -9.885 4.552 474 H THR 66 H THR 66 -6.539 -11.151 3.316 475 HA THR 66 HA THR 66 -7.196 -11.660 0.504 476 HB THR 66 HB THR 66 -6.051 -13.845 0.600 477 HG1 THR 66 1HG THR 66 -4.351 -13.471 2.582 478 HG21 THR 66 3HG2 THR 66 -4.131 -11.622 1.267 479 HG22 THR 66 1HG2 THR 66 -4.940 -11.777 -0.294 480 HG23 THR 66 2HG2 THR 66 -3.836 -13.039 0.259 481 H ASP 67 H ASP 67 -8.013 -11.830 3.720 482 HA ASP 67 HA ASP 67 -9.372 -14.267 3.954 483 HB2 ASP 67 2HB ASP 67 -8.842 -12.721 5.841 484 HB3 ASP 67 1HB ASP 67 -10.107 -11.641 5.264 485 H SER 68 H SER 68 -11.415 -14.920 3.465 486 HA SER 68 HA SER 68 -12.697 -13.749 1.254 487 HB2 SER 68 2HB SER 68 -14.481 -15.414 1.666 488 HB3 SER 68 1HB SER 68 -12.874 -16.136 1.730 489 HG SER 68 HG SER 68 -14.670 -16.385 3.532 490 H GLU 69 H GLU 69 -13.572 -13.773 4.702 491 HA GLU 69 HA GLU 69 -16.015 -12.494 4.552 492 HB2 GLU 69 2HB GLU 69 -13.964 -12.093 6.723 493 HB3 GLU 69 1HB GLU 69 -15.699 -11.845 6.853 494 HG2 GLU 69 2HG GLU 69 -16.055 -14.241 6.453 495 HG3 GLU 69 1HG GLU 69 -14.308 -14.474 6.386 496 H VAL 70 H VAL 70 -12.790 -11.017 4.697 497 HA VAL 70 HA VAL 70 -13.819 -8.362 4.750 498 HB VAL 70 HB VAL 70 -11.061 -9.404 4.103 499 HG11 VAL 70 1HG1 VAL 70 -11.984 -6.550 4.403 500 HG12 VAL 70 2HG1 VAL 70 -11.338 -7.305 2.944 501 HG13 VAL 70 3HG1 VAL 70 -10.297 -7.066 4.349 502 HG21 VAL 70 3HG2 VAL 70 -10.585 -8.236 6.328 503 HG22 VAL 70 1HG2 VAL 70 -11.472 -9.762 6.379 504 HG23 VAL 70 2HG2 VAL 70 -12.334 -8.234 6.549 505 H LEU 71 H LEU 71 -12.305 -10.333 2.201 506 HA LEU 71 HA LEU 71 -12.594 -8.457 0.137 507 HB2 LEU 71 2HB LEU 71 -12.212 -11.414 0.245 508 HB3 LEU 71 1HB LEU 71 -12.634 -10.674 -1.288 509 HG LEU 71 HG LEU 71 -10.641 -9.401 -1.348 510 HD11 LEU 71 1HD1 LEU 71 -10.556 -8.628 0.926 511 HD12 LEU 71 2HD1 LEU 71 -9.018 -9.385 0.509 512 HD13 LEU 71 3HD1 LEU 71 -10.188 -10.253 1.504 513 HD21 LEU 71 3HD2 LEU 71 -9.982 -12.139 -0.272 514 HD22 LEU 71 1HD2 LEU 71 -8.892 -11.102 -1.195 515 HD23 LEU 71 2HD2 LEU 71 -10.353 -11.743 -1.950 516 H THR 72 H THR 72 -14.894 -10.286 1.810 517 HA THR 72 HA THR 72 -16.878 -10.201 -0.323 518 HB THR 72 HB THR 72 -17.041 -11.250 2.511 519 HG1 THR 72 1HG THR 72 -16.500 -13.109 1.629 520 HG21 THR 72 3HG2 THR 72 -19.091 -11.212 0.293 521 HG22 THR 72 1HG2 THR 72 -19.237 -10.520 1.909 522 HG23 THR 72 2HG2 THR 72 -19.200 -12.272 1.699 523 H HIS 73 H HIS 73 -16.196 -8.760 2.818 524 HA HIS 73 HA HIS 73 -18.580 -7.302 3.104 525 HB2 HIS 73 2HB HIS 73 -16.739 -7.766 4.846 526 HB3 HIS 73 1HB HIS 73 -15.912 -6.374 4.152 527 HD1 HIS 73 1HD HIS 73 -18.430 -7.286 6.604 528 HD2 HIS 73 2HD HIS 73 -17.516 -3.919 4.348 529 HE1 HIS 73 1HE HIS 73 -19.642 -5.384 7.715 530 HE2 HIS 73 2HE HIS 73 -18.990 -3.340 6.394 531 H TYR 74 H TYR 74 -15.490 -6.526 1.580 532 HA TYR 74 HA TYR 74 -16.437 -3.893 0.791 533 HB2 TYR 74 2HB TYR 74 -13.824 -5.347 0.372 534 HB3 TYR 74 1HB TYR 74 -14.161 -3.767 -0.326 535 HD1 TYR 74 1HD TYR 74 -13.830 -5.594 2.886 536 HD2 TYR 74 2HD TYR 74 -13.903 -1.803 0.956 537 HE1 TYR 74 1HE TYR 74 -13.070 -4.529 4.966 538 HE2 TYR 74 2HE TYR 74 -13.145 -0.726 3.031 539 HH TYR 74 HH TYR 74 -11.901 -2.459 5.655 540 H ASN 75 H ASN 75 -17.221 -6.778 -0.237 541 HA ASN 75 HA ASN 75 -18.030 -7.681 -2.154 542 HB2 ASN 75 2HB ASN 75 -18.098 -4.765 -2.927 543 HB3 ASN 75 1HB ASN 75 -18.802 -6.051 -3.907 544 HD21 ASN 75 1HD2 ASN 75 -20.877 -5.273 -3.708 545 HD22 ASN 75 2HD2 ASN 75 -21.769 -5.358 -2.230 546 H ILE 76 H ILE 76 -15.114 -7.294 -1.827 547 HA ILE 76 HA ILE 76 -13.887 -6.636 -4.272 548 HB ILE 76 HB ILE 76 -12.881 -8.606 -2.215 549 HG12 ILE 76 2HG1 ILE 76 -13.492 -6.513 -1.136 550 HG13 ILE 76 1HG1 ILE 76 -11.744 -6.674 -1.194 551 HG21 ILE 76 1HG2 ILE 76 -11.543 -7.037 -4.396 552 HG22 ILE 76 2HG2 ILE 76 -11.542 -8.780 -4.137 553 HG23 ILE 76 3HG2 ILE 76 -10.652 -7.725 -3.041 554 HD11 ILE 76 3HD1 ILE 76 -13.358 -5.033 -3.130 555 HD12 ILE 76 1HD1 ILE 76 -11.601 -5.095 -2.988 556 HD13 ILE 76 2HD1 ILE 76 -12.566 -4.395 -1.689 557 H THR 77 H THR 77 -13.944 -7.650 -6.166 558 HA THR 77 HA THR 77 -14.110 -10.571 -6.236 559 HB THR 77 HB THR 77 -15.787 -10.482 -8.065 560 HG1 THR 77 1HG THR 77 -15.384 -8.220 -8.584 561 HG21 THR 77 3HG2 THR 77 -17.730 -10.031 -6.639 562 HG22 THR 77 1HG2 THR 77 -16.681 -9.241 -5.463 563 HG23 THR 77 2HG2 THR 77 -16.502 -10.966 -5.786 564 H GLY 78 H GLY 78 -11.765 -9.501 -6.660 565 HA2 GLY 78 2HA GLY 78 -10.805 -10.361 -9.024 566 HA3 GLY 78 1HA GLY 78 -11.377 -8.752 -9.435 567 H ASN 79 H ASN 79 -9.794 -9.925 -6.480 568 HA ASN 79 HA ASN 79 -7.992 -9.124 -5.331 569 HB2 ASN 79 2HB ASN 79 -6.832 -8.728 -8.089 570 HB3 ASN 79 1HB ASN 79 -5.945 -8.995 -6.595 571 HD21 ASN 79 1HD2 ASN 79 -7.923 -11.018 -5.720 572 HD22 ASN 79 2HD2 ASN 79 -7.553 -12.438 -6.630 573 H THR 80 H THR 80 -9.940 -7.259 -5.643 574 HA THR 80 HA THR 80 -9.113 -4.801 -6.779 575 HB THR 80 HB THR 80 -11.192 -5.393 -4.663 576 HG1 THR 80 1HG THR 80 -12.598 -5.513 -6.379 577 HG21 THR 80 3HG2 THR 80 -12.196 -3.252 -5.267 578 HG22 THR 80 1HG2 THR 80 -10.865 -2.931 -6.378 579 HG23 THR 80 2HG2 THR 80 -10.560 -3.026 -4.646 580 H ILE 81 H ILE 81 -8.555 -2.865 -5.766 581 HA ILE 81 HA ILE 81 -7.324 -3.080 -3.094 582 HB ILE 81 HB ILE 81 -6.441 -1.448 -5.482 583 HG12 ILE 81 2HG1 ILE 81 -5.070 -3.599 -3.861 584 HG13 ILE 81 1HG1 ILE 81 -5.687 -3.768 -5.500 585 HG21 ILE 81 1HG2 ILE 81 -4.711 -0.493 -4.060 586 HG22 ILE 81 2HG2 ILE 81 -5.365 -1.352 -2.666 587 HG23 ILE 81 3HG2 ILE 81 -6.315 -0.090 -3.451 588 HD11 ILE 81 3HD1 ILE 81 -3.386 -2.070 -4.583 589 HD12 ILE 81 1HD1 ILE 81 -4.067 -2.025 -6.212 590 HD13 ILE 81 2HD1 ILE 81 -3.326 -3.508 -5.603 591 H CYS 82 H CYS 82 -8.451 -1.920 -1.632 592 HA CYS 82 HA CYS 82 -10.091 0.288 -2.645 593 HB2 CYS 82 2HB CYS 82 -10.343 -1.322 -0.114 594 HB3 CYS 82 1HB CYS 82 -11.376 0.040 -0.532 595 HG CYS 82 HG CYS 82 -12.006 -1.426 -3.066 596 H LEU 83 H LEU 83 -9.741 2.303 -2.115 597 HA LEU 83 HA LEU 83 -7.813 2.922 0.009 598 HB2 LEU 83 2HB LEU 83 -6.961 3.875 -1.921 599 HB3 LEU 83 1HB LEU 83 -8.544 4.239 -2.570 600 HG LEU 83 HG LEU 83 -8.781 6.147 -1.123 601 HD11 LEU 83 1HD1 LEU 83 -6.058 5.686 0.037 602 HD12 LEU 83 2HD1 LEU 83 -7.506 5.034 0.802 603 HD13 LEU 83 3HD1 LEU 83 -7.332 6.777 0.586 604 HD21 LEU 83 3HD2 LEU 83 -7.640 6.663 -3.120 605 HD22 LEU 83 1HD2 LEU 83 -6.129 5.974 -2.524 606 HD23 LEU 83 2HD2 LEU 83 -6.753 7.470 -1.829 607 H PHE 84 H PHE 84 -9.029 3.136 1.831 608 HA PHE 84 HA PHE 84 -11.509 4.670 1.706 609 HB2 PHE 84 2HB PHE 84 -11.141 2.416 2.985 610 HB3 PHE 84 1HB PHE 84 -10.427 3.447 4.221 611 HD1 PHE 84 1HD PHE 84 -11.912 5.525 4.902 612 HD2 PHE 84 2HD PHE 84 -13.386 1.965 3.092 613 HE1 PHE 84 1HE PHE 84 -14.155 6.009 5.789 614 HE2 PHE 84 2HE PHE 84 -15.633 2.444 3.975 615 HZ PHE 84 HZ PHE 84 -16.019 4.467 5.325 616 H ARG 85 H ARG 85 -11.528 6.779 2.171 617 HA ARG 85 HA ARG 85 -9.243 7.891 3.662 618 HB2 ARG 85 2HB ARG 85 -11.094 9.761 2.326 619 HB3 ARG 85 1HB ARG 85 -9.338 9.756 2.387 620 HG2 ARG 85 2HG ARG 85 -9.272 8.012 0.685 621 HG3 ARG 85 1HG ARG 85 -11.041 8.020 0.618 622 HD2 ARG 85 2HD ARG 85 -9.158 10.243 -0.147 623 HD3 ARG 85 1HD ARG 85 -10.240 9.336 -1.204 624 HE ARG 85 HE ARG 85 -11.728 10.634 0.812 625 HH11 ARG 85 1HH1 ARG 85 -9.924 11.284 -2.094 626 HH12 ARG 85 2HH1 ARG 85 -10.824 12.711 -2.490 627 HH21 ARG 85 1HH2 ARG 85 -12.921 12.513 0.301 628 HH22 ARG 85 2HH2 ARG 85 -12.528 13.410 -1.128 629 H LEU 86 H LEU 86 -9.992 7.432 5.714 630 HA LEU 86 HA LEU 86 -12.251 7.508 7.024 631 HB2 LEU 86 2HB LEU 86 -10.429 7.259 8.390 632 HB3 LEU 86 1HB LEU 86 -9.611 8.665 7.741 633 HG LEU 86 HG LEU 86 -11.192 10.117 8.983 634 HD11 LEU 86 1HD1 LEU 86 -12.120 7.506 10.177 635 HD12 LEU 86 2HD1 LEU 86 -13.072 8.592 9.163 636 HD13 LEU 86 3HD1 LEU 86 -12.552 9.112 10.766 637 HD21 LEU 86 3HD2 LEU 86 -10.239 9.657 11.215 638 HD22 LEU 86 1HD2 LEU 86 -9.032 9.654 9.928 639 HD23 LEU 86 2HD2 LEU 86 -9.612 8.127 10.600 640 H VAL 87 H VAL 87 -10.556 10.615 6.556 641 HA VAL 87 HA VAL 87 -12.263 12.390 7.611 642 HB VAL 87 HB VAL 87 -11.737 13.735 5.313 643 HG11 VAL 87 1HG1 VAL 87 -9.887 13.224 7.636 644 HG12 VAL 87 2HG1 VAL 87 -11.124 14.475 7.524 645 HG13 VAL 87 3HG1 VAL 87 -9.707 14.539 6.475 646 HG21 VAL 87 3HG2 VAL 87 -10.712 11.835 4.227 647 HG22 VAL 87 1HG2 VAL 87 -9.624 11.602 5.598 648 HG23 VAL 87 2HG2 VAL 87 -9.478 13.042 4.588 649 H ASP 88 H ASP 88 -12.508 12.043 4.099 650 HA ASP 88 HA ASP 88 -15.273 12.776 4.169 651 HB2 ASP 88 2HB ASP 88 -13.372 12.027 1.958 652 HB3 ASP 88 1HB ASP 88 -15.075 12.370 1.655 653 H ASN 89 H ASN 89 -13.832 10.001 4.915 654 HA ASN 89 HA ASN 89 -14.413 7.810 5.023 655 HB2 ASN 89 2HB ASN 89 -17.204 8.890 4.616 656 HB3 ASN 89 1HB ASN 89 -16.778 7.327 5.306 657 HD21 ASN 89 1HD2 ASN 89 -16.891 10.756 5.817 658 HD22 ASN 89 2HD2 ASN 89 -16.620 10.716 7.523 659 H GLU 90 H GLU 90 -13.792 8.934 2.371 660 HA GLU 90 HA GLU 90 -15.515 7.731 0.447 661 HB2 GLU 90 2HB GLU 90 -12.656 8.669 0.193 662 HB3 GLU 90 1HB GLU 90 -13.683 8.198 -1.154 663 HG2 GLU 90 2HG GLU 90 -14.167 10.486 0.728 664 HG3 GLU 90 1HG GLU 90 -13.563 10.608 -0.921 665 H GLN 91 H GLN 91 -14.785 6.060 -1.094 666 HA GLN 91 HA GLN 91 -12.840 4.152 -0.090 667 HB2 GLN 91 2HB GLN 91 -15.049 3.606 0.996 668 HB3 GLN 91 1HB GLN 91 -15.681 3.276 -0.611 669 HG2 GLN 91 2HG GLN 91 -13.381 1.776 -0.530 670 HG3 GLN 91 1HG GLN 91 -14.006 1.645 1.113 671 HE21 GLN 91 1HE2 GLN 91 -16.025 2.112 -1.703 672 HE22 GLN 91 2HE2 GLN 91 -16.774 0.556 -1.664 673 H LEU 92 H LEU 92 -11.703 4.620 -1.986 674 HA LEU 92 HA LEU 92 -12.919 4.316 -4.575 675 HB2 LEU 92 2HB LEU 92 -9.997 4.511 -3.832 676 HB3 LEU 92 1HB LEU 92 -10.656 4.660 -5.447 677 HG LEU 92 HG LEU 92 -10.155 6.854 -4.748 678 HD11 LEU 92 1HD1 LEU 92 -12.298 6.714 -5.855 679 HD12 LEU 92 2HD1 LEU 92 -12.331 7.972 -4.617 680 HD13 LEU 92 3HD1 LEU 92 -13.101 6.415 -4.313 681 HD21 LEU 92 3HD2 LEU 92 -10.541 7.795 -2.670 682 HD22 LEU 92 1HD2 LEU 92 -10.095 6.136 -2.277 683 HD23 LEU 92 2HD2 LEU 92 -11.791 6.622 -2.256 684 H ASN 93 H ASN 93 -13.315 2.388 -5.485 685 HA ASN 93 HA ASN 93 -11.815 0.078 -4.497 686 HB2 ASN 93 2HB ASN 93 -13.661 -1.168 -5.855 687 HB3 ASN 93 1HB ASN 93 -14.060 -0.446 -4.302 688 HD21 ASN 93 1HD2 ASN 93 -14.455 -0.268 -7.734 689 HD22 ASN 93 2HD2 ASN 93 -15.724 0.905 -7.739 690 H LEU 94 H LEU 94 -9.932 0.175 -5.655 691 HA LEU 94 HA LEU 94 -9.911 0.338 -8.530 692 HB2 LEU 94 2HB LEU 94 -8.067 1.049 -6.833 693 HB3 LEU 94 1HB LEU 94 -7.643 -0.651 -6.811 694 HG LEU 94 HG LEU 94 -7.807 0.628 -9.474 695 HD11 LEU 94 1HD1 LEU 94 -6.687 2.370 -8.203 696 HD12 LEU 94 2HD1 LEU 94 -5.531 1.537 -9.243 697 HD13 LEU 94 3HD1 LEU 94 -5.580 1.181 -7.515 698 HD21 LEU 94 3HD2 LEU 94 -5.891 -1.288 -8.151 699 HD22 LEU 94 1HD2 LEU 94 -5.866 -0.816 -9.851 700 HD23 LEU 94 2HD2 LEU 94 -7.235 -1.722 -9.206 701 H GLU 95 H GLU 95 -11.417 -1.383 -8.913 702 HA GLU 95 HA GLU 95 -10.798 -4.062 -8.077 703 HB2 GLU 95 2HB GLU 95 -12.892 -3.145 -10.041 704 HB3 GLU 95 1HB GLU 95 -12.830 -4.691 -9.203 705 HG2 GLU 95 2HG GLU 95 -13.214 -3.618 -7.091 706 HG3 GLU 95 1HG GLU 95 -13.130 -2.024 -7.842 707 H ASP 96 H ASP 96 -11.597 -5.566 -10.196 708 HA ASP 96 HA ASP 96 -9.322 -6.295 -11.487 709 HB2 ASP 96 2HB ASP 96 -10.961 -7.152 -13.319 710 HB3 ASP 96 1HB ASP 96 -11.076 -7.802 -11.685 711 H GLU 97 H GLU 97 -11.819 -4.183 -12.886 712 HA GLU 97 HA GLU 97 -10.772 -3.661 -15.344 713 HB2 GLU 97 2HB GLU 97 -12.033 -1.619 -13.504 714 HB3 GLU 97 1HB GLU 97 -11.882 -1.470 -15.249 715 HG2 GLU 97 2HG GLU 97 -13.334 -3.395 -15.558 716 HG3 GLU 97 1HG GLU 97 -13.455 -3.598 -13.811 717 H ASP 98 H ASP 98 -9.364 -2.843 -12.355 718 HA ASP 98 HA ASP 98 -7.339 -1.208 -13.721 719 HB2 ASP 98 2HB ASP 98 -8.399 -0.845 -10.905 720 HB3 ASP 98 1HB ASP 98 -7.062 0.062 -11.613 721 H ILE 99 H ILE 99 -7.987 -3.972 -11.866 722 HA ILE 99 HA ILE 99 -5.320 -4.153 -10.708 723 HB ILE 99 HB ILE 99 -7.731 -5.958 -10.520 724 HG12 ILE 99 2HG1 ILE 99 -7.730 -3.776 -9.297 725 HG13 ILE 99 1HG1 ILE 99 -7.901 -5.192 -8.270 726 HG21 ILE 99 1HG2 ILE 99 -4.964 -6.329 -9.403 727 HG22 ILE 99 2HG2 ILE 99 -5.912 -7.453 -10.379 728 HG23 ILE 99 3HG2 ILE 99 -6.384 -7.114 -8.712 729 HD11 ILE 99 3HD1 ILE 99 -6.426 -3.581 -7.255 730 HD12 ILE 99 1HD1 ILE 99 -5.397 -3.578 -8.687 731 HD13 ILE 99 2HD1 ILE 99 -5.522 -5.030 -7.693 732 H GLU 100 H GLU 100 -7.224 -5.634 -13.266 733 HA GLU 100 HA GLU 100 -5.717 -7.861 -13.869 734 HB2 GLU 100 2HB GLU 100 -6.600 -7.675 -16.149 735 HB3 GLU 100 1HB GLU 100 -7.847 -7.368 -14.950 736 HG2 GLU 100 2HG GLU 100 -7.480 -4.928 -15.297 737 HG3 GLU 100 1HG GLU 100 -6.392 -5.336 -16.622 738 H SER 101 H SER 101 -5.140 -4.504 -14.795 739 HA SER 101 HA SER 101 -2.472 -5.314 -15.747 740 HB2 SER 101 2HB SER 101 -4.275 -3.184 -16.923 741 HB3 SER 101 1HB SER 101 -2.597 -3.448 -17.396 742 HG SER 101 HG SER 101 -4.843 -5.091 -17.809 743 H ILE 102 H ILE 102 -3.271 -4.454 -13.112 744 HA ILE 102 HA ILE 102 -2.788 -1.771 -12.571 745 HB ILE 102 HB ILE 102 -3.700 -3.328 -10.911 746 HG12 ILE 102 2HG1 ILE 102 -2.197 -2.582 -8.971 747 HG13 ILE 102 1HG1 ILE 102 -1.189 -1.813 -10.191 748 HG21 ILE 102 1HG2 ILE 102 -2.077 -4.771 -9.648 749 HG22 ILE 102 2HG2 ILE 102 -0.904 -4.467 -10.931 750 HG23 ILE 102 3HG2 ILE 102 -2.416 -5.299 -11.294 751 HD11 ILE 102 3HD1 ILE 102 -3.105 -0.461 -10.901 752 HD12 ILE 102 1HD1 ILE 102 -2.693 -0.211 -9.204 753 HD13 ILE 102 2HD1 ILE 102 -4.079 -1.210 -9.637 754 H ASP 103 H ASP 103 -0.999 -0.594 -12.061 755 HA ASP 103 HA ASP 103 1.631 -1.871 -12.216 756 HB2 ASP 103 2HB ASP 103 0.899 0.649 -13.721 757 HB3 ASP 103 1HB ASP 103 2.488 -0.107 -13.669 758 H ALA 104 H ALA 104 3.265 -0.759 -11.020 759 HA ALA 104 HA ALA 104 2.502 0.389 -8.651 760 HB1 ALA 104 1HB ALA 104 4.806 1.303 -8.493 761 HB2 ALA 104 2HB ALA 104 5.068 0.805 -10.167 762 HB3 ALA 104 3HB ALA 104 4.731 -0.407 -8.926 763 H THR 105 H THR 105 3.107 1.957 -11.732 764 HA THR 105 HA THR 105 2.990 4.632 -10.885 765 HB THR 105 HB THR 105 2.145 3.447 -13.537 766 HG1 THR 105 1HG THR 105 4.591 4.115 -12.401 767 HG21 THR 105 3HG2 THR 105 1.172 5.621 -13.305 768 HG22 THR 105 1HG2 THR 105 2.562 5.754 -14.383 769 HG23 THR 105 2HG2 THR 105 2.692 6.290 -12.707 770 H LYS 106 H LYS 106 0.474 2.447 -12.093 771 HA LYS 106 HA LYS 106 -1.666 4.242 -11.980 772 HB2 LYS 106 2HB LYS 106 -1.684 1.231 -11.658 773 HB3 LYS 106 1HB LYS 106 -3.101 2.227 -11.977 774 HG2 LYS 106 2HG LYS 106 -2.205 2.888 -14.117 775 HG3 LYS 106 1HG LYS 106 -0.710 2.007 -13.794 776 HD2 LYS 106 2HD LYS 106 -2.075 0.652 -15.229 777 HD3 LYS 106 1HD LYS 106 -2.068 -0.084 -13.628 778 HE2 LYS 106 2HE LYS 106 -4.246 0.770 -13.149 779 HE3 LYS 106 1HE LYS 106 -4.240 1.760 -14.609 780 HZ1 LYS 106 3HZ LYS 106 -4.169 -1.209 -14.585 781 HZ2 LYS 106 1HZ LYS 106 -4.301 -0.214 -15.947 782 HZ3 LYS 106 2HZ LYS 106 -5.564 -0.286 -14.825 783 H LEU 107 H LEU 107 -0.955 1.612 -9.646 784 HA LEU 107 HA LEU 107 -2.798 2.242 -7.720 785 HB2 LEU 107 2HB LEU 107 -0.634 0.534 -7.880 786 HB3 LEU 107 1HB LEU 107 -0.186 1.594 -6.561 787 HG LEU 107 HG LEU 107 -2.452 -0.357 -6.729 788 HD11 LEU 107 1HD1 LEU 107 -0.255 0.252 -4.767 789 HD12 LEU 107 2HD1 LEU 107 -0.501 -1.215 -5.717 790 HD13 LEU 107 3HD1 LEU 107 -1.601 -0.827 -4.395 791 HD21 LEU 107 3HD2 LEU 107 -3.399 0.637 -4.666 792 HD22 LEU 107 1HD2 LEU 107 -3.573 1.677 -6.079 793 HD23 LEU 107 2HD2 LEU 107 -2.330 2.021 -4.877 794 H SER 108 H SER 108 0.569 3.411 -7.807 795 HA SER 108 HA SER 108 0.387 5.190 -5.667 796 HB2 SER 108 2HB SER 108 2.130 5.406 -8.132 797 HB3 SER 108 1HB SER 108 2.391 6.259 -6.610 798 HG SER 108 HG SER 108 2.148 3.703 -6.025 799 H ARG 109 H ARG 109 -0.576 5.533 -9.008 800 HA ARG 109 HA ARG 109 -0.885 8.350 -8.982 801 HB2 ARG 109 2HB ARG 109 -0.655 6.990 -11.057 802 HB3 ARG 109 1HB ARG 109 -2.244 6.314 -10.757 803 HG2 ARG 109 2HG ARG 109 -1.866 9.271 -11.005 804 HG3 ARG 109 1HG ARG 109 -2.011 8.248 -12.436 805 HD2 ARG 109 2HD ARG 109 -4.143 7.352 -11.443 806 HD3 ARG 109 1HD ARG 109 -4.015 8.616 -10.217 807 HE ARG 109 HE ARG 109 -3.840 9.939 -12.605 808 HH11 ARG 109 1HH1 ARG 109 -6.147 7.784 -11.126 809 HH12 ARG 109 2HH1 ARG 109 -7.510 8.483 -11.933 810 HH21 ARG 109 1HH2 ARG 109 -5.630 10.865 -13.672 811 HH22 ARG 109 2HH2 ARG 109 -7.217 10.234 -13.381 812 H PHE 110 H PHE 110 -3.385 5.834 -9.186 813 HA PHE 110 HA PHE 110 -5.618 7.263 -8.642 814 HB2 PHE 110 2HB PHE 110 -4.839 4.474 -7.838 815 HB3 PHE 110 1HB PHE 110 -6.398 5.137 -7.353 816 HD1 PHE 110 1HD PHE 110 -4.280 4.545 -10.353 817 HD2 PHE 110 2HD PHE 110 -8.210 5.013 -8.791 818 HE1 PHE 110 1HE PHE 110 -5.219 3.934 -12.542 819 HE2 PHE 110 2HE PHE 110 -9.156 4.402 -10.977 820 HZ PHE 110 HZ PHE 110 -7.659 3.860 -12.857 821 H ILE 111 H ILE 111 -3.334 5.996 -6.240 822 HA ILE 111 HA ILE 111 -4.708 6.936 -3.964 823 HB ILE 111 HB ILE 111 -1.751 6.454 -4.377 824 HG12 ILE 111 2HG1 ILE 111 -3.776 4.766 -2.907 825 HG13 ILE 111 1HG1 ILE 111 -3.367 4.519 -4.597 826 HG21 ILE 111 1HG2 ILE 111 -3.285 6.920 -1.823 827 HG22 ILE 111 2HG2 ILE 111 -2.081 7.999 -2.537 828 HG23 ILE 111 3HG2 ILE 111 -1.598 6.415 -1.925 829 HD11 ILE 111 3HD1 ILE 111 -2.153 2.977 -3.192 830 HD12 ILE 111 1HD1 ILE 111 -1.480 4.319 -2.265 831 HD13 ILE 111 2HD1 ILE 111 -1.039 4.108 -3.960 832 H GLU 112 H GLU 112 -1.929 8.299 -5.717 833 HA GLU 112 HA GLU 112 -1.702 10.697 -4.356 834 HB2 GLU 112 2HB GLU 112 -0.133 9.803 -6.113 835 HB3 GLU 112 1HB GLU 112 -1.294 10.327 -7.328 836 HG2 GLU 112 2HG GLU 112 -1.035 12.638 -6.574 837 HG3 GLU 112 1HG GLU 112 0.136 12.111 -5.364 838 H ILE 113 H ILE 113 -4.152 9.594 -6.430 839 HA ILE 113 HA ILE 113 -5.128 12.232 -7.127 840 HB ILE 113 HB ILE 113 -5.615 9.477 -8.040 841 HG12 ILE 113 2HG1 ILE 113 -5.781 10.591 -10.210 842 HG13 ILE 113 1HG1 ILE 113 -5.792 12.163 -9.417 843 HG21 ILE 113 1HG2 ILE 113 -7.821 10.063 -9.037 844 HG22 ILE 113 2HG2 ILE 113 -7.866 11.467 -7.968 845 HG23 ILE 113 3HG2 ILE 113 -7.832 9.839 -7.288 846 HD11 ILE 113 3HD1 ILE 113 -3.531 11.803 -8.627 847 HD12 ILE 113 1HD1 ILE 113 -3.612 11.616 -10.378 848 HD13 ILE 113 2HD1 ILE 113 -3.520 10.191 -9.342 849 H ASN 114 H ASN 114 -5.997 9.540 -4.999 850 HA ASN 114 HA ASN 114 -8.102 11.264 -3.868 851 HB2 ASN 114 2HB ASN 114 -8.185 8.266 -4.226 852 HB3 ASN 114 1HB ASN 114 -9.370 9.196 -3.312 853 HD21 ASN 114 1HD2 ASN 114 -9.282 11.458 -5.134 854 HD22 ASN 114 2HD2 ASN 114 -10.137 10.972 -6.554 855 H SER 115 H SER 115 -5.310 10.975 -3.015 856 HA SER 115 HA SER 115 -5.427 9.482 -0.545 857 HB2 SER 115 2HB SER 115 -3.140 10.316 -0.188 858 HB3 SER 115 1HB SER 115 -3.320 9.638 -1.807 859 HG SER 115 HG SER 115 -3.687 12.393 -1.333 860 H LEU 116 H LEU 116 -7.420 11.481 -0.786 861 HA LEU 116 HA LEU 116 -6.613 13.734 0.834 862 HB2 LEU 116 2HB LEU 116 -9.358 12.939 -0.119 863 HB3 LEU 116 1HB LEU 116 -8.905 14.487 0.570 864 HG LEU 116 HG LEU 116 -8.003 13.368 -2.084 865 HD11 LEU 116 1HD1 LEU 116 -10.285 14.183 -2.111 866 HD12 LEU 116 2HD1 LEU 116 -9.233 15.286 -2.999 867 HD13 LEU 116 3HD1 LEU 116 -9.775 15.701 -1.374 868 HD21 LEU 116 3HD2 LEU 116 -7.270 15.955 -0.713 869 HD22 LEU 116 1HD2 LEU 116 -6.905 15.558 -2.393 870 HD23 LEU 116 2HD2 LEU 116 -6.186 14.616 -1.089 Start of MODEL 41 1 H GLU 1 H GLU 1 19.196 -20.860 9.503 2 HA GLU 1 HA GLU 1 18.964 -23.322 10.891 3 HB2 GLU 1 2HB GLU 1 16.697 -23.406 9.957 4 HB3 GLU 1 1HB GLU 1 17.347 -23.218 8.335 5 HG2 GLU 1 2HG GLU 1 16.788 -25.519 8.712 6 HG3 GLU 1 1HG GLU 1 18.539 -25.356 8.591 7 H VAL 2 H VAL 2 19.078 -22.490 7.418 8 HA VAL 2 HA VAL 2 21.752 -23.727 7.321 9 HB VAL 2 HB VAL 2 21.342 -24.117 4.917 10 HG11 VAL 2 1HG1 VAL 2 20.892 -25.887 6.531 11 HG12 VAL 2 2HG1 VAL 2 19.746 -25.954 5.193 12 HG13 VAL 2 3HG1 VAL 2 19.248 -25.285 6.747 13 HG21 VAL 2 3HG2 VAL 2 18.562 -23.121 5.540 14 HG22 VAL 2 1HG2 VAL 2 19.057 -23.896 4.035 15 HG23 VAL 2 2HG2 VAL 2 19.743 -22.338 4.490 16 H GLU 3 H GLU 3 19.922 -20.866 6.765 17 HA GLU 3 HA GLU 3 22.064 -19.624 5.215 18 HB2 GLU 3 2HB GLU 3 19.331 -18.611 6.014 19 HB3 GLU 3 1HB GLU 3 20.490 -17.695 5.060 20 HG2 GLU 3 2HG GLU 3 19.212 -20.307 4.279 21 HG3 GLU 3 1HG GLU 3 18.808 -18.711 3.645 22 H LYS 4 H LYS 4 23.139 -17.737 5.888 23 HA LYS 4 HA LYS 4 22.935 -17.140 8.765 24 HB2 LYS 4 2HB LYS 4 25.485 -17.304 7.147 25 HB3 LYS 4 1HB LYS 4 25.368 -16.878 8.849 26 HG2 LYS 4 2HG LYS 4 24.569 -19.090 9.392 27 HG3 LYS 4 1HG LYS 4 24.549 -19.529 7.683 28 HD2 LYS 4 2HD LYS 4 26.991 -19.163 7.596 29 HD3 LYS 4 1HD LYS 4 26.978 -18.820 9.326 30 HE2 LYS 4 2HE LYS 4 26.117 -21.067 9.766 31 HE3 LYS 4 1HE LYS 4 26.121 -21.409 8.036 32 HZ1 LYS 4 3HZ LYS 4 28.539 -21.055 8.047 33 HZ2 LYS 4 1HZ LYS 4 28.075 -22.333 9.053 34 HZ3 LYS 4 2HZ LYS 4 28.498 -20.841 9.724 35 H SER 5 H SER 5 21.845 -15.824 6.317 36 HA SER 5 HA SER 5 23.331 -13.400 5.960 37 HB2 SER 5 2HB SER 5 21.918 -14.263 4.159 38 HB3 SER 5 1HB SER 5 20.489 -14.097 5.178 39 HG SER 5 HG SER 5 22.085 -11.841 4.777 40 H SER 6 H SER 6 23.067 -11.448 6.923 41 HA SER 6 HA SER 6 20.874 -11.141 8.850 42 HB2 SER 6 2HB SER 6 23.778 -10.491 9.404 43 HB3 SER 6 1HB SER 6 22.428 -10.140 10.483 44 HG SER 6 HG SER 6 22.502 -12.749 9.682 45 H ASP 7 H ASP 7 23.665 -9.329 7.549 46 HA ASP 7 HA ASP 7 22.287 -6.833 7.666 47 HB2 ASP 7 2HB ASP 7 24.805 -7.558 6.152 48 HB3 ASP 7 1HB ASP 7 24.245 -5.927 6.509 49 H GLY 8 H GLY 8 20.471 -6.709 6.448 50 HA2 GLY 8 2HA GLY 8 20.515 -7.643 3.683 51 HA3 GLY 8 1HA GLY 8 19.108 -7.069 4.566 52 HA PRO 9 HA PRO 9 20.766 -3.829 1.488 53 HB2 PRO 9 2HB PRO 9 17.900 -3.855 0.725 54 HB3 PRO 9 1HB PRO 9 19.338 -3.814 -0.300 55 HG2 PRO 9 2HG PRO 9 17.876 -6.035 -0.069 56 HG3 PRO 9 1HG PRO 9 19.645 -6.106 -0.190 57 HD2 PRO 9 2HD PRO 9 17.892 -6.414 2.216 58 HD3 PRO 9 1HD PRO 9 19.376 -7.287 1.782 59 H GLY 10 H GLY 10 17.698 -4.033 3.273 60 HA2 GLY 10 2HA GLY 10 18.261 -1.680 4.776 61 HA3 GLY 10 1HA GLY 10 17.093 -1.347 3.505 62 H ALA 11 H ALA 11 15.008 -2.072 3.700 63 HA ALA 11 HA ALA 11 14.165 -4.030 5.566 64 HB1 ALA 11 1HB ALA 11 14.727 -2.301 7.198 65 HB2 ALA 11 2HB ALA 11 12.989 -2.597 7.159 66 HB3 ALA 11 3HB ALA 11 13.657 -1.167 6.374 67 H ALA 12 H ALA 12 12.865 -0.900 4.461 68 HA ALA 12 HA ALA 12 11.048 -0.348 3.220 69 HB1 ALA 12 1HB ALA 12 12.280 -1.753 1.555 70 HB2 ALA 12 2HB ALA 12 10.535 -1.663 1.306 71 HB3 ALA 12 3HB ALA 12 11.248 -3.104 2.029 72 H GLN 13 H GLN 13 9.354 -0.099 4.524 73 HA GLN 13 HA GLN 13 8.119 -2.025 6.105 74 HB2 GLN 13 2HB GLN 13 6.185 -0.423 6.147 75 HB3 GLN 13 1HB GLN 13 7.740 0.294 6.547 76 HG2 GLN 13 2HG GLN 13 7.911 1.146 4.243 77 HG3 GLN 13 1HG GLN 13 6.313 0.482 3.905 78 HE21 GLN 13 1HE2 GLN 13 7.196 1.926 6.959 79 HE22 GLN 13 2HE2 GLN 13 6.201 3.330 6.809 80 H GLU 14 H GLU 14 5.835 -2.782 5.905 81 HA GLU 14 HA GLU 14 5.055 -3.341 3.130 82 HB2 GLU 14 2HB GLU 14 4.671 -5.667 3.597 83 HB3 GLU 14 1HB GLU 14 6.319 -5.281 4.072 84 HG2 GLU 14 2HG GLU 14 5.405 -4.990 6.424 85 HG3 GLU 14 1HG GLU 14 3.937 -5.762 5.825 86 HA PRO 15 HA PRO 15 0.967 -2.304 4.361 87 HB2 PRO 15 2HB PRO 15 -0.547 -4.172 3.049 88 HB3 PRO 15 1HB PRO 15 0.176 -2.761 2.276 89 HG2 PRO 15 2HG PRO 15 1.121 -5.591 2.322 90 HG3 PRO 15 1HG PRO 15 1.139 -4.419 0.991 91 HD2 PRO 15 2HD PRO 15 3.344 -5.014 2.441 92 HD3 PRO 15 1HD PRO 15 3.065 -3.408 1.740 93 H THR 16 H THR 16 -0.641 -2.772 5.820 94 HA THR 16 HA THR 16 -0.066 -4.652 7.841 95 HB THR 16 HB THR 16 -2.706 -3.260 7.366 96 HG1 THR 16 1HG THR 16 -1.381 -1.968 9.185 97 HG21 THR 16 3HG2 THR 16 -1.421 -4.353 9.872 98 HG22 THR 16 1HG2 THR 16 -2.810 -5.042 9.031 99 HG23 THR 16 2HG2 THR 16 -2.943 -3.463 9.803 100 H TRP 17 H TRP 17 -1.291 -6.435 8.577 101 HA TRP 17 HA TRP 17 -2.466 -7.996 6.396 102 HB2 TRP 17 2HB TRP 17 -1.505 -8.811 9.145 103 HB3 TRP 17 1HB TRP 17 -2.202 -9.916 7.965 104 HD1 TRP 17 HD TRP 17 -0.717 -9.515 5.397 105 HE1 TRP 17 1HE TRP 17 1.833 -9.791 5.178 106 HE3 TRP 17 3HE TRP 17 0.592 -8.865 10.296 107 HZ2 TRP 17 2HZ TRP 17 4.100 -9.743 6.863 108 HZ3 TRP 17 3HZ TRP 17 2.971 -8.998 10.910 109 HH2 TRP 17 HH TRP 17 4.688 -9.429 9.226 110 H LEU 18 H LEU 18 -4.532 -7.041 6.335 111 HA LEU 18 HA LEU 18 -6.178 -7.074 8.738 112 HB2 LEU 18 2HB LEU 18 -6.914 -6.284 5.917 113 HB3 LEU 18 1HB LEU 18 -7.850 -5.971 7.368 114 HG LEU 18 HG LEU 18 -5.122 -4.816 6.794 115 HD11 LEU 18 1HD1 LEU 18 -6.703 -3.864 5.274 116 HD12 LEU 18 2HD1 LEU 18 -6.360 -2.686 6.539 117 HD13 LEU 18 3HD1 LEU 18 -7.865 -3.603 6.572 118 HD21 LEU 18 3HD2 LEU 18 -7.080 -4.379 9.039 119 HD22 LEU 18 1HD2 LEU 18 -5.710 -3.319 8.707 120 HD23 LEU 18 2HD2 LEU 18 -5.435 -5.004 9.151 121 H THR 19 H THR 19 -6.046 -9.410 8.954 122 HA THR 19 HA THR 19 -7.199 -11.133 6.986 123 HB THR 19 HB THR 19 -6.984 -12.901 8.654 124 HG1 THR 19 1HG THR 19 -7.202 -10.899 10.377 125 HG21 THR 19 3HG2 THR 19 -4.992 -12.286 7.389 126 HG22 THR 19 1HG2 THR 19 -4.557 -12.762 9.030 127 HG23 THR 19 2HG2 THR 19 -4.594 -11.056 8.588 128 H ASP 20 H ASP 20 -8.617 -9.014 9.156 129 HA ASP 20 HA ASP 20 -11.155 -10.463 8.931 130 HB2 ASP 20 2HB ASP 20 -10.028 -9.322 11.491 131 HB3 ASP 20 1HB ASP 20 -11.711 -9.800 11.292 132 H VAL 21 H VAL 21 -13.007 -9.198 8.883 133 HA VAL 21 HA VAL 21 -12.835 -6.727 7.636 134 HB VAL 21 HB VAL 21 -15.167 -7.734 9.275 135 HG11 VAL 21 1HG1 VAL 21 -15.367 -5.376 8.734 136 HG12 VAL 21 2HG1 VAL 21 -16.514 -6.320 7.785 137 HG13 VAL 21 3HG1 VAL 21 -15.034 -5.718 7.036 138 HG21 VAL 21 3HG2 VAL 21 -14.518 -8.151 6.361 139 HG22 VAL 21 1HG2 VAL 21 -16.010 -8.644 7.162 140 HG23 VAL 21 2HG2 VAL 21 -14.475 -9.382 7.623 141 HA PRO 22 HA PRO 22 -13.881 -4.686 11.982 142 HB2 PRO 22 2HB PRO 22 -12.708 -6.072 14.069 143 HB3 PRO 22 1HB PRO 22 -14.424 -6.136 13.657 144 HG2 PRO 22 2HG PRO 22 -12.230 -8.038 12.944 145 HG3 PRO 22 1HG PRO 22 -13.897 -8.386 13.448 146 HD2 PRO 22 2HD PRO 22 -13.175 -8.544 10.884 147 HD3 PRO 22 1HD PRO 22 -14.763 -7.898 11.345 148 H ALA 23 H ALA 23 -10.930 -6.673 11.781 149 HA ALA 23 HA ALA 23 -9.211 -4.727 12.886 150 HB1 ALA 23 1HB ALA 23 -8.391 -6.886 10.951 151 HB2 ALA 23 2HB ALA 23 -8.722 -7.191 12.658 152 HB3 ALA 23 3HB ALA 23 -7.407 -6.113 12.194 153 H ALA 24 H ALA 24 -10.342 -5.391 9.671 154 HA ALA 24 HA ALA 24 -8.533 -3.751 8.246 155 HB1 ALA 24 1HB ALA 24 -11.344 -4.625 7.570 156 HB2 ALA 24 2HB ALA 24 -9.841 -5.407 7.077 157 HB3 ALA 24 3HB ALA 24 -10.255 -3.810 6.449 158 H MET 25 H MET 25 -11.921 -3.178 9.168 159 HA MET 25 HA MET 25 -12.003 -0.470 8.465 160 HB2 MET 25 2HB MET 25 -13.650 -1.809 10.613 161 HB3 MET 25 1HB MET 25 -14.068 -0.366 9.699 162 HG2 MET 25 2HG MET 25 -14.078 -1.759 7.637 163 HG3 MET 25 1HG MET 25 -13.850 -3.176 8.658 164 HE1 MET 25 3HE MET 25 -17.606 -0.500 8.631 165 HE2 MET 25 1HE MET 25 -16.301 -0.390 7.451 166 HE3 MET 25 2HE MET 25 -16.018 0.088 9.124 167 H GLU 26 H GLU 26 -10.790 -2.080 11.309 168 HA GLU 26 HA GLU 26 -10.807 0.211 13.006 169 HB2 GLU 26 2HB GLU 26 -9.511 -2.481 13.106 170 HB3 GLU 26 1HB GLU 26 -8.936 -1.220 14.191 171 HG2 GLU 26 2HG GLU 26 -11.382 -0.932 14.861 172 HG3 GLU 26 1HG GLU 26 -11.648 -2.478 14.053 173 H PHE 27 H PHE 27 -8.261 -1.380 11.093 174 HA PHE 27 HA PHE 27 -6.236 0.452 11.697 175 HB2 PHE 27 2HB PHE 27 -6.653 -1.665 9.705 176 HB3 PHE 27 1HB PHE 27 -5.587 -0.371 9.164 177 HD1 PHE 27 2HD PHE 27 -6.062 -3.034 11.646 178 HD2 PHE 27 1HD PHE 27 -3.432 -0.037 10.153 179 HE1 PHE 27 2HE PHE 27 -4.213 -4.013 12.944 180 HE2 PHE 27 1HE PHE 27 -1.580 -1.012 11.449 181 HZ PHE 27 HZ PHE 27 -1.971 -3.001 12.846 182 H ILE 28 H ILE 28 -8.793 0.486 9.295 183 HA ILE 28 HA ILE 28 -7.845 2.796 7.903 184 HB ILE 28 HB ILE 28 -10.520 1.416 8.002 185 HG12 ILE 28 2HG1 ILE 28 -8.728 1.871 5.622 186 HG13 ILE 28 1HG1 ILE 28 -8.489 0.506 6.716 187 HG21 ILE 28 1HG2 ILE 28 -11.050 3.743 7.742 188 HG22 ILE 28 2HG2 ILE 28 -11.237 2.950 6.179 189 HG23 ILE 28 3HG2 ILE 28 -9.811 3.931 6.503 190 HD11 ILE 28 3HD1 ILE 28 -11.123 1.025 5.386 191 HD12 ILE 28 1HD1 ILE 28 -10.532 -0.466 6.122 192 HD13 ILE 28 2HD1 ILE 28 -9.840 0.102 4.602 193 H ALA 29 H ALA 29 -10.050 2.209 10.578 194 HA ALA 29 HA ALA 29 -10.963 4.904 10.790 195 HB1 ALA 29 1HB ALA 29 -12.325 3.070 11.610 196 HB2 ALA 29 2HB ALA 29 -11.931 4.170 12.931 197 HB3 ALA 29 3HB ALA 29 -11.077 2.634 12.778 198 H ALA 30 H ALA 30 -8.141 3.249 11.772 199 HA ALA 30 HA ALA 30 -7.514 5.200 13.862 200 HB1 ALA 30 1HB ALA 30 -7.079 2.841 14.330 201 HB2 ALA 30 2HB ALA 30 -5.590 3.785 14.345 202 HB3 ALA 30 3HB ALA 30 -5.977 2.772 12.954 203 H THR 31 H THR 31 -7.638 5.883 10.974 204 HA THR 31 HA THR 31 -5.339 7.531 10.847 205 HB THR 31 HB THR 31 -4.195 5.451 10.269 206 HG1 THR 31 1HG THR 31 -3.103 6.694 8.958 207 HG21 THR 31 3HG2 THR 31 -4.846 4.013 8.582 208 HG22 THR 31 1HG2 THR 31 -5.810 5.242 7.763 209 HG23 THR 31 2HG2 THR 31 -6.399 4.507 9.253 210 H GLU 32 H GLU 32 -5.347 8.947 9.032 211 HA GLU 32 HA GLU 32 -7.909 9.640 8.080 212 HB2 GLU 32 2HB GLU 32 -5.232 10.686 7.924 213 HB3 GLU 32 1HB GLU 32 -5.991 10.764 6.339 214 HG2 GLU 32 2HG GLU 32 -6.472 12.805 7.357 215 HG3 GLU 32 1HG GLU 32 -7.954 11.858 7.486 216 H VAL 33 H VAL 33 -5.259 9.165 5.815 217 HA VAL 33 HA VAL 33 -7.082 7.886 3.951 218 HB VAL 33 HB VAL 33 -4.170 8.528 3.515 219 HG11 VAL 33 1HG1 VAL 33 -6.480 8.155 1.609 220 HG12 VAL 33 2HG1 VAL 33 -5.136 7.038 1.864 221 HG13 VAL 33 3HG1 VAL 33 -4.840 8.625 1.151 222 HG21 VAL 33 3HG2 VAL 33 -6.569 10.292 3.037 223 HG22 VAL 33 1HG2 VAL 33 -4.912 10.653 2.551 224 HG23 VAL 33 2HG2 VAL 33 -5.326 10.543 4.263 225 H ALA 34 H ALA 34 -7.053 5.771 3.391 226 HA ALA 34 HA ALA 34 -4.846 4.087 4.331 227 HB1 ALA 34 1HB ALA 34 -6.497 2.388 5.111 228 HB2 ALA 34 2HB ALA 34 -7.764 3.596 4.892 229 HB3 ALA 34 3HB ALA 34 -6.478 3.871 6.066 230 H VAL 35 H VAL 35 -4.131 2.797 2.794 231 HA VAL 35 HA VAL 35 -5.969 2.080 0.610 232 HB VAL 35 HB VAL 35 -2.995 2.562 0.533 233 HG11 VAL 35 1HG1 VAL 35 -3.104 1.893 -1.845 234 HG12 VAL 35 2HG1 VAL 35 -4.762 1.344 -1.596 235 HG13 VAL 35 3HG1 VAL 35 -3.433 0.546 -0.755 236 HG21 VAL 35 3HG2 VAL 35 -5.376 3.771 -0.855 237 HG22 VAL 35 1HG2 VAL 35 -3.697 4.163 -1.233 238 HG23 VAL 35 2HG2 VAL 35 -4.352 4.533 0.363 239 H ILE 36 H ILE 36 -6.371 0.019 0.290 240 HA ILE 36 HA ILE 36 -4.624 -1.970 1.561 241 HB ILE 36 HB ILE 36 -7.629 -1.863 1.766 242 HG12 ILE 36 2HG1 ILE 36 -5.730 -1.934 4.077 243 HG13 ILE 36 1HG1 ILE 36 -5.978 -0.415 3.228 244 HG21 ILE 36 1HG2 ILE 36 -7.305 -3.859 3.262 245 HG22 ILE 36 2HG2 ILE 36 -5.654 -3.970 2.643 246 HG23 ILE 36 3HG2 ILE 36 -7.025 -4.155 1.545 247 HD11 ILE 36 3HD1 ILE 36 -8.412 -0.670 3.652 248 HD12 ILE 36 1HD1 ILE 36 -7.422 -0.471 5.099 249 HD13 ILE 36 2HD1 ILE 36 -8.029 -2.069 4.656 250 H GLY 37 H GLY 37 -4.253 -3.778 0.449 251 HA2 GLY 37 2HA GLY 37 -5.489 -3.995 -2.195 252 HA3 GLY 37 1HA GLY 37 -3.982 -4.745 -1.706 253 H PHE 38 H PHE 38 -7.391 -5.080 -1.925 254 HA PHE 38 HA PHE 38 -7.522 -7.484 -0.312 255 HB2 PHE 38 2HB PHE 38 -9.611 -6.300 -2.157 256 HB3 PHE 38 1HB PHE 38 -9.873 -7.525 -0.920 257 HD1 PHE 38 1HD PHE 38 -8.655 -4.030 -1.312 258 HD2 PHE 38 2HD PHE 38 -10.584 -6.889 1.176 259 HE1 PHE 38 1HE PHE 38 -9.131 -2.271 0.336 260 HE2 PHE 38 2HE PHE 38 -11.064 -5.129 2.826 261 HZ PHE 38 HZ PHE 38 -10.337 -2.819 2.409 262 H PHE 39 H PHE 39 -6.166 -8.953 -1.283 263 HA PHE 39 HA PHE 39 -6.800 -9.704 -4.059 264 HB2 PHE 39 2HB PHE 39 -4.244 -10.300 -2.576 265 HB3 PHE 39 1HB PHE 39 -4.547 -10.454 -4.305 266 HD1 PHE 39 1HD PHE 39 -5.789 -7.951 -5.026 267 HD2 PHE 39 2HD PHE 39 -2.619 -8.700 -2.289 268 HE1 PHE 39 1HE PHE 39 -4.950 -5.668 -5.381 269 HE2 PHE 39 2HE PHE 39 -1.773 -6.415 -2.639 270 HZ PHE 39 HZ PHE 39 -2.939 -4.897 -4.186 271 H GLN 40 H GLN 40 -7.225 -11.785 -4.586 272 HA GLN 40 HA GLN 40 -7.754 -13.635 -2.404 273 HB2 GLN 40 2HB GLN 40 -8.265 -13.883 -5.379 274 HB3 GLN 40 1HB GLN 40 -8.779 -15.046 -4.165 275 HG2 GLN 40 2HG GLN 40 -10.152 -13.267 -3.120 276 HG3 GLN 40 1HG GLN 40 -9.710 -12.199 -4.452 277 HE21 GLN 40 1HE2 GLN 40 -9.746 -14.411 -6.384 278 HE22 GLN 40 2HE2 GLN 40 -11.413 -14.743 -6.687 279 H ASP 41 H ASP 41 -5.258 -12.786 -4.364 280 HA ASP 41 HA ASP 41 -3.755 -15.197 -3.762 281 HB2 ASP 41 2HB ASP 41 -4.758 -15.599 -6.015 282 HB3 ASP 41 1HB ASP 41 -3.966 -14.131 -6.596 283 H LEU 42 H LEU 42 -1.912 -14.487 -2.874 284 HA LEU 42 HA LEU 42 -1.052 -11.763 -3.397 285 HB2 LEU 42 2HB LEU 42 0.010 -13.825 -1.471 286 HB3 LEU 42 1HB LEU 42 0.573 -12.165 -1.582 287 HG LEU 42 HG LEU 42 -2.216 -13.022 -0.813 288 HD11 LEU 42 1HD1 LEU 42 -1.629 -12.232 1.406 289 HD12 LEU 42 2HD1 LEU 42 0.001 -11.844 0.855 290 HD13 LEU 42 3HD1 LEU 42 -0.537 -13.521 0.900 291 HD21 LEU 42 3HD2 LEU 42 -0.934 -10.309 -1.087 292 HD22 LEU 42 1HD2 LEU 42 -2.424 -10.593 -0.187 293 HD23 LEU 42 2HD2 LEU 42 -2.364 -10.922 -1.919 294 H GLU 43 H GLU 43 -0.802 -13.278 -5.630 295 HA GLU 43 HA GLU 43 2.108 -13.348 -5.963 296 HB2 GLU 43 2HB GLU 43 0.153 -15.477 -6.814 297 HB3 GLU 43 1HB GLU 43 1.747 -15.321 -7.538 298 HG2 GLU 43 2HG GLU 43 1.414 -15.541 -4.580 299 HG3 GLU 43 1HG GLU 43 1.406 -16.975 -5.607 300 H ILE 44 H ILE 44 -0.477 -11.746 -6.682 301 HA ILE 44 HA ILE 44 -0.168 -11.597 -9.585 302 HB ILE 44 HB ILE 44 -2.036 -9.834 -9.294 303 HG12 ILE 44 2HG1 ILE 44 -2.723 -11.306 -6.809 304 HG13 ILE 44 1HG1 ILE 44 -1.535 -10.018 -6.692 305 HG21 ILE 44 1HG2 ILE 44 -2.707 -12.690 -8.598 306 HG22 ILE 44 2HG2 ILE 44 -2.263 -12.147 -10.219 307 HG23 ILE 44 3HG2 ILE 44 -3.719 -11.519 -9.446 308 HD11 ILE 44 3HD1 ILE 44 -4.421 -9.881 -7.398 309 HD12 ILE 44 1HD1 ILE 44 -3.311 -8.622 -7.943 310 HD13 ILE 44 2HD1 ILE 44 -3.503 -8.941 -6.219 311 HA PRO 45 HA PRO 45 2.356 -7.986 -9.851 312 HB2 PRO 45 2HB PRO 45 0.096 -6.738 -11.359 313 HB3 PRO 45 1HB PRO 45 1.805 -6.839 -11.786 314 HG2 PRO 45 2HG PRO 45 0.048 -8.438 -12.960 315 HG3 PRO 45 1HG PRO 45 1.636 -9.061 -12.471 316 HD2 PRO 45 2HD PRO 45 -1.034 -9.462 -11.195 317 HD3 PRO 45 1HD PRO 45 0.332 -10.587 -11.336 318 H ALA 46 H ALA 46 -1.013 -7.563 -8.949 319 HA ALA 46 HA ALA 46 -0.915 -4.912 -8.071 320 HB1 ALA 46 1HB ALA 46 -2.988 -5.303 -7.046 321 HB2 ALA 46 2HB ALA 46 -2.643 -7.018 -6.820 322 HB3 ALA 46 3HB ALA 46 -2.949 -6.387 -8.439 323 H VAL 47 H VAL 47 -0.046 -7.904 -6.396 324 HA VAL 47 HA VAL 47 0.073 -6.776 -3.816 325 HB VAL 47 HB VAL 47 1.851 -9.063 -4.576 326 HG11 VAL 47 1HG1 VAL 47 1.231 -9.846 -2.338 327 HG12 VAL 47 2HG1 VAL 47 0.197 -8.431 -2.133 328 HG13 VAL 47 3HG1 VAL 47 1.942 -8.233 -2.290 329 HG21 VAL 47 3HG2 VAL 47 -1.125 -9.257 -4.126 330 HG22 VAL 47 1HG2 VAL 47 -0.012 -10.597 -4.399 331 HG23 VAL 47 2HG2 VAL 47 -0.323 -9.435 -5.687 332 HA PRO 48 HA PRO 48 4.893 -6.280 -4.516 333 HB2 PRO 48 2HB PRO 48 4.947 -6.050 -7.475 334 HB3 PRO 48 1HB PRO 48 6.103 -6.829 -6.385 335 HG2 PRO 48 2HG PRO 48 4.459 -8.281 -7.898 336 HG3 PRO 48 1HG PRO 48 4.857 -8.775 -6.242 337 HD2 PRO 48 2HD PRO 48 2.378 -7.479 -7.289 338 HD3 PRO 48 1HD PRO 48 2.554 -8.747 -6.066 339 H ILE 49 H ILE 49 2.655 -4.972 -6.896 340 HA ILE 49 HA ILE 49 3.777 -2.404 -7.100 341 HB ILE 49 HB ILE 49 1.143 -3.608 -7.792 342 HG12 ILE 49 2HG1 ILE 49 2.882 -1.973 -9.583 343 HG13 ILE 49 1HG1 ILE 49 3.404 -3.589 -9.128 344 HG21 ILE 49 1HG2 ILE 49 0.247 -1.600 -7.121 345 HG22 ILE 49 2HG2 ILE 49 0.617 -1.290 -8.817 346 HG23 ILE 49 3HG2 ILE 49 1.693 -0.690 -7.555 347 HD11 ILE 49 3HD1 ILE 49 1.575 -4.590 -10.184 348 HD12 ILE 49 1HD1 ILE 49 2.139 -3.350 -11.303 349 HD13 ILE 49 2HD1 ILE 49 0.705 -3.060 -10.317 350 H LEU 50 H LEU 50 1.361 -3.774 -4.926 351 HA LEU 50 HA LEU 50 0.695 -1.271 -3.715 352 HB2 LEU 50 2HB LEU 50 -0.917 -3.040 -3.594 353 HB3 LEU 50 1HB LEU 50 0.242 -4.121 -2.853 354 HG LEU 50 HG LEU 50 0.285 -2.560 -0.873 355 HD11 LEU 50 1HD1 LEU 50 -0.616 -0.595 -2.051 356 HD12 LEU 50 2HD1 LEU 50 -1.528 -0.993 -0.596 357 HD13 LEU 50 3HD1 LEU 50 -2.172 -1.413 -2.184 358 HD21 LEU 50 3HD2 LEU 50 -1.042 -4.698 -1.026 359 HD22 LEU 50 1HD2 LEU 50 -2.445 -3.704 -1.434 360 HD23 LEU 50 2HD2 LEU 50 -1.642 -3.504 0.128 361 H HIS 51 H HIS 51 2.644 -4.060 -2.653 362 HA HIS 51 HA HIS 51 3.619 -2.980 -0.291 363 HB2 HIS 51 2HB HIS 51 4.893 -4.903 -2.246 364 HB3 HIS 51 1HB HIS 51 5.623 -4.487 -0.697 365 HD1 HIS 51 1HD HIS 51 5.282 -6.410 0.805 366 HD2 HIS 51 2HD HIS 51 1.898 -5.625 -1.473 367 HE1 HIS 51 1HE HIS 51 3.542 -8.042 1.600 368 HE2 HIS 51 2HE HIS 51 1.475 -7.481 0.275 369 H SER 52 H SER 52 4.387 -2.264 -3.577 370 HA SER 52 HA SER 52 6.862 -0.894 -2.984 371 HB2 SER 52 2HB SER 52 6.571 -1.991 -5.159 372 HB3 SER 52 1HB SER 52 5.191 -0.951 -5.512 373 HG SER 52 HG SER 52 7.085 -0.151 -6.479 374 H MET 53 H MET 53 3.537 0.013 -3.853 375 HA MET 53 HA MET 53 3.946 2.791 -3.884 376 HB2 MET 53 2HB MET 53 1.653 3.010 -4.054 377 HB3 MET 53 1HB MET 53 1.889 1.375 -4.647 378 HG2 MET 53 2HG MET 53 0.072 1.166 -3.244 379 HG3 MET 53 1HG MET 53 1.415 0.655 -2.228 380 HE1 MET 53 3HE MET 53 -1.198 1.266 -0.776 381 HE2 MET 53 1HE MET 53 -0.692 2.368 0.502 382 HE3 MET 53 2HE MET 53 0.317 0.985 0.081 383 H VAL 54 H VAL 54 3.593 0.503 -1.333 384 HA VAL 54 HA VAL 54 2.746 2.039 0.798 385 HB VAL 54 HB VAL 54 4.748 -0.209 0.734 386 HG11 VAL 54 1HG1 VAL 54 3.419 1.036 3.129 387 HG12 VAL 54 2HG1 VAL 54 5.134 1.133 2.724 388 HG13 VAL 54 3HG1 VAL 54 4.409 -0.422 3.143 389 HG21 VAL 54 3HG2 VAL 54 2.712 -1.350 1.860 390 HG22 VAL 54 1HG2 VAL 54 2.712 -1.113 0.114 391 HG23 VAL 54 2HG2 VAL 54 1.796 -0.022 1.150 392 H GLN 55 H GLN 55 6.077 1.556 -0.348 393 HA GLN 55 HA GLN 55 7.187 3.368 1.555 394 HB2 GLN 55 2HB GLN 55 8.520 2.531 -0.993 395 HB3 GLN 55 1HB GLN 55 9.246 2.902 0.564 396 HG2 GLN 55 2HG GLN 55 8.423 0.852 1.497 397 HG3 GLN 55 1HG GLN 55 7.518 0.504 0.024 398 HE21 GLN 55 1HE2 GLN 55 8.540 -1.421 -0.377 399 HE22 GLN 55 2HE2 GLN 55 10.192 -1.525 -0.873 400 H LYS 56 H LYS 56 5.476 3.760 -1.304 401 HA LYS 56 HA LYS 56 6.743 6.288 -2.030 402 HB2 LYS 56 2HB LYS 56 4.442 4.805 -3.312 403 HB3 LYS 56 1HB LYS 56 5.209 6.251 -3.949 404 HG2 LYS 56 2HG LYS 56 7.284 5.056 -4.266 405 HG3 LYS 56 1HG LYS 56 6.588 3.607 -3.538 406 HD2 LYS 56 2HD LYS 56 6.486 3.292 -5.884 407 HD3 LYS 56 1HD LYS 56 4.844 3.683 -5.366 408 HE2 LYS 56 2HE LYS 56 5.207 4.970 -7.303 409 HE3 LYS 56 1HE LYS 56 5.396 6.090 -5.953 410 HZ1 LYS 56 3HZ LYS 56 7.627 4.763 -7.392 411 HZ2 LYS 56 1HZ LYS 56 7.781 5.888 -6.137 412 HZ3 LYS 56 2HZ LYS 56 7.133 6.363 -7.625 413 H PHE 57 H PHE 57 4.150 5.059 -0.210 414 HA PHE 57 HA PHE 57 3.115 7.775 0.185 415 HB2 PHE 57 2HB PHE 57 1.540 5.309 -0.491 416 HB3 PHE 57 1HB PHE 57 0.802 6.665 0.358 417 HD1 PHE 57 1HD PHE 57 2.246 5.518 -2.799 418 HD2 PHE 57 2HD PHE 57 0.396 8.762 -0.757 419 HE1 PHE 57 1HE PHE 57 1.866 6.651 -4.948 420 HE2 PHE 57 2HE PHE 57 0.011 9.898 -2.905 421 HZ PHE 57 HZ PHE 57 0.747 8.842 -5.003 422 HA PRO 58 HA PRO 58 4.234 5.392 4.156 423 HB2 PRO 58 2HB PRO 58 5.290 7.738 5.242 424 HB3 PRO 58 1HB PRO 58 6.227 6.423 4.524 425 HG2 PRO 58 2HG PRO 58 5.320 8.995 3.301 426 HG3 PRO 58 1HG PRO 58 6.867 8.148 3.111 427 HD2 PRO 58 2HD PRO 58 5.037 8.027 1.191 428 HD3 PRO 58 1HD PRO 58 5.961 6.576 1.636 429 H GLY 59 H GLY 59 3.056 8.710 3.626 430 HA2 GLY 59 2HA GLY 59 1.696 9.046 6.042 431 HA3 GLY 59 1HA GLY 59 1.275 9.845 4.531 432 H VAL 60 H VAL 60 0.671 7.564 3.021 433 HA VAL 60 HA VAL 60 -2.027 7.108 3.761 434 HB VAL 60 HB VAL 60 -0.210 5.980 1.647 435 HG11 VAL 60 1HG1 VAL 60 -1.632 4.112 2.352 436 HG12 VAL 60 2HG1 VAL 60 -2.071 4.680 0.741 437 HG13 VAL 60 3HG1 VAL 60 -3.064 5.117 2.132 438 HG21 VAL 60 3HG2 VAL 60 -2.719 7.649 1.607 439 HG22 VAL 60 1HG2 VAL 60 -1.904 7.039 0.166 440 HG23 VAL 60 2HG2 VAL 60 -1.079 8.175 1.232 441 H SER 61 H SER 61 -3.016 5.239 4.579 442 HA SER 61 HA SER 61 -1.302 3.638 6.269 443 HB2 SER 61 2HB SER 61 -3.493 4.493 7.075 444 HB3 SER 61 1HB SER 61 -4.295 3.453 5.901 445 HG SER 61 HG SER 61 -2.545 2.533 7.934 446 H PHE 62 H PHE 62 -0.138 2.255 5.052 447 HA PHE 62 HA PHE 62 -1.104 0.798 2.847 448 HB2 PHE 62 2HB PHE 62 0.930 -0.710 3.425 449 HB3 PHE 62 1HB PHE 62 1.215 0.959 2.931 450 HD1 PHE 62 2HD PHE 62 1.142 -1.340 5.810 451 HD2 PHE 62 1HD PHE 62 2.165 2.549 4.421 452 HE1 PHE 62 2HE PHE 62 2.400 -0.933 7.884 453 HE2 PHE 62 1HE PHE 62 3.423 2.962 6.492 454 HZ PHE 62 HZ PHE 62 3.542 1.220 8.228 455 H GLY 63 H GLY 63 -2.255 -1.003 2.698 456 HA2 GLY 63 2HA GLY 63 -2.345 -2.875 4.937 457 HA3 GLY 63 1HA GLY 63 -3.866 -2.130 4.461 458 H ILE 64 H ILE 64 -3.445 -4.887 4.398 459 HA ILE 64 HA ILE 64 -4.128 -5.415 1.662 460 HB ILE 64 HB ILE 64 -1.506 -5.493 1.968 461 HG12 ILE 64 2HG1 ILE 64 -3.052 -7.617 0.476 462 HG13 ILE 64 1HG1 ILE 64 -2.726 -5.987 -0.099 463 HG21 ILE 64 1HG2 ILE 64 -1.453 -7.041 3.823 464 HG22 ILE 64 2HG2 ILE 64 -0.700 -7.774 2.408 465 HG23 ILE 64 3HG2 ILE 64 -2.331 -8.242 2.880 466 HD11 ILE 64 3HD1 ILE 64 -0.688 -8.138 0.431 467 HD12 ILE 64 1HD1 ILE 64 -0.319 -6.485 -0.067 468 HD13 ILE 64 2HD1 ILE 64 -1.223 -7.551 -1.143 469 H SER 65 H SER 65 -5.269 -7.335 1.429 470 HA SER 65 HA SER 65 -5.470 -9.106 3.735 471 HB2 SER 65 2HB SER 65 -7.164 -7.440 4.228 472 HB3 SER 65 1HB SER 65 -7.843 -7.606 2.608 473 HG SER 65 HG SER 65 -9.095 -8.938 3.723 474 H THR 66 H THR 66 -6.540 -11.092 3.312 475 HA THR 66 HA THR 66 -7.069 -11.716 0.501 476 HB THR 66 HB THR 66 -5.804 -13.829 0.682 477 HG1 THR 66 1HG THR 66 -4.164 -13.658 2.544 478 HG21 THR 66 3HG2 THR 66 -4.053 -11.454 1.294 479 HG22 THR 66 1HG2 THR 66 -4.791 -11.759 -0.279 480 HG23 THR 66 2HG2 THR 66 -3.619 -12.899 0.382 481 H ASP 67 H ASP 67 -8.164 -11.659 3.547 482 HA ASP 67 HA ASP 67 -9.346 -14.246 3.814 483 HB2 ASP 67 2HB ASP 67 -8.849 -12.736 5.739 484 HB3 ASP 67 1HB ASP 67 -10.135 -11.668 5.185 485 H SER 68 H SER 68 -11.443 -14.889 3.434 486 HA SER 68 HA SER 68 -12.742 -13.744 1.209 487 HB2 SER 68 2HB SER 68 -14.535 -15.391 1.680 488 HB3 SER 68 1HB SER 68 -12.930 -16.126 1.712 489 HG SER 68 HG SER 68 -14.319 -16.727 3.491 490 H GLU 69 H GLU 69 -13.682 -13.837 4.651 491 HA GLU 69 HA GLU 69 -16.066 -12.483 4.530 492 HB2 GLU 69 2HB GLU 69 -13.982 -12.170 6.687 493 HB3 GLU 69 1HB GLU 69 -15.697 -11.816 6.837 494 HG2 GLU 69 2HG GLU 69 -16.213 -14.179 6.457 495 HG3 GLU 69 1HG GLU 69 -14.489 -14.527 6.336 496 H VAL 70 H VAL 70 -12.818 -11.068 4.649 497 HA VAL 70 HA VAL 70 -13.773 -8.390 4.752 498 HB VAL 70 HB VAL 70 -11.063 -9.492 4.009 499 HG11 VAL 70 1HG1 VAL 70 -10.251 -7.166 4.324 500 HG12 VAL 70 2HG1 VAL 70 -11.930 -6.631 4.388 501 HG13 VAL 70 3HG1 VAL 70 -11.294 -7.366 2.916 502 HG21 VAL 70 3HG2 VAL 70 -10.380 -8.880 6.197 503 HG22 VAL 70 1HG2 VAL 70 -11.896 -9.764 6.373 504 HG23 VAL 70 2HG2 VAL 70 -11.880 -8.002 6.493 505 H LEU 71 H LEU 71 -12.279 -10.300 2.144 506 HA LEU 71 HA LEU 71 -12.607 -8.416 0.107 507 HB2 LEU 71 2HB LEU 71 -12.242 -11.374 0.197 508 HB3 LEU 71 1HB LEU 71 -12.705 -10.640 -1.326 509 HG LEU 71 HG LEU 71 -10.709 -9.351 -1.425 510 HD11 LEU 71 1HD1 LEU 71 -10.545 -8.636 0.867 511 HD12 LEU 71 2HD1 LEU 71 -9.026 -9.390 0.378 512 HD13 LEU 71 3HD1 LEU 71 -10.166 -10.278 1.389 513 HD21 LEU 71 3HD2 LEU 71 -10.393 -11.613 -2.142 514 HD22 LEU 71 1HD2 LEU 71 -10.131 -12.153 -0.483 515 HD23 LEU 71 2HD2 LEU 71 -8.951 -11.099 -1.266 516 H THR 72 H THR 72 -14.906 -10.234 1.788 517 HA THR 72 HA THR 72 -16.911 -10.132 -0.323 518 HB THR 72 HB THR 72 -17.080 -11.154 2.523 519 HG1 THR 72 1HG THR 72 -17.379 -12.868 0.359 520 HG21 THR 72 3HG2 THR 72 -19.222 -12.163 1.786 521 HG22 THR 72 1HG2 THR 72 -19.085 -11.286 0.261 522 HG23 THR 72 2HG2 THR 72 -19.264 -10.399 1.776 523 H HIS 73 H HIS 73 -16.215 -8.730 2.840 524 HA HIS 73 HA HIS 73 -18.565 -7.240 3.152 525 HB2 HIS 73 2HB HIS 73 -16.940 -7.646 4.966 526 HB3 HIS 73 1HB HIS 73 -15.783 -6.595 4.156 527 HD1 HIS 73 1HD HIS 73 -15.739 -4.310 5.080 528 HD2 HIS 73 2HD HIS 73 -19.476 -6.071 5.527 529 HE1 HIS 73 1HE HIS 73 -17.134 -2.621 6.317 530 HE2 HIS 73 2HE HIS 73 -19.375 -3.733 6.628 531 H TYR 74 H TYR 74 -15.515 -6.511 1.531 532 HA TYR 74 HA TYR 74 -16.506 -3.882 0.745 533 HB2 TYR 74 2HB TYR 74 -13.847 -5.261 0.379 534 HB3 TYR 74 1HB TYR 74 -14.221 -3.702 -0.350 535 HD1 TYR 74 1HD TYR 74 -13.952 -5.461 2.910 536 HD2 TYR 74 2HD TYR 74 -13.994 -1.717 0.889 537 HE1 TYR 74 1HE TYR 74 -13.275 -4.338 4.990 538 HE2 TYR 74 2HE TYR 74 -13.315 -0.584 2.962 539 HH TYR 74 HH TYR 74 -12.141 -2.235 5.662 540 H ASN 75 H ASN 75 -17.269 -6.748 -0.255 541 HA ASN 75 HA ASN 75 -18.075 -7.659 -2.171 542 HB2 ASN 75 2HB ASN 75 -19.165 -5.347 -2.153 543 HB3 ASN 75 1HB ASN 75 -17.982 -4.909 -3.381 544 HD21 ASN 75 1HD2 ASN 75 -20.740 -6.895 -2.641 545 HD22 ASN 75 2HD2 ASN 75 -21.134 -7.306 -4.271 546 H ILE 76 H ILE 76 -15.109 -7.157 -1.825 547 HA ILE 76 HA ILE 76 -13.870 -6.580 -4.257 548 HB ILE 76 HB ILE 76 -12.904 -8.572 -2.206 549 HG12 ILE 76 2HG1 ILE 76 -13.490 -6.440 -1.146 550 HG13 ILE 76 1HG1 ILE 76 -11.754 -6.692 -1.143 551 HG21 ILE 76 1HG2 ILE 76 -10.661 -7.844 -3.010 552 HG22 ILE 76 2HG2 ILE 76 -11.471 -6.968 -4.306 553 HG23 ILE 76 3HG2 ILE 76 -11.616 -8.720 -4.205 554 HD11 ILE 76 3HD1 ILE 76 -11.505 -5.152 -2.999 555 HD12 ILE 76 1HD1 ILE 76 -12.351 -4.381 -1.658 556 HD13 ILE 76 2HD1 ILE 76 -13.254 -4.932 -3.069 557 H THR 77 H THR 77 -13.911 -7.588 -6.155 558 HA THR 77 HA THR 77 -14.117 -10.504 -6.247 559 HB THR 77 HB THR 77 -15.779 -10.351 -8.114 560 HG1 THR 77 1HG THR 77 -15.338 -7.978 -8.359 561 HG21 THR 77 3HG2 THR 77 -16.666 -9.299 -5.429 562 HG22 THR 77 1HG2 THR 77 -16.507 -10.993 -5.891 563 HG23 THR 77 2HG2 THR 77 -17.730 -9.981 -6.658 564 H GLY 78 H GLY 78 -11.766 -9.557 -6.669 565 HA2 GLY 78 2HA GLY 78 -10.791 -10.362 -9.016 566 HA3 GLY 78 1HA GLY 78 -11.388 -8.766 -9.447 567 H ASN 79 H ASN 79 -9.782 -9.880 -6.476 568 HA ASN 79 HA ASN 79 -7.989 -9.047 -5.343 569 HB2 ASN 79 2HB ASN 79 -6.868 -8.696 -8.127 570 HB3 ASN 79 1HB ASN 79 -5.943 -8.848 -6.639 571 HD21 ASN 79 1HD2 ASN 79 -5.778 -10.470 -9.005 572 HD22 ASN 79 2HD2 ASN 79 -6.156 -12.088 -8.531 573 H THR 80 H THR 80 -9.977 -7.212 -5.686 574 HA THR 80 HA THR 80 -9.158 -4.741 -6.808 575 HB THR 80 HB THR 80 -11.268 -5.351 -4.726 576 HG1 THR 80 1HG THR 80 -12.195 -6.188 -6.428 577 HG21 THR 80 3HG2 THR 80 -10.669 -2.981 -4.678 578 HG22 THR 80 1HG2 THR 80 -12.278 -3.207 -5.362 579 HG23 THR 80 2HG2 THR 80 -10.907 -2.876 -6.421 580 H ILE 81 H ILE 81 -8.641 -2.795 -5.758 581 HA ILE 81 HA ILE 81 -7.440 -3.037 -3.073 582 HB ILE 81 HB ILE 81 -6.508 -1.361 -5.416 583 HG12 ILE 81 2HG1 ILE 81 -5.172 -3.609 -3.896 584 HG13 ILE 81 1HG1 ILE 81 -5.812 -3.708 -5.531 585 HG21 ILE 81 1HG2 ILE 81 -5.422 -1.423 -2.604 586 HG22 ILE 81 2HG2 ILE 81 -6.352 -0.106 -3.318 587 HG23 ILE 81 3HG2 ILE 81 -4.759 -0.509 -3.958 588 HD11 ILE 81 3HD1 ILE 81 -3.472 -2.077 -4.591 589 HD12 ILE 81 1HD1 ILE 81 -4.168 -1.981 -6.210 590 HD13 ILE 81 2HD1 ILE 81 -3.443 -3.489 -5.647 591 H CYS 82 H CYS 82 -8.529 -1.834 -1.615 592 HA CYS 82 HA CYS 82 -10.137 0.387 -2.664 593 HB2 CYS 82 2HB CYS 82 -10.479 -1.183 -0.117 594 HB3 CYS 82 1HB CYS 82 -11.494 0.167 -0.612 595 HG CYS 82 HG CYS 82 -12.836 -1.067 -2.548 596 H LEU 83 H LEU 83 -9.881 2.397 -2.029 597 HA LEU 83 HA LEU 83 -7.905 2.975 0.066 598 HB2 LEU 83 2HB LEU 83 -7.053 3.920 -1.863 599 HB3 LEU 83 1HB LEU 83 -8.633 4.307 -2.504 600 HG LEU 83 HG LEU 83 -8.841 6.212 -1.057 601 HD11 LEU 83 1HD1 LEU 83 -6.124 5.695 0.104 602 HD12 LEU 83 2HD1 LEU 83 -7.590 5.084 0.869 603 HD13 LEU 83 3HD1 LEU 83 -7.370 6.820 0.648 604 HD21 LEU 83 3HD2 LEU 83 -6.837 7.530 -1.779 605 HD22 LEU 83 1HD2 LEU 83 -7.676 6.672 -3.073 606 HD23 LEU 83 2HD2 LEU 83 -6.168 6.031 -2.422 607 H PHE 84 H PHE 84 -9.032 3.308 1.918 608 HA PHE 84 HA PHE 84 -11.503 4.870 1.802 609 HB2 PHE 84 2HB PHE 84 -11.182 2.598 3.085 610 HB3 PHE 84 1HB PHE 84 -10.472 3.629 4.323 611 HD1 PHE 84 1HD PHE 84 -11.855 5.448 5.336 612 HD2 PHE 84 2HD PHE 84 -13.510 2.484 2.770 613 HE1 PHE 84 1HE PHE 84 -14.106 5.989 6.169 614 HE2 PHE 84 2HE PHE 84 -15.763 3.019 3.598 615 HZ PHE 84 HZ PHE 84 -16.064 4.774 5.299 616 H ARG 85 H ARG 85 -11.431 6.975 2.220 617 HA ARG 85 HA ARG 85 -9.109 8.036 3.673 618 HB2 ARG 85 2HB ARG 85 -10.974 9.939 2.407 619 HB3 ARG 85 1HB ARG 85 -9.217 9.900 2.396 620 HG2 ARG 85 2HG ARG 85 -9.270 8.131 0.705 621 HG3 ARG 85 1HG ARG 85 -11.038 8.213 0.695 622 HD2 ARG 85 2HD ARG 85 -9.087 10.355 -0.133 623 HD3 ARG 85 1HD ARG 85 -10.230 9.488 -1.158 624 HE ARG 85 HE ARG 85 -11.540 10.914 0.937 625 HH11 ARG 85 1HH1 ARG 85 -10.069 11.259 -2.202 626 HH12 ARG 85 2HH1 ARG 85 -10.983 12.671 -2.620 627 HH21 ARG 85 1HH2 ARG 85 -12.747 12.778 0.396 628 HH22 ARG 85 2HH2 ARG 85 -12.503 13.534 -1.143 629 H LEU 86 H LEU 86 -9.969 7.368 5.700 630 HA LEU 86 HA LEU 86 -12.164 7.596 7.059 631 HB2 LEU 86 2HB LEU 86 -10.321 7.119 8.353 632 HB3 LEU 86 1HB LEU 86 -9.438 8.529 7.809 633 HG LEU 86 HG LEU 86 -10.963 9.948 9.180 634 HD11 LEU 86 1HD1 LEU 86 -12.881 8.476 9.298 635 HD12 LEU 86 2HD1 LEU 86 -12.302 8.846 10.922 636 HD13 LEU 86 3HD1 LEU 86 -11.939 7.281 10.193 637 HD21 LEU 86 3HD2 LEU 86 -9.403 7.798 10.602 638 HD22 LEU 86 1HD2 LEU 86 -9.970 9.293 11.348 639 HD23 LEU 86 2HD2 LEU 86 -8.794 9.355 10.034 640 H VAL 87 H VAL 87 -10.222 10.573 6.705 641 HA VAL 87 HA VAL 87 -11.781 12.414 7.894 642 HB VAL 87 HB VAL 87 -11.152 13.860 5.691 643 HG11 VAL 87 1HG1 VAL 87 -10.466 14.390 7.942 644 HG12 VAL 87 2HG1 VAL 87 -9.059 14.421 6.879 645 HG13 VAL 87 3HG1 VAL 87 -9.326 13.044 7.947 646 HG21 VAL 87 3HG2 VAL 87 -9.263 11.516 5.783 647 HG22 VAL 87 1HG2 VAL 87 -8.932 13.027 4.933 648 HG23 VAL 87 2HG2 VAL 87 -10.287 12.016 4.434 649 H ASP 88 H ASP 88 -12.129 11.781 4.399 650 HA ASP 88 HA ASP 88 -14.803 12.920 4.503 651 HB2 ASP 88 2HB ASP 88 -12.966 12.154 2.244 652 HB3 ASP 88 1HB ASP 88 -14.652 12.589 1.968 653 H ASN 89 H ASN 89 -13.592 10.030 5.153 654 HA ASN 89 HA ASN 89 -14.320 7.879 5.150 655 HB2 ASN 89 2HB ASN 89 -17.028 9.192 4.901 656 HB3 ASN 89 1HB ASN 89 -16.704 7.568 5.505 657 HD21 ASN 89 1HD2 ASN 89 -16.515 10.970 6.170 658 HD22 ASN 89 2HD2 ASN 89 -16.192 10.829 7.860 659 H GLU 90 H GLU 90 -13.694 9.031 2.518 660 HA GLU 90 HA GLU 90 -15.607 7.965 0.657 661 HB2 GLU 90 2HB GLU 90 -12.754 8.819 0.145 662 HB3 GLU 90 1HB GLU 90 -14.013 8.592 -1.061 663 HG2 GLU 90 2HG GLU 90 -14.094 10.633 1.136 664 HG3 GLU 90 1HG GLU 90 -13.575 10.952 -0.516 665 H GLN 91 H GLN 91 -15.236 6.212 -0.797 666 HA GLN 91 HA GLN 91 -13.162 4.310 0.029 667 HB2 GLN 91 2HB GLN 91 -15.272 3.658 1.124 668 HB3 GLN 91 1HB GLN 91 -16.059 3.587 -0.447 669 HG2 GLN 91 2HG GLN 91 -13.619 1.944 -0.014 670 HG3 GLN 91 1HG GLN 91 -15.129 1.428 0.737 671 HE21 GLN 91 1HE2 GLN 91 -13.550 0.191 -1.392 672 HE22 GLN 91 2HE2 GLN 91 -14.617 0.026 -2.741 673 H LEU 92 H LEU 92 -11.943 4.630 -1.788 674 HA LEU 92 HA LEU 92 -13.143 4.457 -4.415 675 HB2 LEU 92 2HB LEU 92 -10.228 4.612 -3.629 676 HB3 LEU 92 1HB LEU 92 -10.862 4.789 -5.251 677 HG LEU 92 HG LEU 92 -10.351 6.967 -4.522 678 HD11 LEU 92 1HD1 LEU 92 -12.487 6.854 -5.648 679 HD12 LEU 92 2HD1 LEU 92 -12.520 8.103 -4.402 680 HD13 LEU 92 3HD1 LEU 92 -13.305 6.551 -4.114 681 HD21 LEU 92 3HD2 LEU 92 -10.855 7.913 -2.435 682 HD22 LEU 92 1HD2 LEU 92 -10.246 6.296 -2.084 683 HD23 LEU 92 2HD2 LEU 92 -11.978 6.617 -2.025 684 H ASN 93 H ASN 93 -13.117 2.664 -5.726 685 HA ASN 93 HA ASN 93 -11.822 0.277 -4.581 686 HB2 ASN 93 2HB ASN 93 -13.662 -0.921 -6.019 687 HB3 ASN 93 1HB ASN 93 -14.052 -0.280 -4.429 688 HD21 ASN 93 1HD2 ASN 93 -15.316 1.573 -4.267 689 HD22 ASN 93 2HD2 ASN 93 -16.248 2.168 -5.593 690 H LEU 94 H LEU 94 -9.980 0.122 -5.676 691 HA LEU 94 HA LEU 94 -9.874 0.401 -8.559 692 HB2 LEU 94 2HB LEU 94 -8.063 1.058 -6.793 693 HB3 LEU 94 1HB LEU 94 -7.661 -0.646 -6.811 694 HG LEU 94 HG LEU 94 -7.749 0.764 -9.423 695 HD11 LEU 94 1HD1 LEU 94 -6.550 2.379 -8.105 696 HD12 LEU 94 2HD1 LEU 94 -5.387 1.478 -9.080 697 HD13 LEU 94 3HD1 LEU 94 -5.571 1.111 -7.365 698 HD21 LEU 94 3HD2 LEU 94 -7.308 -1.653 -9.220 699 HD22 LEU 94 1HD2 LEU 94 -5.894 -1.293 -8.228 700 HD23 LEU 94 2HD2 LEU 94 -5.946 -0.773 -9.914 701 H GLU 95 H GLU 95 -11.411 -1.295 -8.965 702 HA GLU 95 HA GLU 95 -10.844 -3.990 -8.132 703 HB2 GLU 95 2HB GLU 95 -12.908 -3.049 -10.115 704 HB3 GLU 95 1HB GLU 95 -12.876 -4.585 -9.259 705 HG2 GLU 95 2HG GLU 95 -13.305 -3.517 -7.178 706 HG3 GLU 95 1HG GLU 95 -13.117 -1.918 -7.898 707 H ASP 96 H ASP 96 -11.660 -5.457 -10.299 708 HA ASP 96 HA ASP 96 -9.310 -6.071 -11.596 709 HB2 ASP 96 2HB ASP 96 -11.179 -7.610 -11.530 710 HB3 ASP 96 1HB ASP 96 -12.146 -6.531 -12.531 711 H GLU 97 H GLU 97 -11.807 -3.788 -12.591 712 HA GLU 97 HA GLU 97 -11.019 -3.344 -15.223 713 HB2 GLU 97 2HB GLU 97 -12.059 -1.273 -13.277 714 HB3 GLU 97 1HB GLU 97 -12.113 -1.172 -15.032 715 HG2 GLU 97 2HG GLU 97 -13.627 -3.062 -15.121 716 HG3 GLU 97 1HG GLU 97 -13.533 -3.240 -13.369 717 H ASP 98 H ASP 98 -9.379 -2.733 -12.352 718 HA ASP 98 HA ASP 98 -7.366 -1.128 -13.759 719 HB2 ASP 98 2HB ASP 98 -8.352 -0.715 -10.923 720 HB3 ASP 98 1HB ASP 98 -6.980 0.126 -11.649 721 H ILE 99 H ILE 99 -8.067 -3.863 -11.870 722 HA ILE 99 HA ILE 99 -5.381 -4.145 -10.788 723 HB ILE 99 HB ILE 99 -7.826 -5.899 -10.557 724 HG12 ILE 99 2HG1 ILE 99 -7.808 -3.727 -9.323 725 HG13 ILE 99 1HG1 ILE 99 -7.947 -5.143 -8.293 726 HG21 ILE 99 1HG2 ILE 99 -5.065 -6.287 -9.424 727 HG22 ILE 99 2HG2 ILE 99 -5.977 -7.389 -10.459 728 HG23 ILE 99 3HG2 ILE 99 -6.497 -7.103 -8.798 729 HD11 ILE 99 3HD1 ILE 99 -6.461 -3.570 -7.282 730 HD12 ILE 99 1HD1 ILE 99 -5.489 -3.474 -8.752 731 HD13 ILE 99 2HD1 ILE 99 -5.526 -4.968 -7.815 732 H GLU 100 H GLU 100 -7.427 -5.536 -13.289 733 HA GLU 100 HA GLU 100 -6.048 -7.811 -13.982 734 HB2 GLU 100 2HB GLU 100 -8.176 -7.041 -15.015 735 HB3 GLU 100 1HB GLU 100 -7.271 -5.838 -15.922 736 HG2 GLU 100 2HG GLU 100 -5.964 -7.720 -16.934 737 HG3 GLU 100 1HG GLU 100 -7.098 -8.829 -16.165 738 H SER 101 H SER 101 -5.386 -4.482 -14.995 739 HA SER 101 HA SER 101 -2.704 -5.355 -15.845 740 HB2 SER 101 2HB SER 101 -4.421 -3.200 -17.108 741 HB3 SER 101 1HB SER 101 -2.759 -3.575 -17.564 742 HG SER 101 HG SER 101 -3.429 -5.273 -18.623 743 H ILE 102 H ILE 102 -3.298 -4.565 -13.251 744 HA ILE 102 HA ILE 102 -2.890 -1.821 -12.748 745 HB ILE 102 HB ILE 102 -3.852 -3.325 -11.077 746 HG12 ILE 102 2HG1 ILE 102 -2.415 -2.562 -9.123 747 HG13 ILE 102 1HG1 ILE 102 -1.300 -1.903 -10.316 748 HG21 ILE 102 1HG2 ILE 102 -2.581 -5.324 -11.441 749 HG22 ILE 102 2HG2 ILE 102 -2.314 -4.802 -9.778 750 HG23 ILE 102 3HG2 ILE 102 -1.079 -4.512 -11.002 751 HD11 ILE 102 3HD1 ILE 102 -2.978 -0.395 -11.128 752 HD12 ILE 102 1HD1 ILE 102 -2.831 -0.224 -9.379 753 HD13 ILE 102 2HD1 ILE 102 -4.186 -1.116 -10.068 754 H ASP 103 H ASP 103 -1.100 -0.664 -12.216 755 HA ASP 103 HA ASP 103 1.512 -1.978 -12.306 756 HB2 ASP 103 2HB ASP 103 0.856 0.535 -13.857 757 HB3 ASP 103 1HB ASP 103 2.427 -0.256 -13.766 758 H ALA 104 H ALA 104 3.148 -0.860 -11.122 759 HA ALA 104 HA ALA 104 2.382 0.297 -8.760 760 HB1 ALA 104 1HB ALA 104 4.680 1.157 -8.562 761 HB2 ALA 104 2HB ALA 104 4.953 0.751 -10.258 762 HB3 ALA 104 3HB ALA 104 4.613 -0.526 -9.087 763 H THR 105 H THR 105 3.011 1.876 -11.833 764 HA THR 105 HA THR 105 2.894 4.544 -10.968 765 HB THR 105 HB THR 105 2.071 3.375 -13.632 766 HG1 THR 105 1HG THR 105 4.176 3.137 -13.765 767 HG21 THR 105 3HG2 THR 105 2.481 5.696 -14.457 768 HG22 THR 105 1HG2 THR 105 2.573 6.216 -12.773 769 HG23 THR 105 2HG2 THR 105 1.074 5.534 -13.405 770 H LYS 106 H LYS 106 0.375 2.370 -12.191 771 HA LYS 106 HA LYS 106 -1.761 4.169 -12.095 772 HB2 LYS 106 2HB LYS 106 -1.813 1.165 -11.731 773 HB3 LYS 106 1HB LYS 106 -3.201 2.175 -12.121 774 HG2 LYS 106 2HG LYS 106 -2.237 2.769 -14.243 775 HG3 LYS 106 1HG LYS 106 -0.754 1.898 -13.850 776 HD2 LYS 106 2HD LYS 106 -1.990 0.458 -15.261 777 HD3 LYS 106 1HD LYS 106 -2.198 -0.177 -13.629 778 HE2 LYS 106 2HE LYS 106 -4.373 0.886 -13.467 779 HE3 LYS 106 1HE LYS 106 -4.160 1.614 -15.059 780 HZ1 LYS 106 3HZ LYS 106 -5.548 -0.355 -15.172 781 HZ2 LYS 106 1HZ LYS 106 -4.316 -1.299 -14.494 782 HZ3 LYS 106 2HZ LYS 106 -4.105 -0.603 -16.022 783 H LEU 107 H LEU 107 -1.039 1.568 -9.735 784 HA LEU 107 HA LEU 107 -2.902 2.217 -7.823 785 HB2 LEU 107 2HB LEU 107 -0.767 0.479 -7.969 786 HB3 LEU 107 1HB LEU 107 -0.293 1.549 -6.667 787 HG LEU 107 HG LEU 107 -2.549 -0.404 -6.783 788 HD11 LEU 107 1HD1 LEU 107 -0.637 -1.215 -5.698 789 HD12 LEU 107 2HD1 LEU 107 -1.719 -0.724 -4.397 790 HD13 LEU 107 3HD1 LEU 107 -0.361 0.308 -4.855 791 HD21 LEU 107 3HD2 LEU 107 -3.718 1.632 -6.226 792 HD22 LEU 107 1HD2 LEU 107 -2.498 2.046 -5.022 793 HD23 LEU 107 2HD2 LEU 107 -3.547 0.650 -4.772 794 H SER 108 H SER 108 0.471 3.363 -7.917 795 HA SER 108 HA SER 108 0.299 5.142 -5.772 796 HB2 SER 108 2HB SER 108 2.054 5.310 -8.231 797 HB3 SER 108 1HB SER 108 2.310 6.202 -6.731 798 HG SER 108 HG SER 108 2.161 3.836 -5.872 799 H ARG 109 H ARG 109 -0.670 5.471 -9.106 800 HA ARG 109 HA ARG 109 -0.951 8.291 -9.110 801 HB2 ARG 109 2HB ARG 109 -0.751 6.898 -11.167 802 HB3 ARG 109 1HB ARG 109 -2.347 6.246 -10.844 803 HG2 ARG 109 2HG ARG 109 -1.939 9.194 -11.136 804 HG3 ARG 109 1HG ARG 109 -2.095 8.154 -12.553 805 HD2 ARG 109 2HD ARG 109 -4.223 7.273 -11.458 806 HD3 ARG 109 1HD ARG 109 -4.095 8.655 -10.366 807 HE ARG 109 HE ARG 109 -3.936 9.805 -12.798 808 HH11 ARG 109 1HH1 ARG 109 -6.180 7.533 -11.404 809 HH12 ARG 109 2HH1 ARG 109 -7.519 8.071 -12.361 810 HH21 ARG 109 1HH2 ARG 109 -5.690 10.516 -14.065 811 HH22 ARG 109 2HH2 ARG 109 -7.239 9.766 -13.877 812 H PHE 110 H PHE 110 -3.475 5.794 -9.262 813 HA PHE 110 HA PHE 110 -5.686 7.262 -8.710 814 HB2 PHE 110 2HB PHE 110 -4.949 4.464 -7.874 815 HB3 PHE 110 1HB PHE 110 -6.514 5.159 -7.447 816 HD1 PHE 110 1HD PHE 110 -8.129 5.745 -9.202 817 HD2 PHE 110 2HD PHE 110 -4.461 3.788 -10.109 818 HE1 PHE 110 1HE PHE 110 -9.012 5.121 -11.411 819 HE2 PHE 110 2HE PHE 110 -5.337 3.162 -12.321 820 HZ PHE 110 HZ PHE 110 -7.615 3.829 -12.974 821 H ILE 111 H ILE 111 -3.411 5.948 -6.326 822 HA ILE 111 HA ILE 111 -4.744 6.912 -4.039 823 HB ILE 111 HB ILE 111 -1.805 6.356 -4.490 824 HG12 ILE 111 2HG1 ILE 111 -3.867 4.742 -2.983 825 HG13 ILE 111 1HG1 ILE 111 -3.458 4.460 -4.666 826 HG21 ILE 111 1HG2 ILE 111 -2.051 7.921 -2.656 827 HG22 ILE 111 2HG2 ILE 111 -1.621 6.326 -2.036 828 HG23 ILE 111 3HG2 ILE 111 -3.284 6.896 -1.917 829 HD11 ILE 111 3HD1 ILE 111 -1.160 3.970 -4.035 830 HD12 ILE 111 1HD1 ILE 111 -2.300 2.915 -3.200 831 HD13 ILE 111 2HD1 ILE 111 -1.563 4.269 -2.344 832 H GLU 112 H GLU 112 -1.962 8.227 -5.824 833 HA GLU 112 HA GLU 112 -1.670 10.616 -4.462 834 HB2 GLU 112 2HB GLU 112 -0.150 9.696 -6.246 835 HB3 GLU 112 1HB GLU 112 -1.321 10.244 -7.442 836 HG2 GLU 112 2HG GLU 112 -1.017 12.555 -6.612 837 HG3 GLU 112 1HG GLU 112 0.243 11.964 -5.529 838 H ILE 113 H ILE 113 -4.162 9.569 -6.527 839 HA ILE 113 HA ILE 113 -5.105 12.223 -7.200 840 HB ILE 113 HB ILE 113 -5.651 9.482 -8.104 841 HG12 ILE 113 2HG1 ILE 113 -5.900 10.613 -10.264 842 HG13 ILE 113 1HG1 ILE 113 -5.845 12.177 -9.458 843 HG21 ILE 113 1HG2 ILE 113 -7.889 11.482 -7.970 844 HG22 ILE 113 2HG2 ILE 113 -7.843 9.862 -7.275 845 HG23 ILE 113 3HG2 ILE 113 -7.882 10.069 -9.024 846 HD11 ILE 113 3HD1 ILE 113 -3.614 10.158 -9.497 847 HD12 ILE 113 1HD1 ILE 113 -3.560 11.762 -8.766 848 HD13 ILE 113 2HD1 ILE 113 -3.719 11.596 -10.515 849 H ASN 114 H ASN 114 -5.999 9.547 -5.063 850 HA ASN 114 HA ASN 114 -8.057 11.310 -3.905 851 HB2 ASN 114 2HB ASN 114 -8.170 8.311 -4.243 852 HB3 ASN 114 1HB ASN 114 -9.331 9.254 -3.308 853 HD21 ASN 114 1HD2 ASN 114 -9.609 7.600 -5.760 854 HD22 ASN 114 2HD2 ASN 114 -10.359 8.638 -6.919 855 H SER 115 H SER 115 -5.236 10.959 -3.105 856 HA SER 115 HA SER 115 -5.350 9.514 -0.607 857 HB2 SER 115 2HB SER 115 -3.037 10.243 -0.305 858 HB3 SER 115 1HB SER 115 -3.262 9.630 -1.944 859 HG SER 115 HG SER 115 -3.729 12.039 -2.339 860 H LEU 116 H LEU 116 -7.301 11.521 -0.851 861 HA LEU 116 HA LEU 116 -6.441 13.793 0.725 862 HB2 LEU 116 2HB LEU 116 -9.213 13.082 -0.216 863 HB3 LEU 116 1HB LEU 116 -8.666 14.643 0.371 864 HG LEU 116 HG LEU 116 -7.769 13.313 -2.186 865 HD11 LEU 116 1HD1 LEU 116 -10.064 14.093 -2.317 866 HD12 LEU 116 2HD1 LEU 116 -9.004 15.119 -3.286 867 HD13 LEU 116 3HD1 LEU 116 -9.576 15.678 -1.715 868 HD21 LEU 116 3HD2 LEU 116 -7.120 16.041 -1.073 869 HD22 LEU 116 1HD2 LEU 116 -6.641 15.425 -2.655 870 HD23 LEU 116 2HD2 LEU 116 -6.006 14.679 -1.189 Start of MODEL 42 1 H GLU 1 H GLU 1 10.778 -19.767 -8.384 2 HA GLU 1 HA GLU 1 8.130 -20.753 -8.148 3 HB2 GLU 1 2HB GLU 1 8.937 -21.787 -6.064 4 HB3 GLU 1 1HB GLU 1 9.448 -20.211 -5.478 5 HG2 GLU 1 2HG GLU 1 7.353 -20.852 -4.465 6 HG3 GLU 1 1HG GLU 1 7.124 -19.450 -5.509 7 H VAL 2 H VAL 2 10.044 -18.367 -6.305 8 HA VAL 2 HA VAL 2 8.493 -16.238 -7.618 9 HB VAL 2 HB VAL 2 7.597 -16.540 -5.365 10 HG11 VAL 2 1HG1 VAL 2 10.398 -15.961 -4.407 11 HG12 VAL 2 2HG1 VAL 2 9.573 -17.517 -4.312 12 HG13 VAL 2 3HG1 VAL 2 8.971 -16.141 -3.387 13 HG21 VAL 2 3HG2 VAL 2 7.636 -14.294 -6.296 14 HG22 VAL 2 1HG2 VAL 2 9.253 -14.032 -5.641 15 HG23 VAL 2 2HG2 VAL 2 7.882 -14.244 -4.551 16 H GLU 3 H GLU 3 9.640 -14.519 -8.309 17 HA GLU 3 HA GLU 3 12.513 -14.689 -8.240 18 HB2 GLU 3 2HB GLU 3 10.667 -12.621 -9.450 19 HB3 GLU 3 1HB GLU 3 12.413 -12.651 -9.662 20 HG2 GLU 3 2HG GLU 3 10.525 -14.834 -10.523 21 HG3 GLU 3 1HG GLU 3 11.197 -13.590 -11.577 22 H LYS 4 H LYS 4 13.599 -12.340 -8.021 23 HA LYS 4 HA LYS 4 13.655 -11.756 -5.297 24 HB2 LYS 4 2HB LYS 4 14.463 -9.912 -7.554 25 HB3 LYS 4 1HB LYS 4 15.019 -9.830 -5.888 26 HG2 LYS 4 2HG LYS 4 15.544 -12.120 -7.770 27 HG3 LYS 4 1HG LYS 4 16.679 -10.819 -7.405 28 HD2 LYS 4 2HD LYS 4 16.734 -11.482 -5.073 29 HD3 LYS 4 1HD LYS 4 15.521 -12.728 -5.375 30 HE2 LYS 4 2HE LYS 4 17.772 -13.679 -5.270 31 HE3 LYS 4 1HE LYS 4 17.057 -13.884 -6.868 32 HZ1 LYS 4 3HZ LYS 4 18.339 -11.988 -7.644 33 HZ2 LYS 4 1HZ LYS 4 19.361 -13.182 -7.016 34 HZ3 LYS 4 2HZ LYS 4 19.026 -11.794 -6.110 35 H SER 5 H SER 5 12.689 -9.343 -7.720 36 HA SER 5 HA SER 5 11.204 -7.619 -7.627 37 HB2 SER 5 2HB SER 5 9.544 -9.705 -6.193 38 HB3 SER 5 1HB SER 5 8.920 -8.220 -6.911 39 HG SER 5 HG SER 5 9.099 -10.461 -8.116 40 H SER 6 H SER 6 13.133 -7.523 -5.602 41 HA SER 6 HA SER 6 11.912 -5.691 -3.808 42 HB2 SER 6 2HB SER 6 12.363 -6.907 -1.702 43 HB3 SER 6 1HB SER 6 11.157 -7.730 -2.690 44 HG SER 6 HG SER 6 12.616 -9.254 -1.987 45 H ASP 7 H ASP 7 13.430 -4.584 -2.481 46 HA ASP 7 HA ASP 7 16.230 -5.279 -2.648 47 HB2 ASP 7 2HB ASP 7 15.907 -4.111 -4.777 48 HB3 ASP 7 1HB ASP 7 15.205 -2.736 -3.931 49 H GLY 8 H GLY 8 17.251 -4.662 -0.841 50 HA2 GLY 8 2HA GLY 8 17.504 -2.536 0.606 51 HA3 GLY 8 1HA GLY 8 15.811 -2.841 0.968 52 HA PRO 9 HA PRO 9 18.475 -4.787 4.309 53 HB2 PRO 9 2HB PRO 9 15.939 -4.168 5.741 54 HB3 PRO 9 1HB PRO 9 17.611 -3.949 6.267 55 HG2 PRO 9 2HG PRO 9 16.138 -1.866 5.498 56 HG3 PRO 9 1HG PRO 9 17.860 -1.968 5.090 57 HD2 PRO 9 2HD PRO 9 15.471 -2.426 3.363 58 HD3 PRO 9 1HD PRO 9 17.042 -1.708 2.953 59 H GLY 10 H GLY 10 15.046 -5.193 3.498 60 HA2 GLY 10 2HA GLY 10 14.698 -7.613 2.689 61 HA3 GLY 10 1HA GLY 10 15.220 -8.017 4.318 62 H ALA 11 H ALA 11 13.352 -5.159 3.822 63 HA ALA 11 HA ALA 11 10.806 -6.424 4.327 64 HB1 ALA 11 1HB ALA 11 11.763 -6.358 6.579 65 HB2 ALA 11 2HB ALA 11 10.382 -5.269 6.438 66 HB3 ALA 11 3HB ALA 11 12.022 -4.621 6.420 67 H ALA 12 H ALA 12 12.289 -3.242 4.922 68 HA ALA 12 HA ALA 12 11.738 -1.148 4.226 69 HB1 ALA 12 1HB ALA 12 10.988 -2.529 1.657 70 HB2 ALA 12 2HB ALA 12 12.644 -2.180 2.148 71 HB3 ALA 12 3HB ALA 12 11.511 -0.858 1.862 72 H GLN 13 H GLN 13 9.819 -1.954 5.800 73 HA GLN 13 HA GLN 13 7.633 -1.899 6.391 74 HB2 GLN 13 2HB GLN 13 6.497 0.149 5.894 75 HB3 GLN 13 1HB GLN 13 8.202 0.489 6.131 76 HG2 GLN 13 2HG GLN 13 8.481 0.566 3.674 77 HG3 GLN 13 1HG GLN 13 6.739 0.348 3.504 78 HE21 GLN 13 1HE2 GLN 13 5.351 2.018 4.167 79 HE22 GLN 13 2HE2 GLN 13 5.914 3.639 4.357 80 H GLU 14 H GLU 14 6.111 -3.284 5.960 81 HA GLU 14 HA GLU 14 5.170 -3.555 3.181 82 HB2 GLU 14 2HB GLU 14 4.742 -5.882 3.599 83 HB3 GLU 14 1HB GLU 14 6.391 -5.535 4.099 84 HG2 GLU 14 2HG GLU 14 5.504 -5.304 6.445 85 HG3 GLU 14 1HG GLU 14 3.983 -5.963 5.838 86 HA PRO 15 HA PRO 15 1.090 -2.480 4.455 87 HB2 PRO 15 2HB PRO 15 -0.469 -4.221 3.050 88 HB3 PRO 15 1HB PRO 15 0.338 -2.828 2.325 89 HG2 PRO 15 2HG PRO 15 1.155 -5.701 2.332 90 HG3 PRO 15 1HG PRO 15 1.220 -4.518 1.013 91 HD2 PRO 15 2HD PRO 15 3.400 -5.203 2.458 92 HD3 PRO 15 1HD PRO 15 3.176 -3.577 1.782 93 H THR 16 H THR 16 -0.415 -2.941 5.990 94 HA THR 16 HA THR 16 0.089 -5.013 7.826 95 HB THR 16 HB THR 16 -2.487 -3.456 7.576 96 HG1 THR 16 1HG THR 16 -0.299 -2.703 9.206 97 HG21 THR 16 3HG2 THR 16 -2.659 -3.819 9.970 98 HG22 THR 16 1HG2 THR 16 -1.114 -4.670 9.976 99 HG23 THR 16 2HG2 THR 16 -2.502 -5.367 9.141 100 H TRP 17 H TRP 17 -1.225 -6.797 8.438 101 HA TRP 17 HA TRP 17 -2.601 -8.027 6.166 102 HB2 TRP 17 2HB TRP 17 -1.425 -9.165 8.700 103 HB3 TRP 17 1HB TRP 17 -2.449 -10.113 7.627 104 HD1 TRP 17 HD TRP 17 -1.436 -9.910 4.878 105 HE1 TRP 17 1HE TRP 17 0.990 -10.393 4.171 106 HE3 TRP 17 3HE TRP 17 0.870 -9.282 9.400 107 HZ2 TRP 17 2HZ TRP 17 3.542 -10.493 5.369 108 HZ3 TRP 17 3HZ TRP 17 3.307 -9.589 9.531 109 HH2 TRP 17 HH TRP 17 4.614 -10.183 7.556 110 H LEU 18 H LEU 18 -4.606 -7.072 6.248 111 HA LEU 18 HA LEU 18 -6.163 -7.112 8.701 112 HB2 LEU 18 2HB LEU 18 -7.001 -6.271 5.926 113 HB3 LEU 18 1HB LEU 18 -7.823 -5.902 7.430 114 HG LEU 18 HG LEU 18 -5.067 -4.915 6.702 115 HD11 LEU 18 1HD1 LEU 18 -6.653 -3.892 5.234 116 HD12 LEU 18 2HD1 LEU 18 -6.182 -2.717 6.460 117 HD13 LEU 18 3HD1 LEU 18 -7.738 -3.538 6.576 118 HD21 LEU 18 3HD2 LEU 18 -5.403 -5.117 9.100 119 HD22 LEU 18 1HD2 LEU 18 -6.905 -4.203 8.983 120 HD23 LEU 18 2HD2 LEU 18 -5.368 -3.420 8.620 121 H THR 19 H THR 19 -6.014 -9.496 8.797 122 HA THR 19 HA THR 19 -7.338 -11.115 6.861 123 HB THR 19 HB THR 19 -7.079 -12.941 8.440 124 HG1 THR 19 1HG THR 19 -6.582 -12.603 10.543 125 HG21 THR 19 3HG2 THR 19 -5.102 -12.301 7.172 126 HG22 THR 19 1HG2 THR 19 -4.640 -12.836 8.788 127 HG23 THR 19 2HG2 THR 19 -4.674 -11.114 8.405 128 H ASP 20 H ASP 20 -8.592 -8.992 9.101 129 HA ASP 20 HA ASP 20 -11.168 -10.387 9.013 130 HB2 ASP 20 2HB ASP 20 -9.920 -9.179 11.484 131 HB3 ASP 20 1HB ASP 20 -11.609 -9.666 11.370 132 H VAL 21 H VAL 21 -12.985 -9.096 8.981 133 HA VAL 21 HA VAL 21 -12.808 -6.657 7.668 134 HB VAL 21 HB VAL 21 -15.113 -7.634 9.360 135 HG11 VAL 21 1HG1 VAL 21 -15.352 -5.291 8.848 136 HG12 VAL 21 2HG1 VAL 21 -16.479 -6.219 7.860 137 HG13 VAL 21 3HG1 VAL 21 -14.992 -5.589 7.147 138 HG21 VAL 21 3HG2 VAL 21 -14.455 -9.280 7.686 139 HG22 VAL 21 1HG2 VAL 21 -14.533 -8.045 6.429 140 HG23 VAL 21 2HG2 VAL 21 -16.001 -8.543 7.265 141 HA PRO 22 HA PRO 22 -13.729 -4.517 11.996 142 HB2 PRO 22 2HB PRO 22 -12.518 -5.875 14.079 143 HB3 PRO 22 1HB PRO 22 -14.245 -5.925 13.713 144 HG2 PRO 22 2HG PRO 22 -12.093 -7.870 12.985 145 HG3 PRO 22 1HG PRO 22 -13.751 -8.183 13.535 146 HD2 PRO 22 2HD PRO 22 -13.090 -8.402 10.959 147 HD3 PRO 22 1HD PRO 22 -14.662 -7.731 11.444 148 H ALA 23 H ALA 23 -10.796 -6.543 11.827 149 HA ALA 23 HA ALA 23 -9.041 -4.595 12.848 150 HB1 ALA 23 1HB ALA 23 -7.248 -5.990 12.022 151 HB2 ALA 23 2HB ALA 23 -8.366 -6.856 10.967 152 HB3 ALA 23 3HB ALA 23 -8.508 -7.011 12.719 153 H ALA 24 H ALA 24 -10.194 -5.335 9.654 154 HA ALA 24 HA ALA 24 -8.415 -3.717 8.180 155 HB1 ALA 24 1HB ALA 24 -10.177 -3.804 6.410 156 HB2 ALA 24 2HB ALA 24 -11.234 -4.617 7.566 157 HB3 ALA 24 3HB ALA 24 -9.734 -5.387 7.052 158 H MET 25 H MET 25 -11.785 -3.118 9.138 159 HA MET 25 HA MET 25 -11.894 -0.432 8.383 160 HB2 MET 25 2HB MET 25 -13.462 -1.754 10.603 161 HB3 MET 25 1HB MET 25 -13.913 -0.303 9.717 162 HG2 MET 25 2HG MET 25 -14.026 -1.672 7.649 163 HG3 MET 25 1HG MET 25 -13.730 -3.101 8.632 164 HE1 MET 25 3HE MET 25 -15.349 -2.508 11.273 165 HE2 MET 25 1HE MET 25 -15.417 -4.054 10.427 166 HE3 MET 25 2HE MET 25 -16.909 -3.239 10.894 167 H GLU 26 H GLU 26 -10.545 -1.960 11.198 168 HA GLU 26 HA GLU 26 -10.533 0.363 12.856 169 HB2 GLU 26 2HB GLU 26 -9.222 -2.319 12.963 170 HB3 GLU 26 1HB GLU 26 -8.613 -1.035 14.001 171 HG2 GLU 26 2HG GLU 26 -10.975 -0.735 14.818 172 HG3 GLU 26 1HG GLU 26 -11.367 -2.225 13.960 173 H PHE 27 H PHE 27 -8.000 -1.270 10.952 174 HA PHE 27 HA PHE 27 -6.006 0.633 11.440 175 HB2 PHE 27 2HB PHE 27 -6.421 -1.504 9.418 176 HB3 PHE 27 1HB PHE 27 -5.233 -0.260 9.034 177 HD1 PHE 27 2HD PHE 27 -6.115 -2.937 11.401 178 HD2 PHE 27 1HD PHE 27 -3.155 -0.136 10.181 179 HE1 PHE 27 2HE PHE 27 -4.460 -4.076 12.820 180 HE2 PHE 27 1HE PHE 27 -1.494 -1.267 11.598 181 HZ PHE 27 HZ PHE 27 -2.145 -3.240 12.921 182 H ILE 28 H ILE 28 -8.673 0.562 9.204 183 HA ILE 28 HA ILE 28 -7.789 2.801 7.640 184 HB ILE 28 HB ILE 28 -10.424 1.371 7.904 185 HG12 ILE 28 2HG1 ILE 28 -8.695 1.807 5.467 186 HG13 ILE 28 1HG1 ILE 28 -8.466 0.446 6.563 187 HG21 ILE 28 1HG2 ILE 28 -11.040 3.665 7.600 188 HG22 ILE 28 2HG2 ILE 28 -11.260 2.826 6.067 189 HG23 ILE 28 3HG2 ILE 28 -9.856 3.862 6.310 190 HD11 ILE 28 3HD1 ILE 28 -11.118 0.986 5.285 191 HD12 ILE 28 1HD1 ILE 28 -10.503 -0.517 5.974 192 HD13 ILE 28 2HD1 ILE 28 -9.852 0.087 4.447 193 H ALA 29 H ALA 29 -9.889 2.316 10.420 194 HA ALA 29 HA ALA 29 -10.821 5.009 10.546 195 HB1 ALA 29 1HB ALA 29 -10.837 2.817 12.623 196 HB2 ALA 29 2HB ALA 29 -12.139 3.222 11.502 197 HB3 ALA 29 3HB ALA 29 -11.681 4.362 12.768 198 H ALA 30 H ALA 30 -7.968 3.396 11.556 199 HA ALA 30 HA ALA 30 -7.271 5.449 13.510 200 HB1 ALA 30 1HB ALA 30 -5.318 4.065 13.976 201 HB2 ALA 30 2HB ALA 30 -5.749 2.996 12.641 202 HB3 ALA 30 3HB ALA 30 -6.800 3.111 14.053 203 H THR 31 H THR 31 -7.537 6.161 10.707 204 HA THR 31 HA THR 31 -5.145 7.672 10.398 205 HB THR 31 HB THR 31 -4.266 5.525 9.612 206 HG1 THR 31 1HG THR 31 -3.677 7.564 8.553 207 HG21 THR 31 3HG2 THR 31 -6.347 4.508 8.889 208 HG22 THR 31 1HG2 THR 31 -5.183 4.507 7.572 209 HG23 THR 31 2HG2 THR 31 -6.491 5.683 7.583 210 H GLU 32 H GLU 32 -5.276 9.200 8.715 211 HA GLU 32 HA GLU 32 -7.916 10.005 7.998 212 HB2 GLU 32 2HB GLU 32 -5.816 11.451 8.391 213 HB3 GLU 32 1HB GLU 32 -5.383 11.041 6.736 214 HG2 GLU 32 2HG GLU 32 -7.464 12.018 5.943 215 HG3 GLU 32 1HG GLU 32 -7.915 12.412 7.604 216 H VAL 33 H VAL 33 -5.230 8.504 6.253 217 HA VAL 33 HA VAL 33 -7.103 7.816 4.090 218 HB VAL 33 HB VAL 33 -4.197 8.485 3.634 219 HG11 VAL 33 1HG1 VAL 33 -6.500 8.056 1.733 220 HG12 VAL 33 2HG1 VAL 33 -5.126 6.974 1.986 221 HG13 VAL 33 3HG1 VAL 33 -4.875 8.565 1.267 222 HG21 VAL 33 3HG2 VAL 33 -6.642 10.197 3.244 223 HG22 VAL 33 1HG2 VAL 33 -5.050 10.570 2.582 224 HG23 VAL 33 2HG2 VAL 33 -5.286 10.507 4.328 225 H ALA 34 H ALA 34 -7.006 5.719 3.385 226 HA ALA 34 HA ALA 34 -4.805 4.031 4.312 227 HB1 ALA 34 1HB ALA 34 -6.411 3.763 6.058 228 HB2 ALA 34 2HB ALA 34 -6.439 2.302 5.067 229 HB3 ALA 34 3HB ALA 34 -7.712 3.511 4.894 230 H VAL 35 H VAL 35 -4.121 2.702 2.792 231 HA VAL 35 HA VAL 35 -5.951 2.039 0.585 232 HB VAL 35 HB VAL 35 -2.963 2.460 0.535 233 HG11 VAL 35 1HG1 VAL 35 -3.068 1.806 -1.845 234 HG12 VAL 35 2HG1 VAL 35 -4.745 1.308 -1.618 235 HG13 VAL 35 3HG1 VAL 35 -3.452 0.463 -0.768 236 HG21 VAL 35 3HG2 VAL 35 -4.304 4.463 0.368 237 HG22 VAL 35 1HG2 VAL 35 -5.284 3.732 -0.904 238 HG23 VAL 35 2HG2 VAL 35 -3.584 4.104 -1.203 239 H ILE 36 H ILE 36 -6.325 -0.041 0.197 240 HA ILE 36 HA ILE 36 -4.610 -2.025 1.512 241 HB ILE 36 HB ILE 36 -7.614 -1.911 1.728 242 HG12 ILE 36 2HG1 ILE 36 -5.690 -1.965 4.020 243 HG13 ILE 36 1HG1 ILE 36 -5.978 -0.451 3.174 244 HG21 ILE 36 1HG2 ILE 36 -5.642 -4.020 2.595 245 HG22 ILE 36 2HG2 ILE 36 -7.027 -4.204 1.515 246 HG23 ILE 36 3HG2 ILE 36 -7.284 -3.902 3.235 247 HD11 ILE 36 3HD1 ILE 36 -7.977 -2.134 4.638 248 HD12 ILE 36 1HD1 ILE 36 -8.402 -0.751 3.632 249 HD13 ILE 36 2HD1 ILE 36 -7.395 -0.526 5.064 250 H GLY 37 H GLY 37 -4.240 -3.834 0.417 251 HA2 GLY 37 2HA GLY 37 -5.480 -4.080 -2.225 252 HA3 GLY 37 1HA GLY 37 -3.972 -4.822 -1.729 253 H PHE 38 H PHE 38 -7.400 -5.135 -1.884 254 HA PHE 38 HA PHE 38 -7.523 -7.543 -0.276 255 HB2 PHE 38 2HB PHE 38 -9.621 -6.369 -2.113 256 HB3 PHE 38 1HB PHE 38 -9.876 -7.570 -0.852 257 HD1 PHE 38 2HD PHE 38 -8.701 -4.078 -1.352 258 HD2 PHE 38 1HD PHE 38 -10.505 -6.899 1.270 259 HE1 PHE 38 2HE PHE 38 -9.151 -2.284 0.263 260 HE2 PHE 38 1HE PHE 38 -10.960 -5.106 2.891 261 HZ PHE 38 HZ PHE 38 -10.281 -2.794 2.389 262 H PHE 39 H PHE 39 -6.117 -8.964 -1.292 263 HA PHE 39 HA PHE 39 -6.796 -9.732 -4.047 264 HB2 PHE 39 2HB PHE 39 -4.243 -10.343 -2.564 265 HB3 PHE 39 1HB PHE 39 -4.549 -10.518 -4.291 266 HD1 PHE 39 2HD PHE 39 -5.775 -8.006 -5.032 267 HD2 PHE 39 1HD PHE 39 -2.595 -8.760 -2.310 268 HE1 PHE 39 2HE PHE 39 -4.915 -5.734 -5.413 269 HE2 PHE 39 1HE PHE 39 -1.729 -6.488 -2.686 270 HZ PHE 39 HZ PHE 39 -2.890 -4.973 -4.241 271 H GLN 40 H GLN 40 -7.273 -11.796 -4.573 272 HA GLN 40 HA GLN 40 -7.831 -13.643 -2.400 273 HB2 GLN 40 2HB GLN 40 -8.301 -13.874 -5.385 274 HB3 GLN 40 1HB GLN 40 -8.826 -15.052 -4.192 275 HG2 GLN 40 2HG GLN 40 -10.238 -13.329 -3.147 276 HG3 GLN 40 1HG GLN 40 -9.747 -12.195 -4.405 277 HE21 GLN 40 1HE2 GLN 40 -11.854 -11.935 -5.136 278 HE22 GLN 40 2HE2 GLN 40 -12.681 -13.161 -6.025 279 H ASP 41 H ASP 41 -5.294 -12.813 -4.299 280 HA ASP 41 HA ASP 41 -3.805 -15.216 -3.652 281 HB2 ASP 41 2HB ASP 41 -4.792 -15.650 -5.913 282 HB3 ASP 41 1HB ASP 41 -3.963 -14.211 -6.510 283 H LEU 42 H LEU 42 -1.912 -14.544 -2.835 284 HA LEU 42 HA LEU 42 -1.066 -11.810 -3.368 285 HB2 LEU 42 2HB LEU 42 -0.042 -13.844 -1.389 286 HB3 LEU 42 1HB LEU 42 0.557 -12.202 -1.533 287 HG LEU 42 HG LEU 42 -2.254 -12.982 -0.764 288 HD11 LEU 42 1HD1 LEU 42 -0.620 -13.482 0.979 289 HD12 LEU 42 2HD1 LEU 42 -1.654 -12.129 1.441 290 HD13 LEU 42 3HD1 LEU 42 -0.008 -11.831 0.885 291 HD21 LEU 42 3HD2 LEU 42 -2.296 -10.894 -1.948 292 HD22 LEU 42 1HD2 LEU 42 -0.924 -10.288 -1.016 293 HD23 LEU 42 2HD2 LEU 42 -2.476 -10.565 -0.224 294 H GLU 43 H GLU 43 -0.792 -13.316 -5.586 295 HA GLU 43 HA GLU 43 2.122 -13.406 -5.890 296 HB2 GLU 43 2HB GLU 43 0.220 -15.501 -6.957 297 HB3 GLU 43 1HB GLU 43 1.938 -15.413 -7.311 298 HG2 GLU 43 2HG GLU 43 2.396 -15.708 -4.901 299 HG3 GLU 43 1HG GLU 43 0.668 -15.928 -4.641 300 H ILE 44 H ILE 44 -0.460 -11.815 -6.642 301 HA ILE 44 HA ILE 44 -0.157 -11.707 -9.544 302 HB ILE 44 HB ILE 44 -2.009 -9.924 -9.269 303 HG12 ILE 44 2HG1 ILE 44 -2.639 -11.354 -6.733 304 HG13 ILE 44 1HG1 ILE 44 -1.498 -10.018 -6.683 305 HG21 ILE 44 1HG2 ILE 44 -3.703 -11.599 -9.381 306 HG22 ILE 44 2HG2 ILE 44 -2.697 -12.759 -8.512 307 HG23 ILE 44 3HG2 ILE 44 -2.256 -12.254 -10.148 308 HD11 ILE 44 3HD1 ILE 44 -4.395 -9.997 -7.392 309 HD12 ILE 44 1HD1 ILE 44 -3.318 -8.699 -7.906 310 HD13 ILE 44 2HD1 ILE 44 -3.527 -9.039 -6.190 311 HA PRO 45 HA PRO 45 2.406 -8.129 -9.896 312 HB2 PRO 45 2HB PRO 45 0.150 -6.899 -11.425 313 HB3 PRO 45 1HB PRO 45 1.857 -7.021 -11.855 314 HG2 PRO 45 2HG PRO 45 0.084 -8.631 -12.985 315 HG3 PRO 45 1HG PRO 45 1.667 -9.257 -12.487 316 HD2 PRO 45 2HD PRO 45 -1.002 -9.603 -11.193 317 HD3 PRO 45 1HD PRO 45 0.350 -10.744 -11.313 318 H ALA 46 H ALA 46 -0.931 -7.706 -8.920 319 HA ALA 46 HA ALA 46 -0.811 -5.008 -8.138 320 HB1 ALA 46 1HB ALA 46 -2.569 -7.103 -6.892 321 HB2 ALA 46 2HB ALA 46 -2.875 -6.405 -8.483 322 HB3 ALA 46 3HB ALA 46 -2.884 -5.373 -7.051 323 H VAL 47 H VAL 47 -0.072 -7.986 -6.364 324 HA VAL 47 HA VAL 47 0.073 -6.838 -3.816 325 HB VAL 47 HB VAL 47 1.885 -9.106 -4.556 326 HG11 VAL 47 1HG1 VAL 47 1.264 -9.891 -2.321 327 HG12 VAL 47 2HG1 VAL 47 0.202 -8.498 -2.128 328 HG13 VAL 47 3HG1 VAL 47 1.944 -8.264 -2.271 329 HG21 VAL 47 3HG2 VAL 47 -0.208 -9.582 -5.695 330 HG22 VAL 47 1HG2 VAL 47 -1.105 -9.272 -4.209 331 HG23 VAL 47 2HG2 VAL 47 -0.008 -10.648 -4.305 332 HA PRO 48 HA PRO 48 4.891 -6.313 -4.504 333 HB2 PRO 48 2HB PRO 48 4.956 -6.055 -7.459 334 HB3 PRO 48 1HB PRO 48 6.104 -6.850 -6.374 335 HG2 PRO 48 2HG PRO 48 4.457 -8.275 -7.913 336 HG3 PRO 48 1HG PRO 48 4.853 -8.797 -6.265 337 HD2 PRO 48 2HD PRO 48 2.380 -7.474 -7.293 338 HD3 PRO 48 1HD PRO 48 2.548 -8.763 -6.091 339 H ILE 49 H ILE 49 2.700 -4.978 -6.928 340 HA ILE 49 HA ILE 49 3.821 -2.411 -7.067 341 HB ILE 49 HB ILE 49 1.187 -3.584 -7.813 342 HG12 ILE 49 2HG1 ILE 49 2.968 -1.942 -9.554 343 HG13 ILE 49 1HG1 ILE 49 3.466 -3.572 -9.114 344 HG21 ILE 49 1HG2 ILE 49 1.757 -0.680 -7.513 345 HG22 ILE 49 2HG2 ILE 49 0.286 -1.583 -7.148 346 HG23 ILE 49 3HG2 ILE 49 0.717 -1.239 -8.823 347 HD11 ILE 49 3HD1 ILE 49 1.669 -4.545 -10.226 348 HD12 ILE 49 1HD1 ILE 49 2.218 -3.262 -11.303 349 HD13 ILE 49 2HD1 ILE 49 0.778 -3.023 -10.310 350 H LEU 50 H LEU 50 1.436 -3.815 -4.887 351 HA LEU 50 HA LEU 50 0.756 -1.305 -3.676 352 HB2 LEU 50 2HB LEU 50 -0.860 -3.075 -3.582 353 HB3 LEU 50 1HB LEU 50 0.288 -4.156 -2.825 354 HG LEU 50 HG LEU 50 0.305 -2.599 -0.843 355 HD11 LEU 50 1HD1 LEU 50 -1.516 -1.029 -0.590 356 HD12 LEU 50 2HD1 LEU 50 -2.118 -1.431 -2.200 357 HD13 LEU 50 3HD1 LEU 50 -0.562 -0.622 -2.017 358 HD21 LEU 50 3HD2 LEU 50 -1.611 -3.556 0.134 359 HD22 LEU 50 1HD2 LEU 50 -1.046 -4.733 -1.054 360 HD23 LEU 50 2HD2 LEU 50 -2.436 -3.702 -1.423 361 H HIS 51 H HIS 51 2.689 -4.110 -2.631 362 HA HIS 51 HA HIS 51 3.662 -3.068 -0.253 363 HB2 HIS 51 2HB HIS 51 4.946 -4.957 -2.233 364 HB3 HIS 51 1HB HIS 51 5.654 -4.581 -0.663 365 HD1 HIS 51 1HD HIS 51 5.314 -6.637 0.683 366 HD2 HIS 51 2HD HIS 51 1.891 -5.574 -1.419 367 HE1 HIS 51 1HE HIS 51 3.534 -8.245 1.437 368 HE2 HIS 51 2HE HIS 51 1.487 -7.622 0.105 369 H SER 52 H SER 52 4.398 -2.244 -3.513 370 HA SER 52 HA SER 52 6.872 -0.884 -2.877 371 HB2 SER 52 2HB SER 52 5.233 -1.010 -5.418 372 HB3 SER 52 1HB SER 52 6.767 -0.150 -5.272 373 HG SER 52 HG SER 52 7.756 -1.981 -5.492 374 H MET 53 H MET 53 3.558 0.025 -3.818 375 HA MET 53 HA MET 53 3.933 2.797 -3.794 376 HB2 MET 53 2HB MET 53 1.633 2.998 -3.945 377 HB3 MET 53 1HB MET 53 1.881 1.367 -4.549 378 HG2 MET 53 2HG MET 53 0.071 1.150 -3.134 379 HG3 MET 53 1HG MET 53 1.425 0.622 -2.142 380 HE1 MET 53 3HE MET 53 -0.774 2.316 0.563 381 HE2 MET 53 1HE MET 53 0.257 0.936 0.187 382 HE3 MET 53 2HE MET 53 -1.212 1.217 -0.745 383 H VAL 54 H VAL 54 3.623 0.476 -1.275 384 HA VAL 54 HA VAL 54 2.796 1.940 0.902 385 HB VAL 54 HB VAL 54 4.878 -0.229 0.751 386 HG11 VAL 54 1HG1 VAL 54 5.258 1.061 2.765 387 HG12 VAL 54 2HG1 VAL 54 4.565 -0.512 3.166 388 HG13 VAL 54 3HG1 VAL 54 3.552 0.932 3.186 389 HG21 VAL 54 3HG2 VAL 54 1.930 -0.181 1.256 390 HG22 VAL 54 1HG2 VAL 54 2.932 -1.505 1.848 391 HG23 VAL 54 2HG2 VAL 54 2.848 -1.166 0.121 392 H GLN 55 H GLN 55 6.122 1.566 -0.300 393 HA GLN 55 HA GLN 55 7.194 3.403 1.610 394 HB2 GLN 55 2HB GLN 55 8.551 2.530 -0.917 395 HB3 GLN 55 1HB GLN 55 9.271 2.985 0.622 396 HG2 GLN 55 2HG GLN 55 8.389 0.956 1.644 397 HG3 GLN 55 1HG GLN 55 7.653 0.501 0.108 398 HE21 GLN 55 1HE2 GLN 55 10.792 2.015 0.349 399 HE22 GLN 55 2HE2 GLN 55 11.709 0.636 -0.141 400 H LYS 56 H LYS 56 5.439 3.791 -1.192 401 HA LYS 56 HA LYS 56 6.704 6.313 -1.956 402 HB2 LYS 56 2HB LYS 56 4.382 4.825 -3.198 403 HB3 LYS 56 1HB LYS 56 5.125 6.281 -3.844 404 HG2 LYS 56 2HG LYS 56 7.212 5.094 -4.188 405 HG3 LYS 56 1HG LYS 56 6.512 3.632 -3.489 406 HD2 LYS 56 2HD LYS 56 6.394 3.371 -5.840 407 HD3 LYS 56 1HD LYS 56 4.758 3.765 -5.306 408 HE2 LYS 56 2HE LYS 56 5.158 5.078 -7.233 409 HE3 LYS 56 1HE LYS 56 5.289 6.166 -5.852 410 HZ1 LYS 56 3HZ LYS 56 7.689 5.983 -5.968 411 HZ2 LYS 56 1HZ LYS 56 7.069 6.532 -7.444 412 HZ3 LYS 56 2HZ LYS 56 7.574 4.926 -7.283 413 H PHE 57 H PHE 57 4.113 5.067 -0.123 414 HA PHE 57 HA PHE 57 3.108 7.787 0.319 415 HB2 PHE 57 2HB PHE 57 1.505 5.341 -0.363 416 HB3 PHE 57 1HB PHE 57 0.787 6.700 0.501 417 HD1 PHE 57 1HD PHE 57 0.660 8.922 -0.590 418 HD2 PHE 57 2HD PHE 57 1.926 5.441 -2.686 419 HE1 PHE 57 1HE PHE 57 0.263 10.072 -2.730 420 HE2 PHE 57 2HE PHE 57 1.532 6.585 -4.828 421 HZ PHE 57 HZ PHE 57 0.701 8.902 -4.853 422 HA PRO 58 HA PRO 58 4.261 5.391 4.267 423 HB2 PRO 58 2HB PRO 58 5.243 7.769 5.368 424 HB3 PRO 58 1HB PRO 58 6.220 6.480 4.660 425 HG2 PRO 58 2HG PRO 58 5.260 9.029 3.429 426 HG3 PRO 58 1HG PRO 58 6.826 8.212 3.245 427 HD2 PRO 58 2HD PRO 58 5.004 8.054 1.318 428 HD3 PRO 58 1HD PRO 58 5.955 6.622 1.765 429 H GLY 59 H GLY 59 3.030 8.703 3.807 430 HA2 GLY 59 2HA GLY 59 1.634 8.961 6.205 431 HA3 GLY 59 1HA GLY 59 1.210 9.779 4.706 432 H VAL 60 H VAL 60 0.633 7.552 3.132 433 HA VAL 60 HA VAL 60 -2.050 7.015 3.868 434 HB VAL 60 HB VAL 60 -0.224 5.962 1.722 435 HG11 VAL 60 1HG1 VAL 60 -3.063 5.066 2.219 436 HG12 VAL 60 2HG1 VAL 60 -1.618 4.068 2.367 437 HG13 VAL 60 3HG1 VAL 60 -2.102 4.687 0.789 438 HG21 VAL 60 3HG2 VAL 60 -1.904 7.055 0.263 439 HG22 VAL 60 1HG2 VAL 60 -1.110 8.170 1.376 440 HG23 VAL 60 2HG2 VAL 60 -2.749 7.609 1.709 441 H SER 61 H SER 61 -2.997 5.124 4.672 442 HA SER 61 HA SER 61 -1.231 3.497 6.280 443 HB2 SER 61 2HB SER 61 -3.365 4.251 7.220 444 HB3 SER 61 1HB SER 61 -4.234 3.373 5.962 445 HG SER 61 HG SER 61 -4.202 1.867 7.455 446 H PHE 62 H PHE 62 -0.084 2.110 5.092 447 HA PHE 62 HA PHE 62 -1.052 0.699 2.843 448 HB2 PHE 62 2HB PHE 62 1.022 -0.793 3.401 449 HB3 PHE 62 1HB PHE 62 1.258 0.868 2.860 450 HD1 PHE 62 1HD PHE 62 1.448 -1.417 5.717 451 HD2 PHE 62 2HD PHE 62 2.082 2.566 4.363 452 HE1 PHE 62 1HE PHE 62 2.755 -0.943 7.742 453 HE2 PHE 62 2HE PHE 62 3.393 3.049 6.388 454 HZ PHE 62 HZ PHE 62 3.731 1.293 8.081 455 H GLY 63 H GLY 63 -2.315 -1.014 2.734 456 HA2 GLY 63 2HA GLY 63 -2.310 -2.957 4.926 457 HA3 GLY 63 1HA GLY 63 -3.840 -2.213 4.485 458 H ILE 64 H ILE 64 -3.455 -4.951 4.379 459 HA ILE 64 HA ILE 64 -4.135 -5.453 1.637 460 HB ILE 64 HB ILE 64 -1.515 -5.565 1.966 461 HG12 ILE 64 2HG1 ILE 64 -3.057 -7.659 0.433 462 HG13 ILE 64 1HG1 ILE 64 -2.735 -6.021 -0.119 463 HG21 ILE 64 1HG2 ILE 64 -1.532 -7.147 3.807 464 HG22 ILE 64 2HG2 ILE 64 -0.728 -7.841 2.401 465 HG23 ILE 64 3HG2 ILE 64 -2.372 -8.327 2.804 466 HD11 ILE 64 3HD1 ILE 64 -0.329 -6.508 -0.083 467 HD12 ILE 64 1HD1 ILE 64 -1.219 -7.573 -1.171 468 HD13 ILE 64 2HD1 ILE 64 -0.689 -8.167 0.402 469 H SER 65 H SER 65 -5.347 -7.314 1.410 470 HA SER 65 HA SER 65 -5.574 -9.086 3.722 471 HB2 SER 65 2HB SER 65 -7.259 -7.391 4.155 472 HB3 SER 65 1HB SER 65 -7.920 -7.594 2.532 473 HG SER 65 HG SER 65 -7.741 -9.850 4.167 474 H THR 66 H THR 66 -6.583 -11.084 3.309 475 HA THR 66 HA THR 66 -7.111 -11.736 0.502 476 HB THR 66 HB THR 66 -5.827 -13.834 0.702 477 HG1 THR 66 1HG THR 66 -4.770 -14.333 2.514 478 HG21 THR 66 3HG2 THR 66 -4.089 -11.453 1.324 479 HG22 THR 66 1HG2 THR 66 -4.828 -11.745 -0.251 480 HG23 THR 66 2HG2 THR 66 -3.655 -12.890 0.398 481 H ASP 67 H ASP 67 -8.197 -11.676 3.558 482 HA ASP 67 HA ASP 67 -9.374 -14.265 3.829 483 HB2 ASP 67 2HB ASP 67 -8.863 -12.734 5.741 484 HB3 ASP 67 1HB ASP 67 -10.178 -11.693 5.202 485 H SER 68 H SER 68 -11.506 -14.887 3.519 486 HA SER 68 HA SER 68 -12.808 -13.760 1.276 487 HB2 SER 68 2HB SER 68 -12.975 -16.147 1.841 488 HB3 SER 68 1HB SER 68 -13.868 -15.741 3.308 489 HG SER 68 HG SER 68 -14.696 -15.743 0.658 490 H GLU 69 H GLU 69 -13.695 -13.809 4.731 491 HA GLU 69 HA GLU 69 -16.091 -12.465 4.619 492 HB2 GLU 69 2HB GLU 69 -13.988 -12.130 6.754 493 HB3 GLU 69 1HB GLU 69 -15.704 -11.789 6.916 494 HG2 GLU 69 2HG GLU 69 -16.220 -14.142 6.595 495 HG3 GLU 69 1HG GLU 69 -14.506 -14.498 6.391 496 H VAL 70 H VAL 70 -12.842 -11.048 4.744 497 HA VAL 70 HA VAL 70 -13.798 -8.372 4.805 498 HB VAL 70 HB VAL 70 -11.084 -9.484 4.087 499 HG11 VAL 70 1HG1 VAL 70 -11.296 -7.382 2.956 500 HG12 VAL 70 2HG1 VAL 70 -10.282 -7.143 4.380 501 HG13 VAL 70 3HG1 VAL 70 -11.966 -6.620 4.397 502 HG21 VAL 70 3HG2 VAL 70 -10.410 -8.818 6.267 503 HG22 VAL 70 1HG2 VAL 70 -11.914 -9.719 6.450 504 HG23 VAL 70 2HG2 VAL 70 -11.924 -7.957 6.541 505 H LEU 71 H LEU 71 -12.319 -10.329 2.222 506 HA LEU 71 HA LEU 71 -12.620 -8.459 0.165 507 HB2 LEU 71 2HB LEU 71 -12.275 -11.416 0.281 508 HB3 LEU 71 1HB LEU 71 -12.740 -10.695 -1.247 509 HG LEU 71 HG LEU 71 -10.740 -9.415 -1.366 510 HD11 LEU 71 1HD1 LEU 71 -9.046 -9.443 0.419 511 HD12 LEU 71 2HD1 LEU 71 -10.168 -10.336 1.445 512 HD13 LEU 71 3HD1 LEU 71 -10.561 -8.695 0.928 513 HD21 LEU 71 3HD2 LEU 71 -8.990 -11.180 -1.196 514 HD22 LEU 71 1HD2 LEU 71 -10.432 -11.673 -2.084 515 HD23 LEU 71 2HD2 LEU 71 -10.189 -12.221 -0.427 516 H THR 72 H THR 72 -14.942 -10.237 1.862 517 HA THR 72 HA THR 72 -16.942 -10.138 -0.252 518 HB THR 72 HB THR 72 -17.128 -11.126 2.604 519 HG1 THR 72 1HG THR 72 -17.166 -13.177 1.556 520 HG21 THR 72 3HG2 THR 72 -19.140 -11.050 0.361 521 HG22 THR 72 1HG2 THR 72 -19.314 -10.448 2.010 522 HG23 THR 72 2HG2 THR 72 -19.272 -12.184 1.707 523 H HIS 73 H HIS 73 -16.293 -8.727 2.925 524 HA HIS 73 HA HIS 73 -18.622 -7.193 3.164 525 HB2 HIS 73 2HB HIS 73 -17.123 -7.582 5.050 526 HB3 HIS 73 1HB HIS 73 -15.850 -6.660 4.256 527 HD1 HIS 73 1HD HIS 73 -18.994 -6.273 6.212 528 HD2 HIS 73 2HD HIS 73 -16.191 -3.859 4.317 529 HE1 HIS 73 1HE HIS 73 -19.453 -3.939 7.030 530 HE2 HIS 73 2HE HIS 73 -17.748 -2.494 5.866 531 H TYR 74 H TYR 74 -15.529 -6.529 1.607 532 HA TYR 74 HA TYR 74 -16.423 -3.868 0.821 533 HB2 TYR 74 2HB TYR 74 -13.811 -5.339 0.469 534 HB3 TYR 74 1HB TYR 74 -14.121 -3.757 -0.241 535 HD1 TYR 74 2HD TYR 74 -13.934 -5.574 2.992 536 HD2 TYR 74 1HD TYR 74 -13.850 -1.800 1.030 537 HE1 TYR 74 2HE TYR 74 -13.235 -4.505 5.093 538 HE2 TYR 74 1HE TYR 74 -13.149 -0.720 3.126 539 HH TYR 74 HH TYR 74 -13.306 -1.174 5.572 540 H ASN 75 H ASN 75 -17.286 -6.695 -0.208 541 HA ASN 75 HA ASN 75 -18.061 -7.597 -2.142 542 HB2 ASN 75 2HB ASN 75 -18.035 -4.685 -2.935 543 HB3 ASN 75 1HB ASN 75 -18.782 -5.961 -3.894 544 HD21 ASN 75 1HD2 ASN 75 -20.813 -5.019 -3.696 545 HD22 ASN 75 2HD2 ASN 75 -21.714 -5.082 -2.224 546 H ILE 76 H ILE 76 -15.113 -7.190 -1.775 547 HA ILE 76 HA ILE 76 -13.859 -6.584 -4.211 548 HB ILE 76 HB ILE 76 -12.911 -8.565 -2.140 549 HG12 ILE 76 2HG1 ILE 76 -13.477 -6.429 -1.099 550 HG13 ILE 76 1HG1 ILE 76 -11.741 -6.677 -1.104 551 HG21 ILE 76 1HG2 ILE 76 -11.635 -8.730 -4.160 552 HG22 ILE 76 2HG2 ILE 76 -10.663 -7.905 -2.944 553 HG23 ILE 76 3HG2 ILE 76 -11.437 -6.982 -4.229 554 HD11 ILE 76 3HD1 ILE 76 -13.257 -4.938 -3.039 555 HD12 ILE 76 1HD1 ILE 76 -11.507 -5.153 -2.978 556 HD13 ILE 76 2HD1 ILE 76 -12.346 -4.371 -1.639 557 H THR 77 H THR 77 -13.902 -7.611 -6.103 558 HA THR 77 HA THR 77 -14.111 -10.526 -6.164 559 HB THR 77 HB THR 77 -15.791 -10.396 -8.022 560 HG1 THR 77 1HG THR 77 -15.310 -7.872 -7.973 561 HG21 THR 77 3HG2 THR 77 -17.727 -10.059 -6.558 562 HG22 THR 77 1HG2 THR 77 -16.682 -9.310 -5.350 563 HG23 THR 77 2HG2 THR 77 -16.474 -11.012 -5.765 564 H GLY 78 H GLY 78 -11.770 -9.606 -6.611 565 HA2 GLY 78 2HA GLY 78 -10.809 -10.424 -8.958 566 HA3 GLY 78 1HA GLY 78 -11.391 -8.823 -9.392 567 H ASN 79 H ASN 79 -9.787 -9.964 -6.431 568 HA ASN 79 HA ASN 79 -7.999 -9.128 -5.290 569 HB2 ASN 79 2HB ASN 79 -6.837 -8.777 -8.056 570 HB3 ASN 79 1HB ASN 79 -5.949 -9.007 -6.554 571 HD21 ASN 79 1HD2 ASN 79 -5.844 -10.556 -8.995 572 HD22 ASN 79 2HD2 ASN 79 -6.276 -12.174 -8.568 573 H THR 80 H THR 80 -9.958 -7.275 -5.632 574 HA THR 80 HA THR 80 -9.117 -4.831 -6.801 575 HB THR 80 HB THR 80 -11.230 -5.383 -4.700 576 HG1 THR 80 1HG THR 80 -11.930 -6.372 -6.496 577 HG21 THR 80 3HG2 THR 80 -10.857 -2.939 -6.440 578 HG22 THR 80 1HG2 THR 80 -10.595 -3.016 -4.697 579 HG23 THR 80 2HG2 THR 80 -12.215 -3.239 -5.357 580 H ILE 81 H ILE 81 -8.573 -2.879 -5.786 581 HA ILE 81 HA ILE 81 -7.379 -3.085 -3.094 582 HB ILE 81 HB ILE 81 -6.427 -1.450 -5.457 583 HG12 ILE 81 2HG1 ILE 81 -5.111 -3.699 -3.919 584 HG13 ILE 81 1HG1 ILE 81 -5.763 -3.812 -5.549 585 HG21 ILE 81 1HG2 ILE 81 -4.675 -0.600 -4.012 586 HG22 ILE 81 2HG2 ILE 81 -5.327 -1.514 -2.651 587 HG23 ILE 81 3HG2 ILE 81 -6.260 -0.192 -3.353 588 HD11 ILE 81 3HD1 ILE 81 -4.107 -2.101 -6.254 589 HD12 ILE 81 1HD1 ILE 81 -3.395 -3.615 -5.689 590 HD13 ILE 81 2HD1 ILE 81 -3.400 -2.197 -4.640 591 H CYS 82 H CYS 82 -8.500 -1.875 -1.667 592 HA CYS 82 HA CYS 82 -10.060 0.364 -2.749 593 HB2 CYS 82 2HB CYS 82 -10.455 -1.216 -0.219 594 HB3 CYS 82 1HB CYS 82 -11.433 0.165 -0.697 595 HG CYS 82 HG CYS 82 -12.747 -1.006 -2.716 596 H LEU 83 H LEU 83 -9.744 2.371 -2.164 597 HA LEU 83 HA LEU 83 -7.815 2.938 -0.024 598 HB2 LEU 83 2HB LEU 83 -6.937 3.918 -1.917 599 HB3 LEU 83 1HB LEU 83 -8.508 4.266 -2.600 600 HG LEU 83 HG LEU 83 -8.796 6.167 -1.138 601 HD11 LEU 83 1HD1 LEU 83 -7.513 5.081 0.789 602 HD12 LEU 83 2HD1 LEU 83 -7.338 6.822 0.563 603 HD13 LEU 83 3HD1 LEU 83 -6.062 5.729 0.018 604 HD21 LEU 83 3HD2 LEU 83 -7.663 6.703 -3.139 605 HD22 LEU 83 1HD2 LEU 83 -6.138 6.050 -2.536 606 HD23 LEU 83 2HD2 LEU 83 -6.798 7.530 -1.845 607 H PHE 84 H PHE 84 -9.010 3.193 1.813 608 HA PHE 84 HA PHE 84 -11.471 4.767 1.671 609 HB2 PHE 84 2HB PHE 84 -11.246 2.496 2.906 610 HB3 PHE 84 1HB PHE 84 -10.442 3.435 4.160 611 HD1 PHE 84 2HD PHE 84 -11.735 5.489 5.064 612 HD2 PHE 84 1HD PHE 84 -13.546 2.302 2.901 613 HE1 PHE 84 2HE PHE 84 -13.924 6.105 6.000 614 HE2 PHE 84 1HE PHE 84 -15.740 2.913 3.832 615 HZ PHE 84 HZ PHE 84 -15.932 4.816 5.385 616 H ARG 85 H ARG 85 -11.501 6.832 2.207 617 HA ARG 85 HA ARG 85 -9.229 7.928 3.726 618 HB2 ARG 85 2HB ARG 85 -11.068 9.816 2.408 619 HB3 ARG 85 1HB ARG 85 -9.311 9.791 2.452 620 HG2 ARG 85 2HG ARG 85 -9.280 8.067 0.729 621 HG3 ARG 85 1HG ARG 85 -11.050 8.089 0.681 622 HD2 ARG 85 2HD ARG 85 -9.146 10.287 -0.104 623 HD3 ARG 85 1HD ARG 85 -10.289 9.422 -1.133 624 HE ARG 85 HE ARG 85 -11.636 10.766 0.970 625 HH11 ARG 85 1HH1 ARG 85 -10.047 11.304 -2.085 626 HH12 ARG 85 2HH1 ARG 85 -10.953 12.732 -2.452 627 HH21 ARG 85 1HH2 ARG 85 -12.830 12.653 0.492 628 HH22 ARG 85 2HH2 ARG 85 -12.532 13.500 -0.987 629 H LEU 86 H LEU 86 -9.801 7.758 5.796 630 HA LEU 86 HA LEU 86 -12.194 7.755 7.052 631 HB2 LEU 86 2HB LEU 86 -10.429 7.326 8.440 632 HB3 LEU 86 1HB LEU 86 -9.479 8.664 7.830 633 HG LEU 86 HG LEU 86 -11.011 10.213 9.080 634 HD11 LEU 86 1HD1 LEU 86 -12.912 8.687 9.306 635 HD12 LEU 86 2HD1 LEU 86 -12.364 9.278 10.874 636 HD13 LEU 86 3HD1 LEU 86 -11.950 7.645 10.354 637 HD21 LEU 86 3HD2 LEU 86 -9.442 8.175 10.648 638 HD22 LEU 86 1HD2 LEU 86 -9.985 9.735 11.269 639 HD23 LEU 86 2HD2 LEU 86 -8.827 9.672 9.940 640 H VAL 87 H VAL 87 -10.309 10.713 6.414 641 HA VAL 87 HA VAL 87 -11.807 12.625 7.600 642 HB VAL 87 HB VAL 87 -11.332 13.890 5.236 643 HG11 VAL 87 1HG1 VAL 87 -9.453 13.349 7.527 644 HG12 VAL 87 2HG1 VAL 87 -10.575 14.698 7.354 645 HG13 VAL 87 3HG1 VAL 87 -9.175 14.572 6.287 646 HG21 VAL 87 3HG2 VAL 87 -10.474 11.907 4.166 647 HG22 VAL 87 1HG2 VAL 87 -9.333 11.649 5.492 648 HG23 VAL 87 2HG2 VAL 87 -9.156 13.051 4.430 649 H ASP 88 H ASP 88 -12.343 11.772 4.179 650 HA ASP 88 HA ASP 88 -15.051 12.831 4.423 651 HB2 ASP 88 2HB ASP 88 -13.268 12.256 2.071 652 HB3 ASP 88 1HB ASP 88 -14.991 12.572 1.867 653 H ASN 89 H ASN 89 -13.980 10.107 5.278 654 HA ASN 89 HA ASN 89 -14.572 7.903 5.220 655 HB2 ASN 89 2HB ASN 89 -16.885 7.536 5.637 656 HB3 ASN 89 1HB ASN 89 -16.498 9.120 6.304 657 HD21 ASN 89 1HD2 ASN 89 -17.342 10.953 5.360 658 HD22 ASN 89 2HD2 ASN 89 -18.624 10.898 4.202 659 H GLU 90 H GLU 90 -13.861 9.006 2.585 660 HA GLU 90 HA GLU 90 -15.649 7.873 0.654 661 HB2 GLU 90 2HB GLU 90 -12.770 8.720 0.312 662 HB3 GLU 90 1HB GLU 90 -13.920 8.411 -0.980 663 HG2 GLU 90 2HG GLU 90 -14.214 10.562 1.094 664 HG3 GLU 90 1HG GLU 90 -13.552 10.802 -0.520 665 H GLN 91 H GLN 91 -15.151 6.139 -0.798 666 HA GLN 91 HA GLN 91 -13.154 4.218 0.136 667 HB2 GLN 91 2HB GLN 91 -15.270 3.567 1.203 668 HB3 GLN 91 1HB GLN 91 -16.051 3.516 -0.371 669 HG2 GLN 91 2HG GLN 91 -13.629 1.861 -0.063 670 HG3 GLN 91 1HG GLN 91 -15.044 1.362 0.863 671 HE21 GLN 91 1HE2 GLN 91 -16.938 2.359 -1.089 672 HE22 GLN 91 2HE2 GLN 91 -16.890 1.265 -2.424 673 H LEU 92 H LEU 92 -11.939 4.677 -1.687 674 HA LEU 92 HA LEU 92 -13.060 4.487 -4.326 675 HB2 LEU 92 2HB LEU 92 -10.184 4.605 -3.403 676 HB3 LEU 92 1HB LEU 92 -10.702 4.696 -5.074 677 HG LEU 92 HG LEU 92 -10.211 6.909 -4.400 678 HD11 LEU 92 1HD1 LEU 92 -13.196 6.546 -4.265 679 HD12 LEU 92 2HD1 LEU 92 -12.231 6.724 -5.730 680 HD13 LEU 92 3HD1 LEU 92 -12.352 8.061 -4.586 681 HD21 LEU 92 3HD2 LEU 92 -10.328 6.417 -1.945 682 HD22 LEU 92 1HD2 LEU 92 -12.073 6.639 -2.056 683 HD23 LEU 92 2HD2 LEU 92 -10.988 7.977 -2.433 684 H ASN 93 H ASN 93 -12.831 2.784 -5.790 685 HA ASN 93 HA ASN 93 -11.706 0.307 -4.660 686 HB2 ASN 93 2HB ASN 93 -13.565 -0.773 -6.196 687 HB3 ASN 93 1HB ASN 93 -13.925 -0.250 -4.556 688 HD21 ASN 93 1HD2 ASN 93 -15.141 1.617 -4.236 689 HD22 ASN 93 2HD2 ASN 93 -16.085 2.324 -5.497 690 H LEU 94 H LEU 94 -9.975 -0.182 -5.732 691 HA LEU 94 HA LEU 94 -9.796 0.273 -8.619 692 HB2 LEU 94 2HB LEU 94 -7.988 0.931 -6.847 693 HB3 LEU 94 1HB LEU 94 -7.587 -0.774 -6.869 694 HG LEU 94 HG LEU 94 -7.679 0.629 -9.483 695 HD11 LEU 94 1HD1 LEU 94 -6.497 2.263 -8.182 696 HD12 LEU 94 2HD1 LEU 94 -5.321 1.362 -9.140 697 HD13 LEU 94 3HD1 LEU 94 -5.510 1.012 -7.422 698 HD21 LEU 94 3HD2 LEU 94 -5.913 -0.907 -9.996 699 HD22 LEU 94 1HD2 LEU 94 -7.213 -1.797 -9.210 700 HD23 LEU 94 2HD2 LEU 94 -5.762 -1.376 -8.302 701 H GLU 95 H GLU 95 -11.362 -1.422 -8.970 702 HA GLU 95 HA GLU 95 -10.819 -4.104 -8.123 703 HB2 GLU 95 2HB GLU 95 -12.838 -3.173 -10.154 704 HB3 GLU 95 1HB GLU 95 -12.837 -4.694 -9.270 705 HG2 GLU 95 2HG GLU 95 -13.278 -3.581 -7.212 706 HG3 GLU 95 1HG GLU 95 -13.067 -1.999 -7.962 707 H ASP 96 H ASP 96 -11.599 -5.617 -10.228 708 HA ASP 96 HA ASP 96 -9.257 -6.300 -11.485 709 HB2 ASP 96 2HB ASP 96 -11.159 -7.796 -11.363 710 HB3 ASP 96 1HB ASP 96 -12.093 -6.749 -12.427 711 H GLU 97 H GLU 97 -11.736 -4.050 -12.621 712 HA GLU 97 HA GLU 97 -10.871 -3.717 -15.250 713 HB2 GLU 97 2HB GLU 97 -12.971 -2.778 -14.279 714 HB3 GLU 97 1HB GLU 97 -12.004 -1.568 -13.447 715 HG2 GLU 97 2HG GLU 97 -11.238 -0.694 -15.591 716 HG3 GLU 97 1HG GLU 97 -12.194 -1.913 -16.432 717 H ASP 98 H ASP 98 -9.329 -2.927 -12.359 718 HA ASP 98 HA ASP 98 -7.326 -1.325 -13.791 719 HB2 ASP 98 2HB ASP 98 -8.336 -0.895 -10.965 720 HB3 ASP 98 1HB ASP 98 -6.972 -0.043 -11.688 721 H ILE 99 H ILE 99 -7.988 -4.046 -11.880 722 HA ILE 99 HA ILE 99 -5.312 -4.265 -10.764 723 HB ILE 99 HB ILE 99 -7.744 -6.043 -10.536 724 HG12 ILE 99 2HG1 ILE 99 -7.708 -3.844 -9.339 725 HG13 ILE 99 1HG1 ILE 99 -7.894 -5.246 -8.296 726 HG21 ILE 99 1HG2 ILE 99 -4.981 -6.419 -9.405 727 HG22 ILE 99 2HG2 ILE 99 -5.910 -7.539 -10.402 728 HG23 ILE 99 3HG2 ILE 99 -6.411 -7.208 -8.741 729 HD11 ILE 99 3HD1 ILE 99 -6.402 -3.670 -7.281 730 HD12 ILE 99 1HD1 ILE 99 -5.391 -3.636 -8.728 731 HD13 ILE 99 2HD1 ILE 99 -5.490 -5.104 -7.756 732 H GLU 100 H GLU 100 -7.131 -5.451 -13.478 733 HA GLU 100 HA GLU 100 -5.838 -7.814 -14.095 734 HB2 GLU 100 2HB GLU 100 -6.985 -5.657 -15.851 735 HB3 GLU 100 1HB GLU 100 -6.251 -7.097 -16.538 736 HG2 GLU 100 2HG GLU 100 -7.850 -8.495 -15.352 737 HG3 GLU 100 1HG GLU 100 -8.576 -7.060 -14.629 738 H SER 101 H SER 101 -4.995 -4.616 -15.426 739 HA SER 101 HA SER 101 -2.230 -5.578 -15.746 740 HB2 SER 101 2HB SER 101 -3.692 -3.417 -17.285 741 HB3 SER 101 1HB SER 101 -2.010 -3.880 -17.531 742 HG SER 101 HG SER 101 -3.753 -4.859 -18.920 743 H ILE 102 H ILE 102 -3.157 -4.605 -13.274 744 HA ILE 102 HA ILE 102 -2.762 -1.898 -12.791 745 HB ILE 102 HB ILE 102 -3.723 -3.409 -11.122 746 HG12 ILE 102 2HG1 ILE 102 -2.375 -2.557 -9.141 747 HG13 ILE 102 1HG1 ILE 102 -1.247 -1.882 -10.309 748 HG21 ILE 102 1HG2 ILE 102 -0.916 -4.507 -10.978 749 HG22 ILE 102 2HG2 ILE 102 -2.398 -5.373 -11.382 750 HG23 ILE 102 3HG2 ILE 102 -2.141 -4.786 -9.740 751 HD11 ILE 102 3HD1 ILE 102 -2.894 -0.258 -9.434 752 HD12 ILE 102 1HD1 ILE 102 -4.165 -1.199 -10.211 753 HD13 ILE 102 2HD1 ILE 102 -2.919 -0.429 -11.191 754 H ASP 103 H ASP 103 -1.031 -0.655 -12.245 755 HA ASP 103 HA ASP 103 1.627 -1.886 -12.266 756 HB2 ASP 103 2HB ASP 103 0.870 0.592 -13.829 757 HB3 ASP 103 1HB ASP 103 2.500 -0.051 -13.652 758 H ALA 104 H ALA 104 3.208 -0.728 -11.053 759 HA ALA 104 HA ALA 104 2.369 0.385 -8.690 760 HB1 ALA 104 1HB ALA 104 4.955 0.903 -10.141 761 HB2 ALA 104 2HB ALA 104 4.623 -0.383 -8.976 762 HB3 ALA 104 3HB ALA 104 4.644 1.301 -8.451 763 H THR 105 H THR 105 2.895 1.939 -11.769 764 HA THR 105 HA THR 105 2.761 4.623 -10.942 765 HB THR 105 HB THR 105 1.894 3.402 -13.571 766 HG1 THR 105 1HG THR 105 4.194 4.820 -13.623 767 HG21 THR 105 3HG2 THR 105 2.414 6.256 -12.766 768 HG22 THR 105 1HG2 THR 105 0.905 5.563 -13.360 769 HG23 THR 105 2HG2 THR 105 2.294 5.710 -14.439 770 H LYS 106 H LYS 106 0.256 2.425 -12.171 771 HA LYS 106 HA LYS 106 -1.910 4.177 -12.018 772 HB2 LYS 106 2HB LYS 106 -1.898 1.170 -11.677 773 HB3 LYS 106 1HB LYS 106 -3.315 2.151 -12.025 774 HG2 LYS 106 2HG LYS 106 -2.371 2.803 -14.162 775 HG3 LYS 106 1HG LYS 106 -0.902 1.887 -13.812 776 HD2 LYS 106 2HD LYS 106 -2.223 0.515 -15.224 777 HD3 LYS 106 1HD LYS 106 -2.385 -0.153 -13.598 778 HE2 LYS 106 2HE LYS 106 -4.547 -0.096 -14.676 779 HE3 LYS 106 1HE LYS 106 -4.516 1.056 -13.343 780 HZ1 LYS 106 3HZ LYS 106 -5.560 1.955 -15.355 781 HZ2 LYS 106 1HZ LYS 106 -4.105 1.763 -16.197 782 HZ3 LYS 106 2HZ LYS 106 -4.195 2.842 -14.899 783 H LEU 107 H LEU 107 -1.030 1.618 -9.662 784 HA LEU 107 HA LEU 107 -2.914 2.199 -7.734 785 HB2 LEU 107 2HB LEU 107 -0.719 0.528 -7.906 786 HB3 LEU 107 1HB LEU 107 -0.287 1.598 -6.590 787 HG LEU 107 HG LEU 107 -2.493 -0.416 -6.742 788 HD11 LEU 107 1HD1 LEU 107 -0.359 0.314 -4.751 789 HD12 LEU 107 2HD1 LEU 107 -0.509 -1.169 -5.695 790 HD13 LEU 107 3HD1 LEU 107 -1.657 -0.829 -4.402 791 HD21 LEU 107 3HD2 LEU 107 -2.482 1.987 -4.916 792 HD22 LEU 107 1HD2 LEU 107 -3.513 0.569 -4.719 793 HD23 LEU 107 2HD2 LEU 107 -3.689 1.596 -6.140 794 H SER 108 H SER 108 0.438 3.409 -7.828 795 HA SER 108 HA SER 108 0.238 5.200 -5.700 796 HB2 SER 108 2HB SER 108 1.979 5.362 -8.170 797 HB3 SER 108 1HB SER 108 2.218 6.307 -6.701 798 HG SER 108 HG SER 108 2.008 3.747 -6.020 799 H ARG 109 H ARG 109 -0.777 5.484 -9.016 800 HA ARG 109 HA ARG 109 -1.093 8.303 -9.040 801 HB2 ARG 109 2HB ARG 109 -0.871 6.847 -11.074 802 HB3 ARG 109 1HB ARG 109 -2.495 6.261 -10.768 803 HG2 ARG 109 2HG ARG 109 -1.963 9.185 -11.091 804 HG3 ARG 109 1HG ARG 109 -2.148 8.132 -12.494 805 HD2 ARG 109 2HD ARG 109 -4.324 7.365 -11.483 806 HD3 ARG 109 1HD ARG 109 -4.144 8.674 -10.307 807 HE ARG 109 HE ARG 109 -3.906 9.974 -12.647 808 HH11 ARG 109 1HH1 ARG 109 -6.258 7.677 -11.486 809 HH12 ARG 109 2HH1 ARG 109 -7.552 8.330 -12.435 810 HH21 ARG 109 1HH2 ARG 109 -5.604 10.836 -13.900 811 HH22 ARG 109 2HH2 ARG 109 -7.181 10.123 -13.807 812 H PHE 110 H PHE 110 -3.573 5.746 -9.130 813 HA PHE 110 HA PHE 110 -5.808 7.188 -8.588 814 HB2 PHE 110 2HB PHE 110 -4.990 4.414 -7.809 815 HB3 PHE 110 1HB PHE 110 -6.495 5.075 -7.171 816 HD1 PHE 110 1HD PHE 110 -4.712 4.077 -10.228 817 HD2 PHE 110 2HD PHE 110 -8.406 5.367 -8.556 818 HE1 PHE 110 1HE PHE 110 -5.864 3.469 -12.316 819 HE2 PHE 110 2HE PHE 110 -9.566 4.762 -10.640 820 HZ PHE 110 HZ PHE 110 -8.294 3.810 -12.523 821 H ILE 111 H ILE 111 -3.454 5.985 -6.230 822 HA ILE 111 HA ILE 111 -4.759 6.961 -3.930 823 HB ILE 111 HB ILE 111 -1.814 6.481 -4.427 824 HG12 ILE 111 2HG1 ILE 111 -3.798 4.806 -2.884 825 HG13 ILE 111 1HG1 ILE 111 -3.410 4.533 -4.574 826 HG21 ILE 111 1HG2 ILE 111 -2.098 8.051 -2.599 827 HG22 ILE 111 2HG2 ILE 111 -1.588 6.478 -1.981 828 HG23 ILE 111 3HG2 ILE 111 -3.273 6.978 -1.835 829 HD11 ILE 111 3HD1 ILE 111 -2.166 3.025 -3.149 830 HD12 ILE 111 1HD1 ILE 111 -1.482 4.394 -2.274 831 HD13 ILE 111 2HD1 ILE 111 -1.075 4.141 -3.971 832 H GLU 112 H GLU 112 -2.019 8.304 -5.765 833 HA GLU 112 HA GLU 112 -1.797 10.734 -4.449 834 HB2 GLU 112 2HB GLU 112 -0.246 9.775 -6.209 835 HB3 GLU 112 1HB GLU 112 -1.396 10.347 -7.417 836 HG2 GLU 112 2HG GLU 112 0.358 11.948 -7.237 837 HG3 GLU 112 1HG GLU 112 -1.096 12.643 -6.521 838 H ILE 113 H ILE 113 -4.272 9.569 -6.437 839 HA ILE 113 HA ILE 113 -5.256 12.191 -7.204 840 HB ILE 113 HB ILE 113 -5.711 9.423 -8.069 841 HG12 ILE 113 2HG1 ILE 113 -5.938 10.486 -10.245 842 HG13 ILE 113 1HG1 ILE 113 -6.030 12.073 -9.490 843 HG21 ILE 113 1HG2 ILE 113 -7.918 9.723 -7.267 844 HG22 ILE 113 2HG2 ILE 113 -7.959 9.936 -9.015 845 HG23 ILE 113 3HG2 ILE 113 -8.019 11.344 -7.954 846 HD11 ILE 113 3HD1 ILE 113 -3.647 10.238 -9.407 847 HD12 ILE 113 1HD1 ILE 113 -3.742 11.857 -8.718 848 HD13 ILE 113 2HD1 ILE 113 -3.835 11.636 -10.465 849 H ASN 114 H ASN 114 -6.069 9.550 -5.001 850 HA ASN 114 HA ASN 114 -8.168 11.282 -3.873 851 HB2 ASN 114 2HB ASN 114 -8.282 8.287 -4.237 852 HB3 ASN 114 1HB ASN 114 -9.446 9.223 -3.304 853 HD21 ASN 114 1HD2 ASN 114 -9.751 7.584 -5.740 854 HD22 ASN 114 2HD2 ASN 114 -10.483 8.627 -6.905 855 H SER 115 H SER 115 -5.376 10.979 -3.037 856 HA SER 115 HA SER 115 -5.485 9.467 -0.576 857 HB2 SER 115 2HB SER 115 -3.186 10.257 -0.235 858 HB3 SER 115 1HB SER 115 -3.387 9.621 -1.871 859 HG SER 115 HG SER 115 -3.233 11.606 -2.684 860 H LEU 116 H LEU 116 -7.454 11.480 -0.816 861 HA LEU 116 HA LEU 116 -6.628 13.695 0.863 862 HB2 LEU 116 2HB LEU 116 -9.370 13.040 -0.194 863 HB3 LEU 116 1HB LEU 116 -8.837 14.573 0.473 864 HG LEU 116 HG LEU 116 -7.900 13.338 -2.117 865 HD11 LEU 116 1HD1 LEU 116 -9.052 15.240 -3.150 866 HD12 LEU 116 2HD1 LEU 116 -9.636 15.740 -1.563 867 HD13 LEU 116 3HD1 LEU 116 -10.164 14.207 -2.253 868 HD21 LEU 116 3HD2 LEU 116 -6.097 14.578 -1.080 869 HD22 LEU 116 1HD2 LEU 116 -7.165 15.956 -0.810 870 HD23 LEU 116 2HD2 LEU 116 -6.733 15.483 -2.455 Start of MODEL 43 1 H GLU 1 H GLU 1 20.455 8.183 7.182 2 HA GLU 1 HA GLU 1 18.855 7.232 9.319 3 HB2 GLU 1 2HB GLU 1 20.661 8.053 10.769 4 HB3 GLU 1 1HB GLU 1 20.523 9.649 10.050 5 HG2 GLU 1 2HG GLU 1 18.319 9.926 10.963 6 HG3 GLU 1 1HG GLU 1 18.322 8.271 11.567 7 H VAL 2 H VAL 2 17.051 7.645 8.209 8 HA VAL 2 HA VAL 2 16.430 10.448 7.618 9 HB VAL 2 HB VAL 2 17.158 9.466 5.500 10 HG11 VAL 2 1HG1 VAL 2 14.953 7.459 5.957 11 HG12 VAL 2 2HG1 VAL 2 16.687 7.131 5.949 12 HG13 VAL 2 3HG1 VAL 2 15.877 7.641 4.467 13 HG21 VAL 2 3HG2 VAL 2 14.178 9.912 5.638 14 HG22 VAL 2 1HG2 VAL 2 15.150 9.958 4.169 15 HG23 VAL 2 2HG2 VAL 2 15.413 11.154 5.438 16 H GLU 3 H GLU 3 15.347 7.186 8.289 17 HA GLU 3 HA GLU 3 12.802 8.285 9.245 18 HB2 GLU 3 2HB GLU 3 13.068 5.804 7.538 19 HB3 GLU 3 1HB GLU 3 11.586 6.354 8.304 20 HG2 GLU 3 2HG GLU 3 11.612 8.373 6.958 21 HG3 GLU 3 1HG GLU 3 13.133 7.873 6.217 22 H LYS 4 H LYS 4 14.304 5.061 8.968 23 HA LYS 4 HA LYS 4 14.625 4.878 11.835 24 HB2 LYS 4 2HB LYS 4 12.240 4.274 11.472 25 HB3 LYS 4 1HB LYS 4 12.758 2.971 10.411 26 HG2 LYS 4 2HG LYS 4 12.252 2.036 12.539 27 HG3 LYS 4 1HG LYS 4 14.003 1.994 12.334 28 HD2 LYS 4 2HD LYS 4 14.218 4.001 13.709 29 HD3 LYS 4 1HD LYS 4 12.465 4.069 13.894 30 HE2 LYS 4 2HE LYS 4 14.274 1.853 14.850 31 HE3 LYS 4 1HE LYS 4 13.512 3.081 15.860 32 HZ1 LYS 4 3HZ LYS 4 12.100 1.019 14.256 33 HZ2 LYS 4 1HZ LYS 4 11.347 2.214 15.188 34 HZ3 LYS 4 2HZ LYS 4 12.279 1.018 15.938 35 H SER 5 H SER 5 15.870 3.054 12.491 36 HA SER 5 HA SER 5 17.570 1.559 12.311 37 HB2 SER 5 2HB SER 5 15.885 0.161 11.193 38 HB3 SER 5 1HB SER 5 16.288 0.908 9.645 39 HG SER 5 HG SER 5 18.003 -0.660 11.279 40 H SER 6 H SER 6 19.457 0.865 10.802 41 HA SER 6 HA SER 6 20.241 2.992 8.962 42 HB2 SER 6 2HB SER 6 21.906 2.184 11.359 43 HB3 SER 6 1HB SER 6 22.438 3.260 10.067 44 HG SER 6 HG SER 6 20.894 3.795 12.232 45 H ASP 7 H ASP 7 20.126 1.480 7.303 46 HA ASP 7 HA ASP 7 20.864 -0.134 5.885 47 HB2 ASP 7 2HB ASP 7 23.433 0.097 7.467 48 HB3 ASP 7 1HB ASP 7 23.263 -0.618 5.867 49 H GLY 8 H GLY 8 19.462 -1.754 6.595 50 HA2 GLY 8 2HA GLY 8 20.811 -3.932 8.017 51 HA3 GLY 8 1HA GLY 8 19.277 -3.361 8.655 52 HA PRO 9 HA PRO 9 18.910 -6.659 5.131 53 HB2 PRO 9 2HB PRO 9 18.016 -8.373 7.379 54 HB3 PRO 9 1HB PRO 9 19.048 -8.770 6.002 55 HG2 PRO 9 2HG PRO 9 20.078 -8.477 8.445 56 HG3 PRO 9 1HG PRO 9 20.950 -7.912 7.008 57 HD2 PRO 9 2HD PRO 9 19.388 -6.340 9.019 58 HD3 PRO 9 1HD PRO 9 20.918 -5.937 8.212 59 H GLY 10 H GLY 10 17.159 -5.529 4.341 60 HA2 GLY 10 2HA GLY 10 14.907 -5.330 3.863 61 HA3 GLY 10 1HA GLY 10 14.572 -6.472 5.155 62 H ALA 11 H ALA 11 13.665 -3.613 4.233 63 HA ALA 11 HA ALA 11 13.098 -2.701 6.917 64 HB1 ALA 11 1HB ALA 11 14.707 -0.972 5.042 65 HB2 ALA 11 2HB ALA 11 15.271 -1.671 6.561 66 HB3 ALA 11 3HB ALA 11 14.001 -0.444 6.570 67 H ALA 12 H ALA 12 12.728 -2.584 3.498 68 HA ALA 12 HA ALA 12 10.935 -0.543 3.078 69 HB1 ALA 12 1HB ALA 12 10.838 -3.264 1.784 70 HB2 ALA 12 2HB ALA 12 11.927 -1.957 1.315 71 HB3 ALA 12 3HB ALA 12 10.182 -1.760 1.132 72 H GLN 13 H GLN 13 9.474 -0.227 4.710 73 HA GLN 13 HA GLN 13 7.941 -1.972 6.117 74 HB2 GLN 13 2HB GLN 13 6.217 -0.161 6.240 75 HB3 GLN 13 1HB GLN 13 7.855 0.370 6.603 76 HG2 GLN 13 2HG GLN 13 8.013 1.162 4.224 77 HG3 GLN 13 1HG GLN 13 6.288 0.830 4.081 78 HE21 GLN 13 1HE2 GLN 13 5.805 1.621 6.877 79 HE22 GLN 13 2HE2 GLN 13 5.865 3.346 6.888 80 H GLU 14 H GLU 14 6.170 -3.219 5.827 81 HA GLU 14 HA GLU 14 5.108 -3.391 3.089 82 HB2 GLU 14 2HB GLU 14 4.614 -5.701 3.516 83 HB3 GLU 14 1HB GLU 14 6.277 -5.402 4.003 84 HG2 GLU 14 2HG GLU 14 5.539 -5.235 6.342 85 HG3 GLU 14 1HG GLU 14 3.894 -5.604 5.825 86 HA PRO 15 HA PRO 15 1.049 -2.248 4.369 87 HB2 PRO 15 2HB PRO 15 -0.533 -3.955 2.954 88 HB3 PRO 15 1HB PRO 15 0.312 -2.582 2.230 89 HG2 PRO 15 2HG PRO 15 1.064 -5.475 2.253 90 HG3 PRO 15 1HG PRO 15 1.169 -4.298 0.930 91 HD2 PRO 15 2HD PRO 15 3.314 -5.030 2.407 92 HD3 PRO 15 1HD PRO 15 3.141 -3.408 1.709 93 H THR 16 H THR 16 -0.413 -2.661 5.932 94 HA THR 16 HA THR 16 -0.012 -4.660 7.813 95 HB THR 16 HB THR 16 -2.650 -3.274 7.304 96 HG1 THR 16 1HG THR 16 -1.841 -1.603 8.548 97 HG21 THR 16 3HG2 THR 16 -2.969 -3.557 9.711 98 HG22 THR 16 1HG2 THR 16 -1.412 -4.376 9.829 99 HG23 THR 16 2HG2 THR 16 -2.732 -5.116 8.922 100 H TRP 17 H TRP 17 -1.239 -6.523 8.389 101 HA TRP 17 HA TRP 17 -2.408 -7.868 6.056 102 HB2 TRP 17 2HB TRP 17 -0.413 -8.791 7.510 103 HB3 TRP 17 1HB TRP 17 -1.712 -9.321 8.574 104 HD1 TRP 17 HD TRP 17 -3.796 -10.620 6.893 105 HE1 TRP 17 1HE TRP 17 -3.337 -12.598 5.312 106 HE3 TRP 17 3HE TRP 17 1.242 -10.009 6.265 107 HZ2 TRP 17 2HZ TRP 17 -1.132 -13.747 3.975 108 HZ3 TRP 17 3HZ TRP 17 2.451 -11.591 4.819 109 HH2 TRP 17 HH TRP 17 1.286 -13.421 3.699 110 H LEU 18 H LEU 18 -4.416 -6.734 6.341 111 HA LEU 18 HA LEU 18 -6.013 -7.023 8.691 112 HB2 LEU 18 2HB LEU 18 -6.906 -6.390 5.878 113 HB3 LEU 18 1HB LEU 18 -7.770 -6.035 7.362 114 HG LEU 18 HG LEU 18 -5.118 -4.826 6.592 115 HD11 LEU 18 1HD1 LEU 18 -7.867 -3.609 6.519 116 HD12 LEU 18 2HD1 LEU 18 -6.915 -4.087 5.116 117 HD13 LEU 18 3HD1 LEU 18 -6.348 -2.786 6.164 118 HD21 LEU 18 3HD2 LEU 18 -5.733 -3.229 8.447 119 HD22 LEU 18 1HD2 LEU 18 -5.268 -4.856 8.947 120 HD23 LEU 18 2HD2 LEU 18 -6.969 -4.396 8.917 121 H THR 19 H THR 19 -6.229 -9.175 9.239 122 HA THR 19 HA THR 19 -7.084 -11.122 7.273 123 HB THR 19 HB THR 19 -6.986 -12.744 9.122 124 HG1 THR 19 1HG THR 19 -6.819 -10.396 10.607 125 HG21 THR 19 3HG2 THR 19 -4.953 -12.235 7.848 126 HG22 THR 19 1HG2 THR 19 -4.580 -12.627 9.526 127 HG23 THR 19 2HG2 THR 19 -4.563 -10.948 8.988 128 H ASP 20 H ASP 20 -8.645 -8.947 9.361 129 HA ASP 20 HA ASP 20 -11.165 -10.373 8.926 130 HB2 ASP 20 2HB ASP 20 -10.202 -9.337 11.595 131 HB3 ASP 20 1HB ASP 20 -11.872 -9.791 11.269 132 H VAL 21 H VAL 21 -13.033 -9.078 8.917 133 HA VAL 21 HA VAL 21 -12.817 -6.618 7.678 134 HB VAL 21 HB VAL 21 -15.162 -7.495 9.367 135 HG11 VAL 21 1HG1 VAL 21 -15.239 -5.158 8.658 136 HG12 VAL 21 2HG1 VAL 21 -16.473 -6.117 7.841 137 HG13 VAL 21 3HG1 VAL 21 -15.003 -5.656 6.983 138 HG21 VAL 21 3HG2 VAL 21 -14.512 -8.138 6.493 139 HG22 VAL 21 1HG2 VAL 21 -16.047 -8.483 7.286 140 HG23 VAL 21 2HG2 VAL 21 -14.572 -9.278 7.836 141 HA PRO 22 HA PRO 22 -13.729 -4.526 12.032 142 HB2 PRO 22 2HB PRO 22 -12.535 -5.926 14.098 143 HB3 PRO 22 1HB PRO 22 -14.262 -5.950 13.727 144 HG2 PRO 22 2HG PRO 22 -12.134 -7.908 12.972 145 HG3 PRO 22 1HG PRO 22 -13.793 -8.213 13.522 146 HD2 PRO 22 2HD PRO 22 -13.144 -8.405 10.943 147 HD3 PRO 22 1HD PRO 22 -14.702 -7.713 11.439 148 H ALA 23 H ALA 23 -10.812 -6.577 11.818 149 HA ALA 23 HA ALA 23 -9.045 -4.659 12.876 150 HB1 ALA 23 1HB ALA 23 -7.287 -6.074 12.212 151 HB2 ALA 23 2HB ALA 23 -8.229 -6.759 10.889 152 HB3 ALA 23 3HB ALA 23 -8.634 -7.160 12.560 153 H ALA 24 H ALA 24 -10.229 -5.313 9.682 154 HA ALA 24 HA ALA 24 -8.434 -3.684 8.233 155 HB1 ALA 24 1HB ALA 24 -11.257 -4.558 7.605 156 HB2 ALA 24 2HB ALA 24 -9.761 -5.325 7.075 157 HB3 ALA 24 3HB ALA 24 -10.197 -3.727 6.466 158 H MET 25 H MET 25 -11.816 -3.080 9.178 159 HA MET 25 HA MET 25 -11.873 -0.370 8.487 160 HB2 MET 25 2HB MET 25 -13.524 -1.737 10.621 161 HB3 MET 25 1HB MET 25 -13.924 -0.246 9.779 162 HG2 MET 25 2HG MET 25 -13.933 -1.588 7.648 163 HG3 MET 25 1HG MET 25 -13.828 -3.030 8.657 164 HE1 MET 25 3HE MET 25 -15.710 -3.765 10.393 165 HE2 MET 25 1HE MET 25 -17.164 -2.820 10.708 166 HE3 MET 25 2HE MET 25 -15.584 -2.189 11.175 167 H GLU 26 H GLU 26 -10.578 -1.987 11.270 168 HA GLU 26 HA GLU 26 -10.581 0.300 12.987 169 HB2 GLU 26 2HB GLU 26 -9.314 -2.403 13.064 170 HB3 GLU 26 1HB GLU 26 -8.689 -1.148 14.128 171 HG2 GLU 26 2HG GLU 26 -11.118 -0.817 14.856 172 HG3 GLU 26 1HG GLU 26 -11.420 -2.368 14.072 173 H PHE 27 H PHE 27 -8.050 -1.321 11.075 174 HA PHE 27 HA PHE 27 -6.020 0.521 11.622 175 HB2 PHE 27 2HB PHE 27 -6.481 -1.583 9.597 176 HB3 PHE 27 1HB PHE 27 -5.344 -0.321 9.133 177 HD1 PHE 27 2HD PHE 27 -3.251 -0.033 10.307 178 HD2 PHE 27 1HD PHE 27 -5.985 -3.100 11.412 179 HE1 PHE 27 2HE PHE 27 -1.486 -1.124 11.630 180 HE2 PHE 27 1HE PHE 27 -4.225 -4.196 12.739 181 HZ PHE 27 HZ PHE 27 -1.972 -3.208 12.848 182 H ILE 28 H ILE 28 -8.664 0.557 9.348 183 HA ILE 28 HA ILE 28 -7.737 2.832 7.869 184 HB ILE 28 HB ILE 28 -10.394 1.429 8.058 185 HG12 ILE 28 2HG1 ILE 28 -8.640 1.890 5.644 186 HG13 ILE 28 1HG1 ILE 28 -8.421 0.511 6.723 187 HG21 ILE 28 1HG2 ILE 28 -11.203 2.928 6.264 188 HG22 ILE 28 2HG2 ILE 28 -9.775 3.931 6.500 189 HG23 ILE 28 3HG2 ILE 28 -10.951 3.753 7.799 190 HD11 ILE 28 3HD1 ILE 28 -9.794 0.160 4.612 191 HD12 ILE 28 1HD1 ILE 28 -11.055 1.090 5.420 192 HD13 ILE 28 2HD1 ILE 28 -10.480 -0.421 6.130 193 H ALA 29 H ALA 29 -9.958 2.298 10.560 194 HA ALA 29 HA ALA 29 -10.835 4.998 10.758 195 HB1 ALA 29 1HB ALA 29 -12.203 3.207 11.626 196 HB2 ALA 29 2HB ALA 29 -11.755 4.295 12.940 197 HB3 ALA 29 3HB ALA 29 -10.934 2.742 12.761 198 H ALA 30 H ALA 30 -8.011 3.349 11.749 199 HA ALA 30 HA ALA 30 -7.358 5.314 13.810 200 HB1 ALA 30 1HB ALA 30 -5.412 3.904 14.253 201 HB2 ALA 30 2HB ALA 30 -5.840 2.880 12.883 202 HB3 ALA 30 3HB ALA 30 -6.906 2.968 14.285 203 H THR 31 H THR 31 -7.528 6.029 10.941 204 HA THR 31 HA THR 31 -5.210 7.652 10.789 205 HB THR 31 HB THR 31 -4.108 5.575 10.146 206 HG1 THR 31 1HG THR 31 -3.163 6.403 8.318 207 HG21 THR 31 3HG2 THR 31 -5.785 5.414 7.678 208 HG22 THR 31 1HG2 THR 31 -6.352 4.671 9.173 209 HG23 THR 31 2HG2 THR 31 -4.821 4.165 8.466 210 H GLU 32 H GLU 32 -5.228 9.091 8.994 211 HA GLU 32 HA GLU 32 -7.805 9.863 8.129 212 HB2 GLU 32 2HB GLU 32 -5.613 11.245 8.366 213 HB3 GLU 32 1HB GLU 32 -5.285 10.703 6.726 214 HG2 GLU 32 2HG GLU 32 -7.285 11.741 5.919 215 HG3 GLU 32 1HG GLU 32 -7.780 12.152 7.562 216 H VAL 33 H VAL 33 -5.103 9.044 5.952 217 HA VAL 33 HA VAL 33 -7.061 7.909 4.087 218 HB VAL 33 HB VAL 33 -4.177 8.593 3.532 219 HG11 VAL 33 1HG1 VAL 33 -6.517 8.032 1.712 220 HG12 VAL 33 2HG1 VAL 33 -5.099 7.004 1.962 221 HG13 VAL 33 3HG1 VAL 33 -4.921 8.577 1.181 222 HG21 VAL 33 3HG2 VAL 33 -5.112 10.616 2.422 223 HG22 VAL 33 1HG2 VAL 33 -5.296 10.614 4.177 224 HG23 VAL 33 2HG2 VAL 33 -6.675 10.229 3.144 225 H ALA 34 H ALA 34 -6.990 5.811 3.421 226 HA ALA 34 HA ALA 34 -4.775 4.126 4.325 227 HB1 ALA 34 1HB ALA 34 -7.673 3.643 4.972 228 HB2 ALA 34 2HB ALA 34 -6.337 3.865 6.101 229 HB3 ALA 34 3HB ALA 34 -6.422 2.407 5.109 230 H VAL 35 H VAL 35 -4.100 2.836 2.772 231 HA VAL 35 HA VAL 35 -5.976 2.135 0.617 232 HB VAL 35 HB VAL 35 -2.998 2.591 0.512 233 HG11 VAL 35 1HG1 VAL 35 -3.153 1.932 -1.877 234 HG12 VAL 35 2HG1 VAL 35 -4.795 1.359 -1.581 235 HG13 VAL 35 3HG1 VAL 35 -3.431 0.587 -0.771 236 HG21 VAL 35 3HG2 VAL 35 -3.685 4.202 -1.242 237 HG22 VAL 35 1HG2 VAL 35 -4.353 4.572 0.350 238 HG23 VAL 35 2HG2 VAL 35 -5.371 3.816 -0.877 239 H ILE 36 H ILE 36 -6.347 0.053 0.239 240 HA ILE 36 HA ILE 36 -4.611 -1.923 1.542 241 HB ILE 36 HB ILE 36 -7.615 -1.819 1.755 242 HG12 ILE 36 2HG1 ILE 36 -5.704 -1.875 4.055 243 HG13 ILE 36 1HG1 ILE 36 -5.960 -0.362 3.197 244 HG21 ILE 36 1HG2 ILE 36 -7.300 -3.808 3.253 245 HG22 ILE 36 2HG2 ILE 36 -5.644 -3.922 2.649 246 HG23 ILE 36 3HG2 ILE 36 -7.004 -4.114 1.541 247 HD11 ILE 36 3HD1 ILE 36 -8.021 -2.009 4.619 248 HD12 ILE 36 1HD1 ILE 36 -8.375 -0.580 3.649 249 HD13 ILE 36 2HD1 ILE 36 -7.382 -0.436 5.101 250 H GLY 37 H GLY 37 -4.231 -3.735 0.444 251 HA2 GLY 37 2HA GLY 37 -5.448 -3.974 -2.207 252 HA3 GLY 37 1HA GLY 37 -3.956 -4.732 -1.691 253 H PHE 38 H PHE 38 -7.384 -5.034 -1.917 254 HA PHE 38 HA PHE 38 -7.527 -7.431 -0.291 255 HB2 PHE 38 2HB PHE 38 -9.617 -6.253 -2.139 256 HB3 PHE 38 1HB PHE 38 -9.878 -7.467 -0.890 257 HD1 PHE 38 2HD PHE 38 -8.637 -3.982 -1.309 258 HD2 PHE 38 1HD PHE 38 -10.600 -6.807 1.193 259 HE1 PHE 38 2HE PHE 38 -9.103 -2.208 0.324 260 HE2 PHE 38 1HE PHE 38 -11.074 -5.030 2.829 261 HZ PHE 38 HZ PHE 38 -10.323 -2.729 2.396 262 H PHE 39 H PHE 39 -6.174 -8.908 -1.259 263 HA PHE 39 HA PHE 39 -6.822 -9.673 -4.026 264 HB2 PHE 39 2HB PHE 39 -4.270 -10.279 -2.539 265 HB3 PHE 39 1HB PHE 39 -4.575 -10.446 -4.268 266 HD1 PHE 39 2HD PHE 39 -5.810 -7.928 -4.989 267 HD2 PHE 39 1HD PHE 39 -2.617 -8.698 -2.287 268 HE1 PHE 39 2HE PHE 39 -4.951 -5.655 -5.363 269 HE2 PHE 39 1HE PHE 39 -1.754 -6.425 -2.654 270 HZ PHE 39 HZ PHE 39 -2.920 -4.900 -4.194 271 H GLN 40 H GLN 40 -7.354 -11.725 -4.522 272 HA GLN 40 HA GLN 40 -7.893 -13.558 -2.340 273 HB2 GLN 40 2HB GLN 40 -8.326 -13.897 -5.320 274 HB3 GLN 40 1HB GLN 40 -8.938 -14.962 -4.063 275 HG2 GLN 40 2HG GLN 40 -10.274 -13.086 -3.174 276 HG3 GLN 40 1HG GLN 40 -9.714 -12.091 -4.517 277 HE21 GLN 40 1HE2 GLN 40 -9.767 -14.332 -6.392 278 HE22 GLN 40 2HE2 GLN 40 -11.433 -14.607 -6.760 279 H ASP 41 H ASP 41 -5.350 -12.750 -4.242 280 HA ASP 41 HA ASP 41 -3.861 -15.144 -3.565 281 HB2 ASP 41 2HB ASP 41 -4.814 -15.628 -5.815 282 HB3 ASP 41 1HB ASP 41 -4.047 -14.164 -6.431 283 H LEU 42 H LEU 42 -1.910 -14.504 -2.823 284 HA LEU 42 HA LEU 42 -1.105 -11.752 -3.352 285 HB2 LEU 42 2HB LEU 42 -0.043 -13.760 -1.367 286 HB3 LEU 42 1HB LEU 42 0.544 -12.115 -1.538 287 HG LEU 42 HG LEU 42 -2.249 -12.905 -0.715 288 HD11 LEU 42 1HD1 LEU 42 -0.627 -13.374 1.024 289 HD12 LEU 42 2HD1 LEU 42 -1.592 -11.964 1.462 290 HD13 LEU 42 3HD1 LEU 42 0.052 -11.755 0.860 291 HD21 LEU 42 3HD2 LEU 42 -2.331 -10.834 -1.923 292 HD22 LEU 42 1HD2 LEU 42 -0.941 -10.208 -1.037 293 HD23 LEU 42 2HD2 LEU 42 -2.469 -10.477 -0.202 294 H GLU 43 H GLU 43 -0.845 -13.346 -5.549 295 HA GLU 43 HA GLU 43 2.073 -13.404 -5.874 296 HB2 GLU 43 2HB GLU 43 0.143 -15.479 -6.934 297 HB3 GLU 43 1HB GLU 43 1.852 -15.392 -7.338 298 HG2 GLU 43 2HG GLU 43 2.415 -15.766 -4.992 299 HG3 GLU 43 1HG GLU 43 0.698 -15.877 -4.605 300 H ILE 44 H ILE 44 -0.530 -11.813 -6.612 301 HA ILE 44 HA ILE 44 -0.250 -11.671 -9.509 302 HB ILE 44 HB ILE 44 -2.058 -9.859 -9.202 303 HG12 ILE 44 2HG1 ILE 44 -2.606 -11.247 -6.616 304 HG13 ILE 44 1HG1 ILE 44 -1.492 -9.890 -6.648 305 HG21 ILE 44 1HG2 ILE 44 -3.798 -11.502 -9.226 306 HG22 ILE 44 2HG2 ILE 44 -2.769 -12.680 -8.408 307 HG23 ILE 44 3HG2 ILE 44 -2.395 -12.173 -10.060 308 HD11 ILE 44 3HD1 ILE 44 -4.414 -9.948 -7.198 309 HD12 ILE 44 1HD1 ILE 44 -3.404 -8.664 -7.862 310 HD13 ILE 44 2HD1 ILE 44 -3.491 -8.901 -6.117 311 HA PRO 45 HA PRO 45 2.355 -8.125 -9.874 312 HB2 PRO 45 2HB PRO 45 0.121 -6.839 -11.382 313 HB3 PRO 45 1HB PRO 45 1.815 -7.027 -11.836 314 HG2 PRO 45 2HG PRO 45 -0.033 -8.576 -12.934 315 HG3 PRO 45 1HG PRO 45 1.534 -9.258 -12.457 316 HD2 PRO 45 2HD PRO 45 -1.124 -9.484 -11.108 317 HD3 PRO 45 1HD PRO 45 0.167 -10.691 -11.267 318 H ALA 46 H ALA 46 -0.953 -7.666 -8.842 319 HA ALA 46 HA ALA 46 -0.796 -4.963 -8.072 320 HB1 ALA 46 1HB ALA 46 -2.564 -7.012 -6.771 321 HB2 ALA 46 2HB ALA 46 -2.869 -6.384 -8.391 322 HB3 ALA 46 3HB ALA 46 -2.870 -5.290 -7.006 323 H VAL 47 H VAL 47 -0.068 -7.942 -6.295 324 HA VAL 47 HA VAL 47 0.110 -6.795 -3.748 325 HB VAL 47 HB VAL 47 1.888 -9.082 -4.511 326 HG11 VAL 47 1HG1 VAL 47 0.242 -8.440 -2.065 327 HG12 VAL 47 2HG1 VAL 47 1.990 -8.271 -2.224 328 HG13 VAL 47 3HG1 VAL 47 1.251 -9.872 -2.273 329 HG21 VAL 47 3HG2 VAL 47 -1.100 -9.214 -4.132 330 HG22 VAL 47 1HG2 VAL 47 -0.019 -10.601 -4.251 331 HG23 VAL 47 2HG2 VAL 47 -0.224 -9.523 -5.630 332 HA PRO 48 HA PRO 48 4.924 -6.299 -4.493 333 HB2 PRO 48 2HB PRO 48 4.973 -6.071 -7.450 334 HB3 PRO 48 1HB PRO 48 6.115 -6.875 -6.366 335 HG2 PRO 48 2HG PRO 48 4.443 -8.290 -7.881 336 HG3 PRO 48 1HG PRO 48 4.830 -8.797 -6.226 337 HD2 PRO 48 2HD PRO 48 2.383 -7.429 -7.264 338 HD3 PRO 48 1HD PRO 48 2.522 -8.723 -6.065 339 H ILE 49 H ILE 49 2.721 -4.965 -6.901 340 HA ILE 49 HA ILE 49 3.876 -2.414 -7.092 341 HB ILE 49 HB ILE 49 1.245 -3.589 -7.823 342 HG12 ILE 49 2HG1 ILE 49 3.010 -1.941 -9.575 343 HG13 ILE 49 1HG1 ILE 49 3.519 -3.565 -9.132 344 HG21 ILE 49 1HG2 ILE 49 1.792 -0.675 -7.550 345 HG22 ILE 49 2HG2 ILE 49 0.338 -1.588 -7.150 346 HG23 ILE 49 3HG2 ILE 49 0.738 -1.261 -8.835 347 HD11 ILE 49 3HD1 ILE 49 2.259 -3.260 -11.321 348 HD12 ILE 49 1HD1 ILE 49 0.823 -3.038 -10.321 349 HD13 ILE 49 2HD1 ILE 49 1.729 -4.552 -10.244 350 H LEU 50 H LEU 50 1.500 -3.769 -4.882 351 HA LEU 50 HA LEU 50 0.816 -1.246 -3.707 352 HB2 LEU 50 2HB LEU 50 -0.782 -3.045 -3.592 353 HB3 LEU 50 1HB LEU 50 0.375 -4.080 -2.785 354 HG LEU 50 HG LEU 50 0.342 -2.473 -0.851 355 HD11 LEU 50 1HD1 LEU 50 -2.050 -1.344 -2.297 356 HD12 LEU 50 2HD1 LEU 50 -0.503 -0.527 -2.081 357 HD13 LEU 50 3HD1 LEU 50 -1.502 -0.905 -0.678 358 HD21 LEU 50 3HD2 LEU 50 -1.558 -3.431 0.129 359 HD22 LEU 50 1HD2 LEU 50 -1.027 -4.618 -1.063 360 HD23 LEU 50 2HD2 LEU 50 -2.403 -3.567 -1.416 361 H HIS 51 H HIS 51 2.779 -4.024 -2.642 362 HA HIS 51 HA HIS 51 3.759 -2.960 -0.278 363 HB2 HIS 51 2HB HIS 51 4.997 -4.849 -2.278 364 HB3 HIS 51 1HB HIS 51 5.836 -4.386 -0.800 365 HD1 HIS 51 1HD HIS 51 2.281 -5.588 -1.498 366 HD2 HIS 51 2HD HIS 51 5.514 -6.353 0.996 367 HE1 HIS 51 1HE HIS 51 1.532 -7.443 0.028 368 HE2 HIS 51 2HE HIS 51 3.475 -7.831 1.581 369 H SER 52 H SER 52 4.525 -2.224 -3.571 370 HA SER 52 HA SER 52 6.961 -0.801 -2.975 371 HB2 SER 52 2HB SER 52 6.684 -1.900 -5.151 372 HB3 SER 52 1HB SER 52 5.289 -0.880 -5.500 373 HG SER 52 HG SER 52 7.464 -0.243 -6.351 374 H MET 53 H MET 53 3.628 0.071 -3.882 375 HA MET 53 HA MET 53 3.996 2.846 -3.889 376 HB2 MET 53 2HB MET 53 1.702 3.043 -4.044 377 HB3 MET 53 1HB MET 53 1.943 1.403 -4.623 378 HG2 MET 53 2HG MET 53 0.143 1.199 -3.198 379 HG3 MET 53 1HG MET 53 1.497 0.705 -2.191 380 HE1 MET 53 3HE MET 53 -1.196 1.354 -0.872 381 HE2 MET 53 1HE MET 53 -0.785 2.477 0.424 382 HE3 MET 53 2HE MET 53 0.237 1.074 0.117 383 H VAL 54 H VAL 54 3.719 0.550 -1.344 384 HA VAL 54 HA VAL 54 2.883 2.065 0.808 385 HB VAL 54 HB VAL 54 4.912 -0.155 0.699 386 HG11 VAL 54 1HG1 VAL 54 4.611 -0.382 3.114 387 HG12 VAL 54 2HG1 VAL 54 3.618 1.075 3.120 388 HG13 VAL 54 3HG1 VAL 54 5.323 1.174 2.688 389 HG21 VAL 54 3HG2 VAL 54 2.870 -1.072 0.109 390 HG22 VAL 54 1HG2 VAL 54 1.969 -0.008 1.188 391 HG23 VAL 54 2HG2 VAL 54 2.925 -1.332 1.852 392 H GLN 55 H GLN 55 6.207 1.609 -0.373 393 HA GLN 55 HA GLN 55 7.316 3.449 1.505 394 HB2 GLN 55 2HB GLN 55 8.603 2.561 -1.060 395 HB3 GLN 55 1HB GLN 55 9.375 3.084 0.429 396 HG2 GLN 55 2HG GLN 55 8.563 1.065 1.548 397 HG3 GLN 55 1HG GLN 55 7.836 0.534 0.029 398 HE21 GLN 55 1HE2 GLN 55 10.844 1.194 1.686 399 HE22 GLN 55 2HE2 GLN 55 11.851 0.262 0.636 400 H LYS 56 H LYS 56 5.560 3.821 -1.326 401 HA LYS 56 HA LYS 56 6.799 6.353 -2.083 402 HB2 LYS 56 2HB LYS 56 4.465 4.877 -3.314 403 HB3 LYS 56 1HB LYS 56 5.245 6.304 -3.980 404 HG2 LYS 56 2HG LYS 56 7.308 5.059 -4.286 405 HG3 LYS 56 1HG LYS 56 6.563 3.626 -3.575 406 HD2 LYS 56 2HD LYS 56 6.424 3.301 -5.900 407 HD3 LYS 56 1HD LYS 56 4.812 3.831 -5.418 408 HE2 LYS 56 2HE LYS 56 5.364 5.037 -7.383 409 HE3 LYS 56 1HE LYS 56 5.513 6.163 -6.035 410 HZ1 LYS 56 3HZ LYS 56 7.369 6.372 -7.558 411 HZ2 LYS 56 1HZ LYS 56 7.762 4.739 -7.349 412 HZ3 LYS 56 2HZ LYS 56 7.903 5.814 -6.053 413 H PHE 57 H PHE 57 4.228 5.113 -0.227 414 HA PHE 57 HA PHE 57 3.201 7.827 0.193 415 HB2 PHE 57 2HB PHE 57 1.629 5.361 -0.472 416 HB3 PHE 57 1HB PHE 57 0.896 6.705 0.402 417 HD1 PHE 57 1HD PHE 57 2.276 5.588 -2.792 418 HD2 PHE 57 2HD PHE 57 0.482 8.818 -0.682 419 HE1 PHE 57 1HE PHE 57 1.848 6.738 -4.923 420 HE2 PHE 57 2HE PHE 57 0.049 9.974 -2.810 421 HZ PHE 57 HZ PHE 57 0.732 8.933 -4.934 422 HA PRO 58 HA PRO 58 4.360 5.435 4.149 423 HB2 PRO 58 2HB PRO 58 5.468 7.756 5.229 424 HB3 PRO 58 1HB PRO 58 6.377 6.439 4.481 425 HG2 PRO 58 2HG PRO 58 5.475 9.033 3.299 426 HG3 PRO 58 1HG PRO 58 7.011 8.172 3.076 427 HD2 PRO 58 2HD PRO 58 5.139 8.092 1.189 428 HD3 PRO 58 1HD PRO 58 6.066 6.633 1.593 429 H GLY 59 H GLY 59 3.131 8.708 3.531 430 HA2 GLY 59 2HA GLY 59 1.825 9.100 5.987 431 HA3 GLY 59 1HA GLY 59 1.402 9.888 4.472 432 H VAL 60 H VAL 60 0.739 7.649 2.964 433 HA VAL 60 HA VAL 60 -1.947 7.196 3.747 434 HB VAL 60 HB VAL 60 -0.173 6.062 1.596 435 HG11 VAL 60 1HG1 VAL 60 -2.090 4.801 0.714 436 HG12 VAL 60 2HG1 VAL 60 -3.021 5.216 2.154 437 HG13 VAL 60 3HG1 VAL 60 -1.587 4.199 2.295 438 HG21 VAL 60 3HG2 VAL 60 -1.903 7.142 0.155 439 HG22 VAL 60 1HG2 VAL 60 -1.013 8.262 1.190 440 HG23 VAL 60 2HG2 VAL 60 -2.654 7.774 1.622 441 H SER 61 H SER 61 -2.934 5.322 4.567 442 HA SER 61 HA SER 61 -1.195 3.709 6.220 443 HB2 SER 61 2HB SER 61 -3.329 4.528 7.124 444 HB3 SER 61 1HB SER 61 -4.199 3.604 5.902 445 HG SER 61 HG SER 61 -3.629 2.737 8.218 446 H PHE 62 H PHE 62 -0.051 2.332 4.982 447 HA PHE 62 HA PHE 62 -1.042 0.870 2.793 448 HB2 PHE 62 2HB PHE 62 1.007 -0.639 3.374 449 HB3 PHE 62 1HB PHE 62 1.274 1.013 2.822 450 HD1 PHE 62 1HD PHE 62 1.348 -1.231 5.728 451 HD2 PHE 62 2HD PHE 62 2.169 2.687 4.283 452 HE1 PHE 62 1HE PHE 62 2.643 -0.756 7.762 453 HE2 PHE 62 2HE PHE 62 3.466 3.167 6.316 454 HZ PHE 62 HZ PHE 62 3.706 1.445 8.060 455 H GLY 63 H GLY 63 -2.249 -0.890 2.677 456 HA2 GLY 63 2HA GLY 63 -2.298 -2.776 4.913 457 HA3 GLY 63 1HA GLY 63 -3.823 -2.029 4.451 458 H ILE 64 H ILE 64 -3.450 -4.775 4.388 459 HA ILE 64 HA ILE 64 -4.129 -5.313 1.654 460 HB ILE 64 HB ILE 64 -1.503 -5.413 1.980 461 HG12 ILE 64 2HG1 ILE 64 -3.062 -7.506 0.458 462 HG13 ILE 64 1HG1 ILE 64 -2.720 -5.875 -0.099 463 HG21 ILE 64 1HG2 ILE 64 -2.359 -8.169 2.843 464 HG22 ILE 64 2HG2 ILE 64 -1.504 -6.983 3.826 465 HG23 ILE 64 3HG2 ILE 64 -0.718 -7.693 2.417 466 HD11 ILE 64 3HD1 ILE 64 -0.318 -6.393 -0.059 467 HD12 ILE 64 1HD1 ILE 64 -1.225 -7.436 -1.152 468 HD13 ILE 64 2HD1 ILE 64 -0.704 -8.049 0.416 469 H SER 65 H SER 65 -5.279 -7.234 1.429 470 HA SER 65 HA SER 65 -5.527 -8.961 3.769 471 HB2 SER 65 2HB SER 65 -7.235 -7.287 4.167 472 HB3 SER 65 1HB SER 65 -7.864 -7.488 2.533 473 HG SER 65 HG SER 65 -7.722 -9.817 3.987 474 H THR 66 H THR 66 -6.631 -10.947 3.364 475 HA THR 66 HA THR 66 -7.085 -11.644 0.563 476 HB THR 66 HB THR 66 -5.794 -13.738 0.798 477 HG1 THR 66 1HG THR 66 -5.047 -12.565 3.283 478 HG21 THR 66 3HG2 THR 66 -4.799 -11.695 -0.213 479 HG22 THR 66 1HG2 THR 66 -3.611 -12.778 0.513 480 HG23 THR 66 2HG2 THR 66 -4.099 -11.310 1.361 481 H ASP 67 H ASP 67 -8.202 -11.556 3.606 482 HA ASP 67 HA ASP 67 -9.368 -14.149 3.889 483 HB2 ASP 67 2HB ASP 67 -8.901 -12.676 5.821 484 HB3 ASP 67 1HB ASP 67 -10.121 -11.548 5.241 485 H SER 68 H SER 68 -11.470 -14.800 3.508 486 HA SER 68 HA SER 68 -12.748 -13.680 1.259 487 HB2 SER 68 2HB SER 68 -14.528 -15.336 1.702 488 HB3 SER 68 1HB SER 68 -12.923 -16.060 1.787 489 HG SER 68 HG SER 68 -13.543 -16.709 3.683 490 H GLU 69 H GLU 69 -13.723 -13.729 4.694 491 HA GLU 69 HA GLU 69 -16.124 -12.400 4.513 492 HB2 GLU 69 2HB GLU 69 -14.090 -12.011 6.707 493 HB3 GLU 69 1HB GLU 69 -15.821 -11.728 6.816 494 HG2 GLU 69 2HG GLU 69 -16.211 -14.127 6.418 495 HG3 GLU 69 1HG GLU 69 -14.467 -14.382 6.411 496 H VAL 70 H VAL 70 -12.886 -10.967 4.683 497 HA VAL 70 HA VAL 70 -13.857 -8.293 4.725 498 HB VAL 70 HB VAL 70 -11.124 -9.393 4.066 499 HG11 VAL 70 1HG1 VAL 70 -12.029 -6.534 4.341 500 HG12 VAL 70 2HG1 VAL 70 -11.306 -7.300 2.925 501 HG13 VAL 70 3HG1 VAL 70 -10.342 -7.045 4.380 502 HG21 VAL 70 3HG2 VAL 70 -11.538 -9.761 6.340 503 HG22 VAL 70 1HG2 VAL 70 -12.374 -8.219 6.525 504 HG23 VAL 70 2HG2 VAL 70 -10.625 -8.250 6.301 505 H LEU 71 H LEU 71 -12.329 -10.257 2.176 506 HA LEU 71 HA LEU 71 -12.601 -8.390 0.111 507 HB2 LEU 71 2HB LEU 71 -12.241 -11.344 0.236 508 HB3 LEU 71 1HB LEU 71 -12.684 -10.627 -1.301 509 HG LEU 71 HG LEU 71 -10.691 -9.340 -1.391 510 HD11 LEU 71 1HD1 LEU 71 -10.184 -10.225 1.442 511 HD12 LEU 71 2HD1 LEU 71 -10.553 -8.592 0.889 512 HD13 LEU 71 3HD1 LEU 71 -9.029 -9.354 0.432 513 HD21 LEU 71 3HD2 LEU 71 -10.371 -11.619 -2.070 514 HD22 LEU 71 1HD2 LEU 71 -10.107 -12.124 -0.400 515 HD23 LEU 71 2HD2 LEU 71 -8.933 -11.078 -1.204 516 H THR 72 H THR 72 -14.934 -10.176 1.773 517 HA THR 72 HA THR 72 -16.907 -10.077 -0.367 518 HB THR 72 HB THR 72 -17.125 -11.070 2.485 519 HG1 THR 72 1HG THR 72 -16.551 -12.269 0.008 520 HG21 THR 72 3HG2 THR 72 -19.294 -10.333 1.772 521 HG22 THR 72 1HG2 THR 72 -19.262 -12.094 1.666 522 HG23 THR 72 2HG2 THR 72 -19.105 -11.118 0.203 523 H HIS 73 H HIS 73 -16.241 -8.635 2.784 524 HA HIS 73 HA HIS 73 -18.587 -7.121 3.040 525 HB2 HIS 73 2HB HIS 73 -16.939 -7.541 4.870 526 HB3 HIS 73 1HB HIS 73 -15.830 -6.423 4.081 527 HD1 HIS 73 1HD HIS 73 -18.665 -6.557 6.397 528 HD2 HIS 73 2HD HIS 73 -16.770 -3.682 4.072 529 HE1 HIS 73 1HE HIS 73 -19.441 -4.343 7.305 530 HE2 HIS 73 2HE HIS 73 -18.350 -2.621 5.823 531 H TYR 74 H TYR 74 -15.493 -6.434 1.487 532 HA TYR 74 HA TYR 74 -16.420 -3.804 0.647 533 HB2 TYR 74 2HB TYR 74 -13.789 -5.244 0.293 534 HB3 TYR 74 1HB TYR 74 -14.125 -3.661 -0.397 535 HD1 TYR 74 1HD TYR 74 -14.075 -5.476 2.860 536 HD2 TYR 74 2HD TYR 74 -13.689 -1.745 0.852 537 HE1 TYR 74 1HE TYR 74 -13.382 -4.421 4.969 538 HE2 TYR 74 2HE TYR 74 -12.994 -0.680 2.957 539 HH TYR 74 HH TYR 74 -13.218 -1.054 5.372 540 H ASN 75 H ASN 75 -17.212 -6.684 -0.338 541 HA ASN 75 HA ASN 75 -17.992 -7.610 -2.258 542 HB2 ASN 75 2HB ASN 75 -17.977 -4.721 -3.140 543 HB3 ASN 75 1HB ASN 75 -18.790 -6.029 -4.000 544 HD21 ASN 75 1HD2 ASN 75 -19.600 -7.373 -1.545 545 HD22 ASN 75 2HD2 ASN 75 -20.893 -6.435 -0.887 546 H ILE 76 H ILE 76 -15.064 -7.190 -1.894 547 HA ILE 76 HA ILE 76 -13.794 -6.580 -4.317 548 HB ILE 76 HB ILE 76 -12.857 -8.563 -2.243 549 HG12 ILE 76 2HG1 ILE 76 -13.467 -6.426 -1.208 550 HG13 ILE 76 1HG1 ILE 76 -11.731 -6.675 -1.169 551 HG21 ILE 76 1HG2 ILE 76 -10.611 -7.911 -3.016 552 HG22 ILE 76 2HG2 ILE 76 -11.355 -6.932 -4.277 553 HG23 ILE 76 3HG2 ILE 76 -11.573 -8.680 -4.278 554 HD11 ILE 76 3HD1 ILE 76 -13.191 -4.932 -3.143 555 HD12 ILE 76 1HD1 ILE 76 -11.444 -5.140 -3.024 556 HD13 ILE 76 2HD1 ILE 76 -12.330 -4.367 -1.712 557 H THR 77 H THR 77 -13.962 -7.574 -6.221 558 HA THR 77 HA THR 77 -14.163 -10.503 -6.279 559 HB THR 77 HB THR 77 -15.811 -10.393 -8.112 560 HG1 THR 77 1HG THR 77 -16.755 -7.920 -7.719 561 HG21 THR 77 3HG2 THR 77 -16.693 -8.969 -5.601 562 HG22 THR 77 1HG2 THR 77 -16.591 -10.716 -5.822 563 HG23 THR 77 2HG2 THR 77 -17.754 -9.776 -6.757 564 H GLY 78 H GLY 78 -11.775 -9.513 -6.652 565 HA2 GLY 78 2HA GLY 78 -10.752 -10.425 -8.950 566 HA3 GLY 78 1HA GLY 78 -11.320 -8.837 -9.442 567 H ASN 79 H ASN 79 -9.785 -9.910 -6.419 568 HA ASN 79 HA ASN 79 -8.003 -9.073 -5.269 569 HB2 ASN 79 2HB ASN 79 -6.862 -8.804 -8.053 570 HB3 ASN 79 1HB ASN 79 -5.937 -8.868 -6.558 571 HD21 ASN 79 1HD2 ASN 79 -5.717 -10.820 -5.477 572 HD22 ASN 79 2HD2 ASN 79 -6.084 -12.333 -6.224 573 H THR 80 H THR 80 -9.975 -7.224 -5.682 574 HA THR 80 HA THR 80 -9.120 -4.785 -6.833 575 HB THR 80 HB THR 80 -11.248 -5.322 -4.746 576 HG1 THR 80 1HG THR 80 -12.597 -5.591 -6.445 577 HG21 THR 80 3HG2 THR 80 -10.911 -2.911 -6.533 578 HG22 THR 80 1HG2 THR 80 -10.588 -2.948 -4.801 579 HG23 THR 80 2HG2 THR 80 -12.229 -3.193 -5.398 580 H ILE 81 H ILE 81 -8.568 -2.830 -5.820 581 HA ILE 81 HA ILE 81 -7.404 -3.041 -3.115 582 HB ILE 81 HB ILE 81 -6.447 -1.379 -5.460 583 HG12 ILE 81 2HG1 ILE 81 -5.143 -3.644 -3.933 584 HG13 ILE 81 1HG1 ILE 81 -5.768 -3.731 -5.576 585 HG21 ILE 81 1HG2 ILE 81 -6.301 -0.140 -3.341 586 HG22 ILE 81 2HG2 ILE 81 -4.711 -0.530 -3.996 587 HG23 ILE 81 3HG2 ILE 81 -5.360 -1.461 -2.647 588 HD11 ILE 81 3HD1 ILE 81 -4.099 -2.015 -6.229 589 HD12 ILE 81 1HD1 ILE 81 -3.399 -3.534 -5.668 590 HD13 ILE 81 2HD1 ILE 81 -3.420 -2.128 -4.603 591 H CYS 82 H CYS 82 -8.481 -1.815 -1.672 592 HA CYS 82 HA CYS 82 -10.081 0.401 -2.742 593 HB2 CYS 82 2HB CYS 82 -10.452 -1.161 -0.194 594 HB3 CYS 82 1HB CYS 82 -11.468 0.177 -0.716 595 HG CYS 82 HG CYS 82 -11.227 -2.190 -3.040 596 H LEU 83 H LEU 83 -9.869 2.413 -2.076 597 HA LEU 83 HA LEU 83 -7.885 2.983 0.014 598 HB2 LEU 83 2HB LEU 83 -7.066 3.997 -1.889 599 HB3 LEU 83 1HB LEU 83 -8.658 4.345 -2.524 600 HG LEU 83 HG LEU 83 -8.924 6.217 -1.032 601 HD11 LEU 83 1HD1 LEU 83 -7.410 6.863 0.641 602 HD12 LEU 83 2HD1 LEU 83 -6.180 5.728 0.083 603 HD13 LEU 83 3HD1 LEU 83 -7.639 5.129 0.869 604 HD21 LEU 83 3HD2 LEU 83 -6.256 6.167 -2.425 605 HD22 LEU 83 1HD2 LEU 83 -6.995 7.625 -1.763 606 HD23 LEU 83 2HD2 LEU 83 -7.797 6.743 -3.062 607 H PHE 84 H PHE 84 -8.979 3.271 1.886 608 HA PHE 84 HA PHE 84 -11.496 4.762 1.837 609 HB2 PHE 84 2HB PHE 84 -11.123 2.493 3.074 610 HB3 PHE 84 1HB PHE 84 -10.347 3.490 4.301 611 HD1 PHE 84 2HD PHE 84 -11.758 5.562 5.097 612 HD2 PHE 84 1HD PHE 84 -13.382 2.102 3.225 613 HE1 PHE 84 2HE PHE 84 -13.959 6.075 6.067 614 HE2 PHE 84 1HE PHE 84 -15.586 2.610 4.191 615 HZ PHE 84 HZ PHE 84 -15.877 4.598 5.615 616 H ARG 85 H ARG 85 -11.545 6.836 2.363 617 HA ARG 85 HA ARG 85 -9.244 7.980 3.806 618 HB2 ARG 85 2HB ARG 85 -11.155 9.819 2.511 619 HB3 ARG 85 1HB ARG 85 -9.398 9.840 2.527 620 HG2 ARG 85 2HG ARG 85 -9.353 8.087 0.830 621 HG3 ARG 85 1HG ARG 85 -11.123 8.083 0.800 622 HD2 ARG 85 2HD ARG 85 -9.267 10.309 -0.023 623 HD3 ARG 85 1HD ARG 85 -10.378 9.396 -1.044 624 HE ARG 85 HE ARG 85 -11.762 10.747 1.040 625 HH11 ARG 85 1HH1 ARG 85 -10.229 11.235 -2.052 626 HH12 ARG 85 2HH1 ARG 85 -11.181 12.626 -2.449 627 HH21 ARG 85 1HH2 ARG 85 -13.019 12.582 0.524 628 HH22 ARG 85 2HH2 ARG 85 -12.764 13.393 -0.986 629 H LEU 86 H LEU 86 -9.893 7.572 5.871 630 HA LEU 86 HA LEU 86 -12.228 7.653 7.171 631 HB2 LEU 86 2HB LEU 86 -10.504 7.152 8.565 632 HB3 LEU 86 1HB LEU 86 -9.468 8.408 7.920 633 HG LEU 86 HG LEU 86 -10.889 10.079 9.178 634 HD11 LEU 86 1HD1 LEU 86 -11.903 7.580 10.529 635 HD12 LEU 86 2HD1 LEU 86 -12.851 8.658 9.503 636 HD13 LEU 86 3HD1 LEU 86 -12.214 9.239 11.043 637 HD21 LEU 86 3HD2 LEU 86 -9.815 9.561 11.350 638 HD22 LEU 86 1HD2 LEU 86 -8.710 9.475 9.977 639 HD23 LEU 86 2HD2 LEU 86 -9.339 7.992 10.699 640 H VAL 87 H VAL 87 -10.284 10.585 6.582 641 HA VAL 87 HA VAL 87 -11.764 12.476 7.856 642 HB VAL 87 HB VAL 87 -11.207 13.863 5.600 643 HG11 VAL 87 1HG1 VAL 87 -10.416 14.454 7.789 644 HG12 VAL 87 2HG1 VAL 87 -9.039 14.395 6.689 645 HG13 VAL 87 3HG1 VAL 87 -9.327 13.070 7.816 646 HG21 VAL 87 3HG2 VAL 87 -10.435 11.911 4.394 647 HG22 VAL 87 1HG2 VAL 87 -9.286 11.543 5.683 648 HG23 VAL 87 2HG2 VAL 87 -9.083 13.002 4.708 649 H ASP 88 H ASP 88 -12.277 11.617 4.430 650 HA ASP 88 HA ASP 88 -14.946 12.787 4.624 651 HB2 ASP 88 2HB ASP 88 -13.190 12.106 2.274 652 HB3 ASP 88 1HB ASP 88 -14.886 12.549 2.087 653 H ASN 89 H ASN 89 -13.937 10.043 5.499 654 HA ASN 89 HA ASN 89 -14.578 7.854 5.448 655 HB2 ASN 89 2HB ASN 89 -16.913 7.554 5.876 656 HB3 ASN 89 1HB ASN 89 -16.436 9.092 6.585 657 HD21 ASN 89 1HD2 ASN 89 -17.192 11.000 5.711 658 HD22 ASN 89 2HD2 ASN 89 -18.502 11.049 4.585 659 H GLU 90 H GLU 90 -13.818 8.848 2.839 660 HA GLU 90 HA GLU 90 -15.690 7.748 0.938 661 HB2 GLU 90 2HB GLU 90 -12.848 8.686 0.523 662 HB3 GLU 90 1HB GLU 90 -14.016 8.337 -0.743 663 HG2 GLU 90 2HG GLU 90 -14.324 10.480 1.338 664 HG3 GLU 90 1HG GLU 90 -13.736 10.738 -0.303 665 H GLN 91 H GLN 91 -15.075 6.087 -0.611 666 HA GLN 91 HA GLN 91 -13.012 4.223 0.239 667 HB2 GLN 91 2HB GLN 91 -15.027 3.503 1.459 668 HB3 GLN 91 1HB GLN 91 -15.906 3.393 -0.059 669 HG2 GLN 91 2HG GLN 91 -13.393 1.844 0.169 670 HG3 GLN 91 1HG GLN 91 -14.780 1.290 1.108 671 HE21 GLN 91 1HE2 GLN 91 -16.711 2.253 -0.848 672 HE22 GLN 91 2HE2 GLN 91 -16.642 1.155 -2.179 673 H LEU 92 H LEU 92 -11.941 4.667 -1.663 674 HA LEU 92 HA LEU 92 -13.256 4.442 -4.213 675 HB2 LEU 92 2HB LEU 92 -10.313 4.660 -3.556 676 HB3 LEU 92 1HB LEU 92 -11.010 4.799 -5.155 677 HG LEU 92 HG LEU 92 -10.527 6.998 -4.459 678 HD11 LEU 92 1HD1 LEU 92 -12.715 8.081 -4.304 679 HD12 LEU 92 2HD1 LEU 92 -13.459 6.516 -3.970 680 HD13 LEU 92 3HD1 LEU 92 -12.689 6.811 -5.530 681 HD21 LEU 92 3HD2 LEU 92 -10.966 7.943 -2.370 682 HD22 LEU 92 1HD2 LEU 92 -10.367 6.325 -2.008 683 HD23 LEU 92 2HD2 LEU 92 -12.097 6.665 -1.927 684 H ASN 93 H ASN 93 -12.854 2.817 -5.783 685 HA ASN 93 HA ASN 93 -11.691 0.344 -4.681 686 HB2 ASN 93 2HB ASN 93 -13.436 -0.801 -6.237 687 HB3 ASN 93 1HB ASN 93 -13.948 -0.197 -4.667 688 HD21 ASN 93 1HD2 ASN 93 -14.059 0.282 -8.102 689 HD22 ASN 93 2HD2 ASN 93 -15.356 1.423 -8.107 690 H LEU 94 H LEU 94 -10.117 -0.459 -5.793 691 HA LEU 94 HA LEU 94 -9.818 0.221 -8.642 692 HB2 LEU 94 2HB LEU 94 -8.037 0.871 -6.835 693 HB3 LEU 94 1HB LEU 94 -7.615 -0.827 -6.884 694 HG LEU 94 HG LEU 94 -7.691 0.638 -9.467 695 HD11 LEU 94 1HD1 LEU 94 -5.507 0.936 -7.408 696 HD12 LEU 94 2HD1 LEU 94 -6.518 2.222 -8.071 697 HD13 LEU 94 3HD1 LEU 94 -5.360 1.386 -9.107 698 HD21 LEU 94 3HD2 LEU 94 -7.235 -1.773 -9.326 699 HD22 LEU 94 1HD2 LEU 94 -5.839 -1.438 -8.303 700 HD23 LEU 94 2HD2 LEU 94 -5.867 -0.869 -9.973 701 H GLU 95 H GLU 95 -11.375 -1.487 -9.013 702 HA GLU 95 HA GLU 95 -10.798 -4.177 -8.210 703 HB2 GLU 95 2HB GLU 95 -12.829 -3.236 -10.224 704 HB3 GLU 95 1HB GLU 95 -12.810 -4.771 -9.367 705 HG2 GLU 95 2HG GLU 95 -13.297 -3.719 -7.301 706 HG3 GLU 95 1HG GLU 95 -13.053 -2.114 -7.989 707 H ASP 96 H ASP 96 -11.568 -5.655 -10.370 708 HA ASP 96 HA ASP 96 -9.197 -6.266 -11.627 709 HB2 ASP 96 2HB ASP 96 -11.061 -7.811 -11.560 710 HB3 ASP 96 1HB ASP 96 -12.013 -6.759 -12.603 711 H GLU 97 H GLU 97 -11.703 -4.021 -12.702 712 HA GLU 97 HA GLU 97 -10.840 -3.613 -15.321 713 HB2 GLU 97 2HB GLU 97 -12.046 -1.594 -13.415 714 HB3 GLU 97 1HB GLU 97 -11.940 -1.405 -15.160 715 HG2 GLU 97 2HG GLU 97 -13.376 -3.359 -15.457 716 HG3 GLU 97 1HG GLU 97 -13.488 -3.539 -13.708 717 H ASP 98 H ASP 98 -9.303 -2.911 -12.413 718 HA ASP 98 HA ASP 98 -7.292 -1.276 -13.791 719 HB2 ASP 98 2HB ASP 98 -8.329 -0.880 -10.970 720 HB3 ASP 98 1HB ASP 98 -6.969 -0.009 -11.682 721 H ILE 99 H ILE 99 -7.970 -4.023 -11.911 722 HA ILE 99 HA ILE 99 -5.295 -4.250 -10.783 723 HB ILE 99 HB ILE 99 -7.729 -6.026 -10.558 724 HG12 ILE 99 2HG1 ILE 99 -7.704 -3.830 -9.359 725 HG13 ILE 99 1HG1 ILE 99 -7.885 -5.235 -8.319 726 HG21 ILE 99 1HG2 ILE 99 -4.972 -6.395 -9.408 727 HG22 ILE 99 2HG2 ILE 99 -5.889 -7.517 -10.416 728 HG23 ILE 99 3HG2 ILE 99 -6.407 -7.190 -8.761 729 HD11 ILE 99 3HD1 ILE 99 -5.477 -5.084 -7.786 730 HD12 ILE 99 1HD1 ILE 99 -6.400 -3.663 -7.298 731 HD13 ILE 99 2HD1 ILE 99 -5.394 -3.606 -8.746 732 H GLU 100 H GLU 100 -7.143 -5.417 -13.468 733 HA GLU 100 HA GLU 100 -5.840 -7.782 -14.099 734 HB2 GLU 100 2HB GLU 100 -7.845 -6.994 -15.270 735 HB3 GLU 100 1HB GLU 100 -6.920 -5.685 -15.993 736 HG2 GLU 100 2HG GLU 100 -5.535 -7.325 -17.169 737 HG3 GLU 100 1HG GLU 100 -6.491 -8.627 -16.463 738 H SER 101 H SER 101 -5.057 -4.491 -15.202 739 HA SER 101 HA SER 101 -2.326 -5.434 -15.784 740 HB2 SER 101 2HB SER 101 -2.207 -3.688 -17.527 741 HB3 SER 101 1HB SER 101 -3.512 -4.830 -17.844 742 HG SER 101 HG SER 101 -3.645 -2.176 -17.501 743 H ILE 102 H ILE 102 -3.210 -4.512 -13.248 744 HA ILE 102 HA ILE 102 -2.757 -1.820 -12.724 745 HB ILE 102 HB ILE 102 -3.719 -3.339 -11.068 746 HG12 ILE 102 2HG1 ILE 102 -2.309 -2.565 -9.095 747 HG13 ILE 102 1HG1 ILE 102 -1.198 -1.882 -10.274 748 HG21 ILE 102 1HG2 ILE 102 -2.156 -4.788 -9.745 749 HG22 ILE 102 2HG2 ILE 102 -0.935 -4.504 -10.986 750 HG23 ILE 102 3HG2 ILE 102 -2.440 -5.327 -11.399 751 HD11 ILE 102 3HD1 ILE 102 -4.101 -1.150 -10.066 752 HD12 ILE 102 1HD1 ILE 102 -2.882 -0.391 -11.087 753 HD13 ILE 102 2HD1 ILE 102 -2.780 -0.242 -9.332 754 H ASP 103 H ASP 103 -0.996 -0.614 -12.216 755 HA ASP 103 HA ASP 103 1.644 -1.884 -12.284 756 HB2 ASP 103 2HB ASP 103 0.930 0.635 -13.798 757 HB3 ASP 103 1HB ASP 103 2.526 -0.101 -13.702 758 H ALA 104 H ALA 104 3.259 -0.753 -11.082 759 HA ALA 104 HA ALA 104 2.465 0.352 -8.702 760 HB1 ALA 104 1HB ALA 104 5.038 0.867 -10.176 761 HB2 ALA 104 2HB ALA 104 4.710 -0.438 -9.034 762 HB3 ALA 104 3HB ALA 104 4.747 1.234 -8.473 763 H THR 105 H THR 105 3.071 1.970 -11.752 764 HA THR 105 HA THR 105 2.910 4.632 -10.859 765 HB THR 105 HB THR 105 2.136 3.474 -13.545 766 HG1 THR 105 1HG THR 105 4.504 3.777 -12.376 767 HG21 THR 105 3HG2 THR 105 1.115 5.621 -13.312 768 HG22 THR 105 1HG2 THR 105 2.535 5.807 -14.344 769 HG23 THR 105 2HG2 THR 105 2.600 6.314 -12.656 770 H LYS 106 H LYS 106 0.443 2.431 -12.145 771 HA LYS 106 HA LYS 106 -1.726 4.191 -12.059 772 HB2 LYS 106 2HB LYS 106 -1.723 1.183 -11.709 773 HB3 LYS 106 1HB LYS 106 -3.131 2.165 -12.091 774 HG2 LYS 106 2HG LYS 106 -2.236 2.753 -14.223 775 HG3 LYS 106 1HG LYS 106 -0.684 2.007 -13.834 776 HD2 LYS 106 2HD LYS 106 -1.926 0.525 -15.273 777 HD3 LYS 106 1HD LYS 106 -1.838 -0.184 -13.661 778 HE2 LYS 106 2HE LYS 106 -4.091 0.551 -13.177 779 HE3 LYS 106 1HE LYS 106 -4.184 1.381 -14.732 780 HZ1 LYS 106 3HZ LYS 106 -3.840 -1.549 -14.383 781 HZ2 LYS 106 1HZ LYS 106 -4.016 -0.731 -15.854 782 HZ3 LYS 106 2HZ LYS 106 -5.300 -0.782 -14.754 783 H LEU 107 H LEU 107 -0.950 1.608 -9.687 784 HA LEU 107 HA LEU 107 -2.847 2.212 -7.792 785 HB2 LEU 107 2HB LEU 107 -0.651 0.540 -7.914 786 HB3 LEU 107 1HB LEU 107 -0.236 1.622 -6.602 787 HG LEU 107 HG LEU 107 -2.452 -0.380 -6.770 788 HD11 LEU 107 1HD1 LEU 107 -1.636 -0.765 -4.402 789 HD12 LEU 107 2HD1 LEU 107 -0.302 0.324 -4.790 790 HD13 LEU 107 3HD1 LEU 107 -0.514 -1.173 -5.698 791 HD21 LEU 107 3HD2 LEU 107 -2.434 2.021 -4.941 792 HD22 LEU 107 1HD2 LEU 107 -3.488 0.616 -4.763 793 HD23 LEU 107 2HD2 LEU 107 -3.630 1.650 -6.182 794 H SER 108 H SER 108 0.495 3.444 -7.870 795 HA SER 108 HA SER 108 0.273 5.240 -5.746 796 HB2 SER 108 2HB SER 108 2.019 5.434 -8.211 797 HB3 SER 108 1HB SER 108 2.250 6.353 -6.725 798 HG SER 108 HG SER 108 2.253 4.087 -5.757 799 H ARG 109 H ARG 109 -0.711 5.511 -9.077 800 HA ARG 109 HA ARG 109 -1.070 8.322 -9.108 801 HB2 ARG 109 2HB ARG 109 -0.822 6.910 -11.147 802 HB3 ARG 109 1HB ARG 109 -2.405 6.227 -10.828 803 HG2 ARG 109 2HG ARG 109 -2.050 9.179 -11.157 804 HG3 ARG 109 1HG ARG 109 -2.194 8.114 -12.557 805 HD2 ARG 109 2HD ARG 109 -4.312 7.229 -11.514 806 HD3 ARG 109 1HD ARG 109 -4.190 8.547 -10.344 807 HE ARG 109 HE ARG 109 -4.034 9.778 -12.776 808 HH11 ARG 109 1HH1 ARG 109 -6.320 7.630 -11.252 809 HH12 ARG 109 2HH1 ARG 109 -7.687 8.279 -12.097 810 HH21 ARG 109 1HH2 ARG 109 -5.826 10.639 -13.886 811 HH22 ARG 109 2HH2 ARG 109 -7.405 9.990 -13.593 812 H PHE 110 H PHE 110 -3.520 5.742 -9.220 813 HA PHE 110 HA PHE 110 -5.778 7.143 -8.686 814 HB2 PHE 110 2HB PHE 110 -4.935 4.399 -7.783 815 HB3 PHE 110 1HB PHE 110 -6.509 5.053 -7.332 816 HD1 PHE 110 2HD PHE 110 -8.227 5.428 -9.002 817 HD2 PHE 110 1HD PHE 110 -4.451 3.777 -10.057 818 HE1 PHE 110 2HE PHE 110 -9.151 4.707 -11.166 819 HE2 PHE 110 1HE PHE 110 -5.365 3.055 -12.222 820 HZ PHE 110 HZ PHE 110 -7.719 3.519 -12.781 821 H ILE 111 H ILE 111 -3.446 5.965 -6.291 822 HA ILE 111 HA ILE 111 -4.781 6.939 -4.011 823 HB ILE 111 HB ILE 111 -1.825 6.499 -4.479 824 HG12 ILE 111 2HG1 ILE 111 -3.813 4.804 -2.964 825 HG13 ILE 111 1HG1 ILE 111 -3.379 4.526 -4.643 826 HG21 ILE 111 1HG2 ILE 111 -3.318 6.979 -1.905 827 HG22 ILE 111 2HG2 ILE 111 -2.152 8.070 -2.659 828 HG23 ILE 111 3HG2 ILE 111 -1.624 6.506 -2.032 829 HD11 ILE 111 3HD1 ILE 111 -2.164 3.050 -3.146 830 HD12 ILE 111 1HD1 ILE 111 -1.488 4.447 -2.310 831 HD13 ILE 111 2HD1 ILE 111 -1.070 4.141 -3.996 832 H GLU 112 H GLU 112 -2.049 8.311 -5.832 833 HA GLU 112 HA GLU 112 -1.853 10.743 -4.524 834 HB2 GLU 112 2HB GLU 112 -0.289 9.816 -6.278 835 HB3 GLU 112 1HB GLU 112 -1.455 10.336 -7.492 836 HG2 GLU 112 2HG GLU 112 0.225 11.996 -7.373 837 HG3 GLU 112 1HG GLU 112 -1.215 12.657 -6.598 838 H ILE 113 H ILE 113 -4.309 9.564 -6.547 839 HA ILE 113 HA ILE 113 -5.309 12.167 -7.325 840 HB ILE 113 HB ILE 113 -5.766 9.390 -8.135 841 HG12 ILE 113 2HG1 ILE 113 -6.064 10.437 -10.324 842 HG13 ILE 113 1HG1 ILE 113 -6.107 12.028 -9.571 843 HG21 ILE 113 1HG2 ILE 113 -8.029 9.829 -9.043 844 HG22 ILE 113 2HG2 ILE 113 -8.096 11.288 -8.052 845 HG23 ILE 113 3HG2 ILE 113 -7.966 9.704 -7.286 846 HD11 ILE 113 3HD1 ILE 113 -3.809 11.806 -8.884 847 HD12 ILE 113 1HD1 ILE 113 -3.945 11.507 -10.617 848 HD13 ILE 113 2HD1 ILE 113 -3.754 10.155 -9.502 849 H ASN 114 H ASN 114 -6.207 9.533 -5.117 850 HA ASN 114 HA ASN 114 -8.264 11.334 -4.010 851 HB2 ASN 114 2HB ASN 114 -8.376 8.328 -4.287 852 HB3 ASN 114 1HB ASN 114 -9.529 9.282 -3.354 853 HD21 ASN 114 1HD2 ASN 114 -9.842 7.593 -5.771 854 HD22 ASN 114 2HD2 ASN 114 -10.602 8.613 -6.940 855 H SER 115 H SER 115 -5.441 10.982 -3.187 856 HA SER 115 HA SER 115 -5.567 9.595 -0.661 857 HB2 SER 115 2HB SER 115 -3.256 10.399 -0.355 858 HB3 SER 115 1HB SER 115 -3.466 9.659 -1.944 859 HG SER 115 HG SER 115 -3.489 12.440 -1.367 860 H LEU 116 H LEU 116 -7.588 11.317 -0.593 861 HA LEU 116 HA LEU 116 -6.704 13.697 0.863 862 HB2 LEU 116 2HB LEU 116 -9.460 12.993 -0.130 863 HB3 LEU 116 1HB LEU 116 -8.950 14.534 0.537 864 HG LEU 116 HG LEU 116 -8.031 13.331 -2.072 865 HD11 LEU 116 1HD1 LEU 116 -9.770 15.723 -1.482 866 HD12 LEU 116 2HD1 LEU 116 -10.315 14.180 -2.138 867 HD13 LEU 116 3HD1 LEU 116 -9.232 15.203 -3.079 868 HD21 LEU 116 3HD2 LEU 116 -7.303 15.947 -0.759 869 HD22 LEU 116 1HD2 LEU 116 -6.896 15.493 -2.415 870 HD23 LEU 116 2HD2 LEU 116 -6.225 14.584 -1.060 Start of MODEL 44 1 H GLU 1 H GLU 1 3.106 16.713 -2.203 2 HA GLU 1 HA GLU 1 1.211 17.815 -4.000 3 HB2 GLU 1 2HB GLU 1 0.298 18.965 -2.039 4 HB3 GLU 1 1HB GLU 1 1.882 19.640 -1.682 5 HG2 GLU 1 2HG GLU 1 0.449 21.285 -2.738 6 HG3 GLU 1 1HG GLU 1 1.828 20.897 -3.767 7 H VAL 2 H VAL 2 2.479 18.122 -5.688 8 HA VAL 2 HA VAL 2 4.217 18.744 -7.009 9 HB VAL 2 HB VAL 2 4.915 20.626 -4.794 10 HG11 VAL 2 1HG1 VAL 2 5.666 20.645 -7.707 11 HG12 VAL 2 2HG1 VAL 2 6.748 20.349 -6.348 12 HG13 VAL 2 3HG1 VAL 2 6.014 21.938 -6.560 13 HG21 VAL 2 3HG2 VAL 2 3.163 21.055 -7.203 14 HG22 VAL 2 1HG2 VAL 2 3.633 22.296 -6.040 15 HG23 VAL 2 2HG2 VAL 2 2.618 20.946 -5.530 16 H GLU 3 H GLU 3 5.965 19.407 -4.022 17 HA GLU 3 HA GLU 3 7.870 18.542 -3.137 18 HB2 GLU 3 2HB GLU 3 6.317 16.569 -2.893 19 HB3 GLU 3 1HB GLU 3 7.004 15.930 -4.379 20 HG2 GLU 3 2HG GLU 3 8.046 14.881 -2.487 21 HG3 GLU 3 1HG GLU 3 9.220 15.901 -3.318 22 H LYS 4 H LYS 4 9.393 19.633 -4.331 23 HA LYS 4 HA LYS 4 10.251 18.520 -6.886 24 HB2 LYS 4 2HB LYS 4 10.939 21.062 -5.419 25 HB3 LYS 4 1HB LYS 4 11.782 20.555 -6.876 26 HG2 LYS 4 2HG LYS 4 8.814 21.028 -6.692 27 HG3 LYS 4 1HG LYS 4 9.988 22.199 -7.294 28 HD2 LYS 4 2HD LYS 4 10.636 20.642 -9.066 29 HD3 LYS 4 1HD LYS 4 9.473 19.462 -8.460 30 HE2 LYS 4 2HE LYS 4 7.653 21.049 -8.902 31 HE3 LYS 4 1HE LYS 4 8.824 22.207 -9.531 32 HZ1 LYS 4 3HZ LYS 4 8.277 19.516 -10.664 33 HZ2 LYS 4 1HZ LYS 4 9.397 20.632 -11.270 34 HZ3 LYS 4 2HZ LYS 4 7.743 20.985 -11.310 35 H SER 5 H SER 5 10.822 17.536 -3.956 36 HA SER 5 HA SER 5 13.644 17.654 -3.676 37 HB2 SER 5 2HB SER 5 11.623 15.736 -2.493 38 HB3 SER 5 1HB SER 5 13.318 15.820 -2.013 39 HG SER 5 HG SER 5 12.931 18.012 -1.410 40 H SER 6 H SER 6 15.205 16.465 -4.574 41 HA SER 6 HA SER 6 14.476 14.497 -6.571 42 HB2 SER 6 2HB SER 6 16.878 14.524 -7.145 43 HB3 SER 6 1HB SER 6 16.202 16.152 -7.106 44 HG SER 6 HG SER 6 18.275 15.251 -5.768 45 H ASP 7 H ASP 7 15.543 14.540 -3.314 46 HA ASP 7 HA ASP 7 15.976 11.628 -3.429 47 HB2 ASP 7 2HB ASP 7 17.426 13.586 -1.633 48 HB3 ASP 7 1HB ASP 7 17.642 11.838 -1.644 49 H GLY 8 H GLY 8 14.108 10.851 -2.624 50 HA2 GLY 8 2HA GLY 8 12.571 12.161 -0.627 51 HA3 GLY 8 1HA GLY 8 12.344 10.512 -1.186 52 HA PRO 9 HA PRO 9 14.492 11.016 3.178 53 HB2 PRO 9 2HB PRO 9 11.764 10.366 4.164 54 HB3 PRO 9 1HB PRO 9 12.969 11.474 4.831 55 HG2 PRO 9 2HG PRO 9 10.827 12.408 3.558 56 HG3 PRO 9 1HG PRO 9 12.412 13.177 3.358 57 HD2 PRO 9 2HD PRO 9 10.951 11.336 1.507 58 HD3 PRO 9 1HD PRO 9 11.929 12.769 1.132 59 H GLY 10 H GLY 10 11.886 8.880 2.046 60 HA2 GLY 10 2HA GLY 10 12.557 6.571 1.504 61 HA3 GLY 10 1HA GLY 10 13.503 6.590 2.984 62 H ALA 11 H ALA 11 12.053 4.516 2.994 63 HA ALA 11 HA ALA 11 10.138 4.891 5.063 64 HB1 ALA 11 1HB ALA 11 9.062 4.093 2.360 65 HB2 ALA 11 2HB ALA 11 8.720 5.596 3.217 66 HB3 ALA 11 3HB ALA 11 8.160 4.059 3.874 67 H ALA 12 H ALA 12 10.258 2.527 2.407 68 HA ALA 12 HA ALA 12 10.615 0.282 2.378 69 HB1 ALA 12 1HB ALA 12 12.879 1.097 3.004 70 HB2 ALA 12 2HB ALA 12 12.526 -0.542 3.554 71 HB3 ALA 12 3HB ALA 12 12.466 0.806 4.693 72 H GLN 13 H GLN 13 8.612 -0.473 2.954 73 HA GLN 13 HA GLN 13 8.419 -1.947 5.367 74 HB2 GLN 13 2HB GLN 13 6.314 -0.683 6.154 75 HB3 GLN 13 1HB GLN 13 7.887 0.009 6.531 76 HG2 GLN 13 2HG GLN 13 7.614 1.427 4.459 77 HG3 GLN 13 1HG GLN 13 5.941 0.872 4.418 78 HE21 GLN 13 1HE2 GLN 13 5.228 3.011 4.699 79 HE22 GLN 13 2HE2 GLN 13 5.294 3.790 6.239 80 H GLU 14 H GLU 14 6.356 -3.114 5.539 81 HA GLU 14 HA GLU 14 5.178 -3.507 2.874 82 HB2 GLU 14 2HB GLU 14 4.732 -5.777 3.502 83 HB3 GLU 14 1HB GLU 14 6.405 -5.426 3.912 84 HG2 GLU 14 2HG GLU 14 5.732 -5.069 6.250 85 HG3 GLU 14 1HG GLU 14 4.079 -5.499 5.813 86 HA PRO 15 HA PRO 15 1.179 -2.269 4.246 87 HB2 PRO 15 2HB PRO 15 -0.458 -4.047 2.981 88 HB3 PRO 15 1HB PRO 15 0.350 -2.705 2.164 89 HG2 PRO 15 2HG PRO 15 1.084 -5.593 2.259 90 HG3 PRO 15 1HG PRO 15 1.176 -4.449 0.908 91 HD2 PRO 15 2HD PRO 15 3.338 -5.196 2.384 92 HD3 PRO 15 1HD PRO 15 3.201 -3.617 1.586 93 H THR 16 H THR 16 -0.405 -2.658 5.748 94 HA THR 16 HA THR 16 0.116 -4.561 7.751 95 HB THR 16 HB THR 16 -2.500 -3.109 7.317 96 HG1 THR 16 1HG THR 16 0.012 -2.222 8.163 97 HG21 THR 16 3HG2 THR 16 -2.673 -3.264 9.762 98 HG22 THR 16 1HG2 THR 16 -1.160 -4.170 9.809 99 HG23 THR 16 2HG2 THR 16 -2.578 -4.860 9.018 100 H TRP 17 H TRP 17 -1.128 -6.343 8.462 101 HA TRP 17 HA TRP 17 -2.419 -7.793 6.270 102 HB2 TRP 17 2HB TRP 17 -1.216 -8.683 8.890 103 HB3 TRP 17 1HB TRP 17 -2.191 -9.756 7.890 104 HD1 TRP 17 HD TRP 17 1.199 -7.967 7.935 105 HE1 TRP 17 1HE TRP 17 2.723 -9.061 6.170 106 HE3 TRP 17 3HE TRP 17 -2.217 -11.056 5.713 107 HZ2 TRP 17 2HZ TRP 17 2.504 -10.980 4.110 108 HZ3 TRP 17 3HZ TRP 17 -1.479 -12.488 3.854 109 HH2 TRP 17 HH TRP 17 0.832 -12.449 3.069 110 H LEU 18 H LEU 18 -4.496 -7.089 6.218 111 HA LEU 18 HA LEU 18 -6.060 -7.032 8.694 112 HB2 LEU 18 2HB LEU 18 -6.908 -6.228 5.915 113 HB3 LEU 18 1HB LEU 18 -7.729 -5.860 7.420 114 HG LEU 18 HG LEU 18 -5.000 -4.822 6.665 115 HD11 LEU 18 1HD1 LEU 18 -6.638 -3.868 5.194 116 HD12 LEU 18 2HD1 LEU 18 -6.157 -2.660 6.384 117 HD13 LEU 18 3HD1 LEU 18 -7.699 -3.500 6.550 118 HD21 LEU 18 3HD2 LEU 18 -5.264 -4.975 9.052 119 HD22 LEU 18 1HD2 LEU 18 -6.840 -4.189 8.964 120 HD23 LEU 18 2HD2 LEU 18 -5.380 -3.284 8.562 121 H THR 19 H THR 19 -5.816 -9.432 8.742 122 HA THR 19 HA THR 19 -7.123 -11.052 6.802 123 HB THR 19 HB THR 19 -6.817 -12.887 8.371 124 HG1 THR 19 1HG THR 19 -6.582 -12.536 10.455 125 HG21 THR 19 3HG2 THR 19 -4.429 -11.039 8.358 126 HG22 THR 19 1HG2 THR 19 -4.883 -12.131 7.050 127 HG23 THR 19 2HG2 THR 19 -4.393 -12.782 8.614 128 H ASP 20 H ASP 20 -8.433 -8.954 9.010 129 HA ASP 20 HA ASP 20 -10.980 -10.395 8.920 130 HB2 ASP 20 2HB ASP 20 -9.748 -9.233 11.423 131 HB3 ASP 20 1HB ASP 20 -11.427 -9.751 11.299 132 H VAL 21 H VAL 21 -12.819 -9.119 8.948 133 HA VAL 21 HA VAL 21 -12.670 -6.646 7.687 134 HB VAL 21 HB VAL 21 -14.980 -7.596 9.381 135 HG11 VAL 21 1HG1 VAL 21 -16.322 -6.265 7.802 136 HG12 VAL 21 2HG1 VAL 21 -14.835 -5.715 7.029 137 HG13 VAL 21 3HG1 VAL 21 -15.172 -5.279 8.705 138 HG21 VAL 21 3HG2 VAL 21 -14.337 -9.355 7.841 139 HG22 VAL 21 1HG2 VAL 21 -14.333 -8.209 6.500 140 HG23 VAL 21 2HG2 VAL 21 -15.846 -8.610 7.313 141 HA PRO 22 HA PRO 22 -13.627 -4.625 12.063 142 HB2 PRO 22 2HB PRO 22 -12.384 -6.003 14.114 143 HB3 PRO 22 1HB PRO 22 -14.110 -6.085 13.745 144 HG2 PRO 22 2HG PRO 22 -11.914 -7.960 12.970 145 HG3 PRO 22 1HG PRO 22 -13.561 -8.328 13.520 146 HD2 PRO 22 2HD PRO 22 -12.911 -8.474 10.937 147 HD3 PRO 22 1HD PRO 22 -14.492 -7.845 11.445 148 H ALA 23 H ALA 23 -10.660 -6.584 11.803 149 HA ALA 23 HA ALA 23 -8.938 -4.618 12.861 150 HB1 ALA 23 1HB ALA 23 -8.258 -6.870 10.970 151 HB2 ALA 23 2HB ALA 23 -8.335 -6.999 12.728 152 HB3 ALA 23 3HB ALA 23 -7.122 -5.966 11.973 153 H ALA 24 H ALA 24 -10.091 -5.337 9.660 154 HA ALA 24 HA ALA 24 -8.345 -3.668 8.199 155 HB1 ALA 24 1HB ALA 24 -10.051 -3.796 6.416 156 HB2 ALA 24 2HB ALA 24 -11.165 -4.551 7.558 157 HB3 ALA 24 3HB ALA 24 -9.676 -5.380 7.101 158 H MET 25 H MET 25 -11.721 -3.141 9.195 159 HA MET 25 HA MET 25 -11.868 -0.442 8.468 160 HB2 MET 25 2HB MET 25 -13.442 -1.840 10.634 161 HB3 MET 25 1HB MET 25 -13.898 -0.364 9.795 162 HG2 MET 25 2HG MET 25 -13.976 -1.665 7.679 163 HG3 MET 25 1HG MET 25 -13.685 -3.125 8.621 164 HE1 MET 25 3HE MET 25 -15.842 0.024 9.580 165 HE2 MET 25 1HE MET 25 -17.446 -0.483 9.048 166 HE3 MET 25 2HE MET 25 -16.175 -0.188 7.861 167 H GLU 26 H GLU 26 -10.551 -1.996 11.296 168 HA GLU 26 HA GLU 26 -10.600 0.311 12.972 169 HB2 GLU 26 2HB GLU 26 -9.248 -2.351 13.086 170 HB3 GLU 26 1HB GLU 26 -8.673 -1.063 14.138 171 HG2 GLU 26 2HG GLU 26 -11.126 -0.806 14.831 172 HG3 GLU 26 1HG GLU 26 -11.350 -2.391 14.087 173 H PHE 27 H PHE 27 -8.032 -1.247 11.057 174 HA PHE 27 HA PHE 27 -6.059 0.664 11.598 175 HB2 PHE 27 2HB PHE 27 -6.448 -1.445 9.548 176 HB3 PHE 27 1HB PHE 27 -5.300 -0.167 9.153 177 HD1 PHE 27 1HD PHE 27 -3.295 0.160 10.509 178 HD2 PHE 27 2HD PHE 27 -5.979 -3.055 11.253 179 HE1 PHE 27 1HE PHE 27 -1.578 -0.951 11.876 180 HE2 PHE 27 2HE PHE 27 -4.269 -4.172 12.622 181 HZ PHE 27 HZ PHE 27 -2.064 -3.121 12.934 182 H ILE 28 H ILE 28 -8.673 0.563 9.286 183 HA ILE 28 HA ILE 28 -7.839 2.843 7.778 184 HB ILE 28 HB ILE 28 -10.472 1.397 8.035 185 HG12 ILE 28 2HG1 ILE 28 -8.723 1.791 5.606 186 HG13 ILE 28 1HG1 ILE 28 -8.508 0.444 6.723 187 HG21 ILE 28 1HG2 ILE 28 -11.323 2.822 6.212 188 HG22 ILE 28 2HG2 ILE 28 -9.890 3.835 6.364 189 HG23 ILE 28 3HG2 ILE 28 -11.033 3.720 7.699 190 HD11 ILE 28 3HD1 ILE 28 -10.620 -0.460 6.182 191 HD12 ILE 28 1HD1 ILE 28 -9.855 -0.027 4.654 192 HD13 ILE 28 2HD1 ILE 28 -11.109 1.009 5.333 193 H ALA 29 H ALA 29 -9.972 2.298 10.528 194 HA ALA 29 HA ALA 29 -10.939 4.971 10.697 195 HB1 ALA 29 1HB ALA 29 -11.762 4.273 12.928 196 HB2 ALA 29 2HB ALA 29 -10.912 2.738 12.730 197 HB3 ALA 29 3HB ALA 29 -12.230 3.168 11.636 198 H ALA 30 H ALA 30 -8.037 3.425 11.647 199 HA ALA 30 HA ALA 30 -7.385 5.488 13.618 200 HB1 ALA 30 1HB ALA 30 -5.861 3.024 12.781 201 HB2 ALA 30 2HB ALA 30 -6.875 3.187 14.215 202 HB3 ALA 30 3HB ALA 30 -5.391 4.130 14.071 203 H THR 31 H THR 31 -7.644 6.098 10.765 204 HA THR 31 HA THR 31 -5.304 7.689 10.458 205 HB THR 31 HB THR 31 -4.325 5.571 9.733 206 HG1 THR 31 1HG THR 31 -4.164 7.775 8.489 207 HG21 THR 31 3HG2 THR 31 -6.170 5.484 7.387 208 HG22 THR 31 1HG2 THR 31 -6.674 4.768 8.917 209 HG23 THR 31 2HG2 THR 31 -5.215 4.193 8.119 210 H GLU 32 H GLU 32 -5.445 9.146 8.697 211 HA GLU 32 HA GLU 32 -8.120 9.848 7.972 212 HB2 GLU 32 2HB GLU 32 -6.101 11.389 8.380 213 HB3 GLU 32 1HB GLU 32 -5.616 10.983 6.739 214 HG2 GLU 32 2HG GLU 32 -7.640 11.912 5.855 215 HG3 GLU 32 1HG GLU 32 -8.272 12.178 7.479 216 H VAL 33 H VAL 33 -5.318 8.613 6.158 217 HA VAL 33 HA VAL 33 -7.174 7.810 4.011 218 HB VAL 33 HB VAL 33 -4.271 8.535 3.603 219 HG11 VAL 33 1HG1 VAL 33 -6.534 8.024 1.672 220 HG12 VAL 33 2HG1 VAL 33 -5.105 7.014 1.928 221 HG13 VAL 33 3HG1 VAL 33 -4.934 8.621 1.218 222 HG21 VAL 33 3HG2 VAL 33 -5.157 10.601 2.540 223 HG22 VAL 33 1HG2 VAL 33 -5.420 10.527 4.283 224 HG23 VAL 33 2HG2 VAL 33 -6.751 10.189 3.177 225 H ALA 34 H ALA 34 -7.105 5.705 3.398 226 HA ALA 34 HA ALA 34 -4.865 4.053 4.307 227 HB1 ALA 34 1HB ALA 34 -6.440 2.323 5.118 228 HB2 ALA 34 2HB ALA 34 -7.762 3.465 4.876 229 HB3 ALA 34 3HB ALA 34 -6.496 3.819 6.054 230 H VAL 35 H VAL 35 -4.150 2.768 2.773 231 HA VAL 35 HA VAL 35 -5.973 2.058 0.574 232 HB VAL 35 HB VAL 35 -2.996 2.532 0.541 233 HG11 VAL 35 1HG1 VAL 35 -3.404 0.528 -0.762 234 HG12 VAL 35 2HG1 VAL 35 -3.084 1.880 -1.848 235 HG13 VAL 35 3HG1 VAL 35 -4.737 1.315 -1.608 236 HG21 VAL 35 3HG2 VAL 35 -4.343 4.509 0.356 237 HG22 VAL 35 1HG2 VAL 35 -5.353 3.751 -0.876 238 HG23 VAL 35 2HG2 VAL 35 -3.667 4.139 -1.233 239 H ILE 36 H ILE 36 -6.384 -0.009 0.259 240 HA ILE 36 HA ILE 36 -4.639 -1.992 1.543 241 HB ILE 36 HB ILE 36 -7.645 -1.900 1.725 242 HG12 ILE 36 2HG1 ILE 36 -5.765 -1.940 4.048 243 HG13 ILE 36 1HG1 ILE 36 -6.024 -0.429 3.190 244 HG21 ILE 36 1HG2 ILE 36 -5.661 -3.991 2.605 245 HG22 ILE 36 2HG2 ILE 36 -7.046 -4.187 1.529 246 HG23 ILE 36 3HG2 ILE 36 -7.301 -3.882 3.248 247 HD11 ILE 36 3HD1 ILE 36 -8.046 -2.098 4.638 248 HD12 ILE 36 1HD1 ILE 36 -8.467 -0.742 3.589 249 HD13 ILE 36 2HD1 ILE 36 -7.489 -0.469 5.031 250 H GLY 37 H GLY 37 -4.269 -3.816 0.455 251 HA2 GLY 37 2HA GLY 37 -5.468 -4.044 -2.206 252 HA3 GLY 37 1HA GLY 37 -3.965 -4.787 -1.697 253 H PHE 38 H PHE 38 -7.389 -5.105 -1.898 254 HA PHE 38 HA PHE 38 -7.529 -7.522 -0.308 255 HB2 PHE 38 2HB PHE 38 -9.618 -6.342 -2.150 256 HB3 PHE 38 1HB PHE 38 -9.876 -7.535 -0.885 257 HD1 PHE 38 2HD PHE 38 -8.651 -4.060 -1.379 258 HD2 PHE 38 1HD PHE 38 -10.557 -6.844 1.211 259 HE1 PHE 38 2HE PHE 38 -9.098 -2.257 0.225 260 HE2 PHE 38 1HE PHE 38 -11.010 -5.038 2.818 261 HZ PHE 38 HZ PHE 38 -10.279 -2.742 2.328 262 H PHE 39 H PHE 39 -6.148 -8.965 -1.317 263 HA PHE 39 HA PHE 39 -6.825 -9.703 -4.085 264 HB2 PHE 39 2HB PHE 39 -4.263 -10.341 -2.631 265 HB3 PHE 39 1HB PHE 39 -4.581 -10.463 -4.360 266 HD1 PHE 39 2HD PHE 39 -5.798 -7.940 -5.038 267 HD2 PHE 39 1HD PHE 39 -2.624 -8.759 -2.325 268 HE1 PHE 39 2HE PHE 39 -4.941 -5.660 -5.359 269 HE2 PHE 39 1HE PHE 39 -1.762 -6.477 -2.640 270 HZ PHE 39 HZ PHE 39 -2.920 -4.924 -4.161 271 H GLN 40 H GLN 40 -7.337 -11.755 -4.613 272 HA GLN 40 HA GLN 40 -7.889 -13.609 -2.452 273 HB2 GLN 40 2HB GLN 40 -8.313 -13.894 -5.439 274 HB3 GLN 40 1HB GLN 40 -8.908 -15.004 -4.211 275 HG2 GLN 40 2HG GLN 40 -10.271 -13.174 -3.271 276 HG3 GLN 40 1HG GLN 40 -9.728 -12.133 -4.587 277 HE21 GLN 40 1HE2 GLN 40 -12.420 -13.033 -3.877 278 HE22 GLN 40 2HE2 GLN 40 -13.041 -13.828 -5.280 279 H ASP 41 H ASP 41 -5.339 -12.793 -4.355 280 HA ASP 41 HA ASP 41 -3.864 -15.203 -3.691 281 HB2 ASP 41 2HB ASP 41 -4.855 -15.590 -5.976 282 HB3 ASP 41 1HB ASP 41 -3.955 -14.183 -6.546 283 H LEU 42 H LEU 42 -1.910 -14.584 -2.934 284 HA LEU 42 HA LEU 42 -1.084 -11.829 -3.419 285 HB2 LEU 42 2HB LEU 42 -0.042 -13.875 -1.463 286 HB3 LEU 42 1HB LEU 42 0.548 -12.227 -1.599 287 HG LEU 42 HG LEU 42 -2.251 -13.030 -0.812 288 HD11 LEU 42 1HD1 LEU 42 -0.627 -13.524 0.926 289 HD12 LEU 42 2HD1 LEU 42 -1.631 -12.149 1.385 290 HD13 LEU 42 3HD1 LEU 42 0.015 -11.885 0.811 291 HD21 LEU 42 3HD2 LEU 42 -2.342 -10.945 -1.985 292 HD22 LEU 42 1HD2 LEU 42 -0.943 -10.330 -1.101 293 HD23 LEU 42 2HD2 LEU 42 -2.467 -10.605 -0.258 294 H GLU 43 H GLU 43 -0.813 -13.291 -5.655 295 HA GLU 43 HA GLU 43 2.098 -13.361 -5.976 296 HB2 GLU 43 2HB GLU 43 0.204 -15.475 -7.022 297 HB3 GLU 43 1HB GLU 43 1.906 -15.353 -7.438 298 HG2 GLU 43 2HG GLU 43 2.535 -15.775 -5.156 299 HG3 GLU 43 1HG GLU 43 0.842 -15.792 -4.663 300 H ILE 44 H ILE 44 -0.526 -11.812 -6.699 301 HA ILE 44 HA ILE 44 -0.244 -11.661 -9.600 302 HB ILE 44 HB ILE 44 -2.101 -9.880 -9.259 303 HG12 ILE 44 2HG1 ILE 44 -2.764 -11.410 -6.804 304 HG13 ILE 44 1HG1 ILE 44 -1.572 -10.127 -6.673 305 HG21 ILE 44 1HG2 ILE 44 -2.808 -12.732 -8.600 306 HG22 ILE 44 2HG2 ILE 44 -2.311 -12.206 -10.212 307 HG23 ILE 44 3HG2 ILE 44 -3.773 -11.545 -9.481 308 HD11 ILE 44 3HD1 ILE 44 -3.267 -8.616 -7.740 309 HD12 ILE 44 1HD1 ILE 44 -3.648 -9.188 -6.117 310 HD13 ILE 44 2HD1 ILE 44 -4.434 -9.918 -7.516 311 HA PRO 45 HA PRO 45 2.291 -8.067 -9.939 312 HB2 PRO 45 2HB PRO 45 0.007 -6.824 -11.413 313 HB3 PRO 45 1HB PRO 45 1.708 -6.929 -11.870 314 HG2 PRO 45 2HG PRO 45 -0.060 -8.537 -13.003 315 HG3 PRO 45 1HG PRO 45 1.526 -9.164 -12.517 316 HD2 PRO 45 2HD PRO 45 -1.135 -9.516 -11.203 317 HD3 PRO 45 1HD PRO 45 0.207 -10.666 -11.357 318 H ALA 46 H ALA 46 -1.028 -7.655 -8.903 319 HA ALA 46 HA ALA 46 -0.874 -4.972 -8.074 320 HB1 ALA 46 1HB ALA 46 -2.650 -7.100 -6.912 321 HB2 ALA 46 2HB ALA 46 -2.960 -6.282 -8.443 322 HB3 ALA 46 3HB ALA 46 -2.934 -5.358 -6.939 323 H VAL 47 H VAL 47 -0.137 -7.986 -6.365 324 HA VAL 47 HA VAL 47 0.024 -6.889 -3.793 325 HB VAL 47 HB VAL 47 1.785 -9.171 -4.642 326 HG11 VAL 47 1HG1 VAL 47 0.312 -8.517 -2.090 327 HG12 VAL 47 2HG1 VAL 47 2.048 -8.378 -2.366 328 HG13 VAL 47 3HG1 VAL 47 1.280 -9.965 -2.368 329 HG21 VAL 47 3HG2 VAL 47 -0.010 -10.698 -4.507 330 HG22 VAL 47 1HG2 VAL 47 -0.568 -9.400 -5.560 331 HG23 VAL 47 2HG2 VAL 47 -1.108 -9.468 -3.883 332 HA PRO 48 HA PRO 48 4.837 -6.354 -4.517 333 HB2 PRO 48 2HB PRO 48 4.889 -6.061 -7.468 334 HB3 PRO 48 1HB PRO 48 6.035 -6.883 -6.398 335 HG2 PRO 48 2HG PRO 48 4.369 -8.269 -7.952 336 HG3 PRO 48 1HG PRO 48 4.764 -8.818 -6.312 337 HD2 PRO 48 2HD PRO 48 2.304 -7.446 -7.311 338 HD3 PRO 48 1HD PRO 48 2.459 -8.763 -6.138 339 H ILE 49 H ILE 49 2.672 -4.985 -6.950 340 HA ILE 49 HA ILE 49 3.795 -2.429 -7.085 341 HB ILE 49 HB ILE 49 1.152 -3.597 -7.793 342 HG12 ILE 49 2HG1 ILE 49 2.905 -1.937 -9.550 343 HG13 ILE 49 1HG1 ILE 49 3.405 -3.570 -9.132 344 HG21 ILE 49 1HG2 ILE 49 0.261 -1.596 -7.091 345 HG22 ILE 49 2HG2 ILE 49 0.639 -1.256 -8.779 346 HG23 ILE 49 3HG2 ILE 49 1.712 -0.686 -7.503 347 HD11 ILE 49 3HD1 ILE 49 0.715 -2.978 -10.307 348 HD12 ILE 49 1HD1 ILE 49 1.557 -4.523 -10.206 349 HD13 ILE 49 2HD1 ILE 49 2.142 -3.267 -11.299 350 H LEU 50 H LEU 50 1.406 -3.803 -4.890 351 HA LEU 50 HA LEU 50 0.752 -1.299 -3.669 352 HB2 LEU 50 2HB LEU 50 -0.855 -3.084 -3.570 353 HB3 LEU 50 1HB LEU 50 0.300 -4.146 -2.798 354 HG LEU 50 HG LEU 50 0.301 -2.565 -0.835 355 HD11 LEU 50 1HD1 LEU 50 -1.561 -1.025 -0.610 356 HD12 LEU 50 2HD1 LEU 50 -2.119 -1.437 -2.233 357 HD13 LEU 50 3HD1 LEU 50 -0.578 -0.608 -2.014 358 HD21 LEU 50 3HD2 LEU 50 -1.577 -3.556 0.156 359 HD22 LEU 50 1HD2 LEU 50 -1.045 -4.722 -1.057 360 HD23 LEU 50 2HD2 LEU 50 -2.438 -3.682 -1.382 361 H HIS 51 H HIS 51 2.711 -4.101 -2.644 362 HA HIS 51 HA HIS 51 3.688 -3.048 -0.267 363 HB2 HIS 51 2HB HIS 51 4.978 -4.935 -2.247 364 HB3 HIS 51 1HB HIS 51 5.708 -4.530 -0.696 365 HD1 HIS 51 1HD HIS 51 5.430 -6.541 0.711 366 HD2 HIS 51 2HD HIS 51 1.967 -5.647 -1.404 367 HE1 HIS 51 1HE HIS 51 3.714 -8.201 1.500 368 HE2 HIS 51 2HE HIS 51 1.607 -7.596 0.258 369 H SER 52 H SER 52 4.413 -2.254 -3.537 370 HA SER 52 HA SER 52 6.884 -0.877 -2.938 371 HB2 SER 52 2HB SER 52 5.196 -0.995 -5.450 372 HB3 SER 52 1HB SER 52 6.743 -0.156 -5.332 373 HG SER 52 HG SER 52 6.658 -2.815 -4.507 374 H MET 53 H MET 53 3.553 0.029 -3.818 375 HA MET 53 HA MET 53 3.933 2.803 -3.798 376 HB2 MET 53 2HB MET 53 1.628 3.009 -3.917 377 HB3 MET 53 1HB MET 53 1.879 1.394 -4.554 378 HG2 MET 53 2HG MET 53 0.083 1.129 -3.134 379 HG3 MET 53 1HG MET 53 1.446 0.603 -2.154 380 HE1 MET 53 3HE MET 53 0.256 0.853 0.161 381 HE2 MET 53 1HE MET 53 -1.226 1.192 -0.733 382 HE3 MET 53 2HE MET 53 -0.741 2.241 0.598 383 H VAL 54 H VAL 54 3.626 0.487 -1.265 384 HA VAL 54 HA VAL 54 2.807 1.990 0.897 385 HB VAL 54 HB VAL 54 4.822 -0.240 0.766 386 HG11 VAL 54 1HG1 VAL 54 4.543 -0.484 3.181 387 HG12 VAL 54 2HG1 VAL 54 3.553 0.976 3.210 388 HG13 VAL 54 3HG1 VAL 54 5.256 1.075 2.764 389 HG21 VAL 54 3HG2 VAL 54 2.744 -1.100 0.169 390 HG22 VAL 54 1HG2 VAL 54 1.886 -0.079 1.322 391 HG23 VAL 54 2HG2 VAL 54 2.856 -1.434 1.896 392 H GLN 55 H GLN 55 6.133 1.551 -0.293 393 HA GLN 55 HA GLN 55 7.223 3.386 1.610 394 HB2 GLN 55 2HB GLN 55 8.582 2.518 -0.916 395 HB3 GLN 55 1HB GLN 55 9.296 2.926 0.640 396 HG2 GLN 55 2HG GLN 55 8.392 0.888 1.606 397 HG3 GLN 55 1HG GLN 55 7.635 0.485 0.065 398 HE21 GLN 55 1HE2 GLN 55 10.802 1.934 0.342 399 HE22 GLN 55 2HE2 GLN 55 11.692 0.559 -0.204 400 H LYS 56 H LYS 56 5.462 3.767 -1.184 401 HA LYS 56 HA LYS 56 6.736 6.281 -1.969 402 HB2 LYS 56 2HB LYS 56 4.404 4.805 -3.208 403 HB3 LYS 56 1HB LYS 56 5.185 6.234 -3.870 404 HG2 LYS 56 2HG LYS 56 7.249 4.995 -4.173 405 HG3 LYS 56 1HG LYS 56 6.508 3.559 -3.461 406 HD2 LYS 56 2HD LYS 56 6.384 3.243 -5.794 407 HD3 LYS 56 1HD LYS 56 4.764 3.743 -5.304 408 HE2 LYS 56 2HE LYS 56 5.288 4.968 -7.265 409 HE3 LYS 56 1HE LYS 56 5.423 6.091 -5.910 410 HZ1 LYS 56 3HZ LYS 56 7.703 4.699 -7.209 411 HZ2 LYS 56 1HZ LYS 56 7.810 5.819 -5.945 412 HZ3 LYS 56 2HZ LYS 56 7.268 6.313 -7.470 413 H PHE 57 H PHE 57 4.149 5.052 -0.125 414 HA PHE 57 HA PHE 57 3.139 7.773 0.301 415 HB2 PHE 57 2HB PHE 57 1.527 5.328 -0.377 416 HB3 PHE 57 1HB PHE 57 0.814 6.711 0.453 417 HD1 PHE 57 1HD PHE 57 2.212 5.477 -2.685 418 HD2 PHE 57 2HD PHE 57 0.504 8.822 -0.686 419 HE1 PHE 57 1HE PHE 57 1.874 6.594 -4.850 420 HE2 PHE 57 2HE PHE 57 0.158 9.943 -2.849 421 HZ PHE 57 HZ PHE 57 0.846 8.828 -4.934 422 HA PRO 58 HA PRO 58 4.239 5.355 4.246 423 HB2 PRO 58 2HB PRO 58 5.304 7.686 5.356 424 HB3 PRO 58 1HB PRO 58 6.238 6.379 4.624 425 HG2 PRO 58 2HG PRO 58 5.338 8.969 3.430 426 HG3 PRO 58 1HG PRO 58 6.883 8.115 3.231 427 HD2 PRO 58 2HD PRO 58 5.043 8.030 1.313 428 HD3 PRO 58 1HD PRO 58 5.971 6.574 1.729 429 H GLY 59 H GLY 59 3.044 8.659 3.700 430 HA2 GLY 59 2HA GLY 59 1.685 9.001 6.122 431 HA3 GLY 59 1HA GLY 59 1.272 9.804 4.611 432 H VAL 60 H VAL 60 0.633 7.589 3.067 433 HA VAL 60 HA VAL 60 -2.052 7.109 3.816 434 HB VAL 60 HB VAL 60 -0.242 6.003 1.682 435 HG11 VAL 60 1HG1 VAL 60 -3.088 5.121 2.194 436 HG12 VAL 60 2HG1 VAL 60 -1.644 4.119 2.352 437 HG13 VAL 60 3HG1 VAL 60 -2.128 4.724 0.767 438 HG21 VAL 60 3HG2 VAL 60 -2.735 7.698 1.693 439 HG22 VAL 60 1HG2 VAL 60 -1.977 7.068 0.228 440 HG23 VAL 60 2HG2 VAL 60 -1.094 8.188 1.266 441 H SER 61 H SER 61 -3.042 5.217 4.599 442 HA SER 61 HA SER 61 -1.311 3.617 6.277 443 HB2 SER 61 2HB SER 61 -3.410 4.368 7.222 444 HB3 SER 61 1HB SER 61 -4.310 3.595 5.920 445 HG SER 61 HG SER 61 -3.170 2.498 8.178 446 H PHE 62 H PHE 62 -0.142 2.238 5.067 447 HA PHE 62 HA PHE 62 -1.073 0.790 2.845 448 HB2 PHE 62 2HB PHE 62 0.933 -0.739 3.441 449 HB3 PHE 62 1HB PHE 62 1.252 0.935 2.992 450 HD1 PHE 62 2HD PHE 62 1.096 -1.429 5.812 451 HD2 PHE 62 1HD PHE 62 2.160 2.493 4.549 452 HE1 PHE 62 2HE PHE 62 2.298 -1.078 7.928 453 HE2 PHE 62 1HE PHE 62 3.362 2.852 6.664 454 HZ PHE 62 HZ PHE 62 3.432 1.065 8.358 455 H GLY 63 H GLY 63 -2.238 -0.998 2.664 456 HA2 GLY 63 2HA GLY 63 -2.405 -2.864 4.902 457 HA3 GLY 63 1HA GLY 63 -3.903 -2.111 4.371 458 H ILE 64 H ILE 64 -3.442 -4.879 4.338 459 HA ILE 64 HA ILE 64 -4.101 -5.431 1.611 460 HB ILE 64 HB ILE 64 -1.501 -5.398 1.825 461 HG12 ILE 64 2HG1 ILE 64 -2.961 -7.693 0.514 462 HG13 ILE 64 1HG1 ILE 64 -2.733 -6.090 -0.171 463 HG21 ILE 64 1HG2 ILE 64 -0.523 -7.570 2.390 464 HG22 ILE 64 2HG2 ILE 64 -2.107 -8.142 2.908 465 HG23 ILE 64 3HG2 ILE 64 -1.319 -6.828 3.777 466 HD11 ILE 64 3HD1 ILE 64 -0.281 -6.485 -0.101 467 HD12 ILE 64 1HD1 ILE 64 -1.161 -7.571 -1.177 468 HD13 ILE 64 2HD1 ILE 64 -0.613 -8.145 0.397 469 H SER 65 H SER 65 -5.272 -7.299 1.422 470 HA SER 65 HA SER 65 -5.357 -9.132 3.690 471 HB2 SER 65 2HB SER 65 -7.047 -7.508 4.295 472 HB3 SER 65 1HB SER 65 -7.773 -7.612 2.689 473 HG SER 65 HG SER 65 -8.472 -9.657 3.138 474 H THR 66 H THR 66 -6.542 -11.090 3.266 475 HA THR 66 HA THR 66 -7.102 -11.663 0.451 476 HB THR 66 HB THR 66 -5.880 -13.792 0.561 477 HG1 THR 66 1HG THR 66 -5.691 -14.318 2.666 478 HG21 THR 66 3HG2 THR 66 -4.062 -11.502 1.285 479 HG22 THR 66 1HG2 THR 66 -4.804 -11.710 -0.301 480 HG23 THR 66 2HG2 THR 66 -3.671 -12.917 0.309 481 H ASP 67 H ASP 67 -8.094 -11.668 3.551 482 HA ASP 67 HA ASP 67 -9.337 -14.208 3.821 483 HB2 ASP 67 2HB ASP 67 -8.795 -12.637 5.711 484 HB3 ASP 67 1HB ASP 67 -10.132 -11.624 5.175 485 H SER 68 H SER 68 -11.402 -14.861 3.383 486 HA SER 68 HA SER 68 -12.724 -13.669 1.199 487 HB2 SER 68 2HB SER 68 -12.875 -16.072 1.699 488 HB3 SER 68 1HB SER 68 -13.778 -15.712 3.170 489 HG SER 68 HG SER 68 -14.573 -15.196 0.496 490 H GLU 69 H GLU 69 -13.553 -13.772 4.662 491 HA GLU 69 HA GLU 69 -15.976 -12.472 4.616 492 HB2 GLU 69 2HB GLU 69 -13.828 -12.063 6.695 493 HB3 GLU 69 1HB GLU 69 -15.555 -11.810 6.904 494 HG2 GLU 69 2HG GLU 69 -15.946 -14.199 6.561 495 HG3 GLU 69 1HG GLU 69 -14.211 -14.449 6.368 496 H VAL 70 H VAL 70 -12.754 -10.981 4.731 497 HA VAL 70 HA VAL 70 -13.746 -8.324 4.778 498 HB VAL 70 HB VAL 70 -11.030 -9.395 4.008 499 HG11 VAL 70 1HG1 VAL 70 -11.943 -6.549 4.387 500 HG12 VAL 70 2HG1 VAL 70 -11.288 -7.277 2.919 501 HG13 VAL 70 3HG1 VAL 70 -10.253 -7.051 4.328 502 HG21 VAL 70 3HG2 VAL 70 -11.722 -9.731 6.361 503 HG22 VAL 70 1HG2 VAL 70 -11.927 -7.986 6.514 504 HG23 VAL 70 2HG2 VAL 70 -10.330 -8.659 6.194 505 H LEU 71 H LEU 71 -12.279 -10.267 2.177 506 HA LEU 71 HA LEU 71 -12.625 -8.411 0.120 507 HB2 LEU 71 2HB LEU 71 -12.265 -11.371 0.237 508 HB3 LEU 71 1HB LEU 71 -12.749 -10.650 -1.289 509 HG LEU 71 HG LEU 71 -10.754 -9.354 -1.420 510 HD11 LEU 71 1HD1 LEU 71 -9.046 -9.383 0.350 511 HD12 LEU 71 2HD1 LEU 71 -10.148 -10.298 1.376 512 HD13 LEU 71 3HD1 LEU 71 -10.561 -8.656 0.883 513 HD21 LEU 71 3HD2 LEU 71 -10.071 -12.127 -0.451 514 HD22 LEU 71 1HD2 LEU 71 -9.014 -11.072 -1.391 515 HD23 LEU 71 2HD2 LEU 71 -10.513 -11.677 -2.100 516 H THR 72 H THR 72 -14.911 -10.201 1.853 517 HA THR 72 HA THR 72 -16.948 -10.108 -0.225 518 HB THR 72 HB THR 72 -17.074 -11.066 2.645 519 HG1 THR 72 1HG THR 72 -16.192 -12.214 0.398 520 HG21 THR 72 3HG2 THR 72 -19.265 -10.344 2.084 521 HG22 THR 72 1HG2 THR 72 -19.258 -12.093 1.853 522 HG23 THR 72 2HG2 THR 72 -19.152 -11.017 0.459 523 H HIS 73 H HIS 73 -16.215 -8.662 2.912 524 HA HIS 73 HA HIS 73 -18.526 -7.120 3.215 525 HB2 HIS 73 2HB HIS 73 -16.869 -7.520 5.010 526 HB3 HIS 73 1HB HIS 73 -15.727 -6.478 4.169 527 HD1 HIS 73 1HD HIS 73 -18.805 -6.393 6.274 528 HD2 HIS 73 2HD HIS 73 -16.253 -3.724 4.370 529 HE1 HIS 73 1HE HIS 73 -19.392 -4.129 7.196 530 HE2 HIS 73 2HE HIS 73 -17.817 -2.530 6.049 531 H TYR 74 H TYR 74 -15.468 -6.427 1.576 532 HA TYR 74 HA TYR 74 -16.440 -3.804 0.762 533 HB2 TYR 74 2HB TYR 74 -13.804 -5.216 0.345 534 HB3 TYR 74 1HB TYR 74 -14.176 -3.637 -0.340 535 HD1 TYR 74 1HD TYR 74 -13.926 -5.460 2.894 536 HD2 TYR 74 2HD TYR 74 -13.830 -1.695 0.917 537 HE1 TYR 74 1HE TYR 74 -13.189 -4.389 4.982 538 HE2 TYR 74 2HE TYR 74 -13.092 -0.614 2.997 539 HH TYR 74 HH TYR 74 -11.995 -2.367 5.692 540 H ASN 75 H ASN 75 -17.268 -6.663 -0.208 541 HA ASN 75 HA ASN 75 -18.066 -7.603 -2.115 542 HB2 ASN 75 2HB ASN 75 -18.097 -4.703 -2.952 543 HB3 ASN 75 1HB ASN 75 -18.840 -6.003 -3.883 544 HD21 ASN 75 1HD2 ASN 75 -20.054 -3.670 -2.634 545 HD22 ASN 75 2HD2 ASN 75 -21.253 -4.275 -1.549 546 H ILE 76 H ILE 76 -15.137 -7.206 -1.797 547 HA ILE 76 HA ILE 76 -13.906 -6.596 -4.247 548 HB ILE 76 HB ILE 76 -12.924 -8.584 -2.198 549 HG12 ILE 76 2HG1 ILE 76 -13.512 -6.467 -1.119 550 HG13 ILE 76 1HG1 ILE 76 -11.771 -6.699 -1.139 551 HG21 ILE 76 1HG2 ILE 76 -10.686 -7.794 -3.018 552 HG22 ILE 76 2HG2 ILE 76 -11.539 -6.986 -4.332 553 HG23 ILE 76 3HG2 ILE 76 -11.627 -8.738 -4.173 554 HD11 ILE 76 3HD1 ILE 76 -13.306 -4.953 -3.049 555 HD12 ILE 76 1HD1 ILE 76 -11.554 -5.140 -2.975 556 HD13 ILE 76 2HD1 ILE 76 -12.419 -4.391 -1.632 557 H THR 77 H THR 77 -13.951 -7.638 -6.140 558 HA THR 77 HA THR 77 -14.218 -10.556 -6.169 559 HB THR 77 HB THR 77 -15.865 -10.441 -8.018 560 HG1 THR 77 1HG THR 77 -15.312 -8.161 -8.509 561 HG21 THR 77 3HG2 THR 77 -16.729 -9.112 -5.451 562 HG22 THR 77 1HG2 THR 77 -16.654 -10.846 -5.758 563 HG23 THR 77 2HG2 THR 77 -17.812 -9.845 -6.635 564 H GLY 78 H GLY 78 -11.847 -9.286 -6.588 565 HA2 GLY 78 2HA GLY 78 -10.857 -10.328 -8.908 566 HA3 GLY 78 1HA GLY 78 -11.416 -8.730 -9.378 567 H ASN 79 H ASN 79 -9.800 -9.902 -6.425 568 HA ASN 79 HA ASN 79 -8.006 -9.072 -5.284 569 HB2 ASN 79 2HB ASN 79 -6.921 -8.762 -8.091 570 HB3 ASN 79 1HB ASN 79 -5.965 -8.836 -6.616 571 HD21 ASN 79 1HD2 ASN 79 -5.683 -10.792 -5.578 572 HD22 ASN 79 2HD2 ASN 79 -6.067 -12.302 -6.324 573 H THR 80 H THR 80 -9.994 -7.224 -5.660 574 HA THR 80 HA THR 80 -9.161 -4.763 -6.773 575 HB THR 80 HB THR 80 -11.274 -5.357 -4.689 576 HG1 THR 80 1HG THR 80 -11.141 -5.813 -7.335 577 HG21 THR 80 3HG2 THR 80 -12.268 -3.213 -5.306 578 HG22 THR 80 1HG2 THR 80 -10.917 -2.891 -6.393 579 HG23 THR 80 2HG2 THR 80 -10.646 -2.989 -4.656 580 H ILE 81 H ILE 81 -8.578 -2.836 -5.760 581 HA ILE 81 HA ILE 81 -7.399 -3.064 -3.065 582 HB ILE 81 HB ILE 81 -6.464 -1.399 -5.415 583 HG12 ILE 81 2HG1 ILE 81 -5.135 -3.650 -3.894 584 HG13 ILE 81 1HG1 ILE 81 -5.792 -3.754 -5.522 585 HG21 ILE 81 1HG2 ILE 81 -5.365 -1.470 -2.608 586 HG22 ILE 81 2HG2 ILE 81 -6.298 -0.148 -3.312 587 HG23 ILE 81 3HG2 ILE 81 -4.708 -0.553 -3.965 588 HD11 ILE 81 3HD1 ILE 81 -3.435 -2.131 -4.613 589 HD12 ILE 81 1HD1 ILE 81 -4.143 -2.041 -6.226 590 HD13 ILE 81 2HD1 ILE 81 -3.423 -3.551 -5.660 591 H CYS 82 H CYS 82 -8.543 -1.895 -1.627 592 HA CYS 82 HA CYS 82 -10.109 0.344 -2.689 593 HB2 CYS 82 2HB CYS 82 -10.512 -1.246 -0.170 594 HB3 CYS 82 1HB CYS 82 -11.502 0.122 -0.660 595 HG CYS 82 HG CYS 82 -11.209 -2.779 -2.453 596 H LEU 83 H LEU 83 -9.769 2.346 -2.116 597 HA LEU 83 HA LEU 83 -7.867 2.907 0.045 598 HB2 LEU 83 2HB LEU 83 -6.965 3.871 -1.849 599 HB3 LEU 83 1HB LEU 83 -8.527 4.249 -2.535 600 HG LEU 83 HG LEU 83 -8.787 6.157 -1.100 601 HD11 LEU 83 1HD1 LEU 83 -7.373 6.774 0.651 602 HD12 LEU 83 2HD1 LEU 83 -6.107 5.649 0.148 603 HD13 LEU 83 3HD1 LEU 83 -7.598 5.037 0.867 604 HD21 LEU 83 3HD2 LEU 83 -7.505 6.523 -3.114 605 HD22 LEU 83 1HD2 LEU 83 -6.019 6.050 -2.288 606 HD23 LEU 83 2HD2 LEU 83 -6.867 7.520 -1.808 607 H PHE 84 H PHE 84 -9.128 3.097 1.850 608 HA PHE 84 HA PHE 84 -11.582 4.665 1.707 609 HB2 PHE 84 2HB PHE 84 -11.311 2.440 3.002 610 HB3 PHE 84 1HB PHE 84 -10.479 3.411 4.210 611 HD1 PHE 84 1HD PHE 84 -11.755 5.477 5.104 612 HD2 PHE 84 2HD PHE 84 -13.611 2.235 3.065 613 HE1 PHE 84 1HE PHE 84 -13.922 6.105 6.086 614 HE2 PHE 84 2HE PHE 84 -15.781 2.859 4.042 615 HZ PHE 84 HZ PHE 84 -15.939 4.796 5.554 616 H ARG 85 H ARG 85 -11.624 6.767 2.185 617 HA ARG 85 HA ARG 85 -9.324 7.905 3.630 618 HB2 ARG 85 2HB ARG 85 -11.229 9.720 2.269 619 HB3 ARG 85 1HB ARG 85 -9.474 9.778 2.358 620 HG2 ARG 85 2HG ARG 85 -9.331 7.985 0.698 621 HG3 ARG 85 1HG ARG 85 -11.099 7.974 0.583 622 HD2 ARG 85 2HD ARG 85 -9.207 10.184 -0.190 623 HD3 ARG 85 1HD ARG 85 -10.290 9.268 -1.238 624 HE ARG 85 HE ARG 85 -11.787 10.602 0.741 625 HH11 ARG 85 1HH1 ARG 85 -9.938 11.225 -2.147 626 HH12 ARG 85 2HH1 ARG 85 -10.818 12.660 -2.555 627 HH21 ARG 85 1HH2 ARG 85 -12.951 12.487 0.209 628 HH22 ARG 85 2HH2 ARG 85 -12.533 13.376 -1.217 629 H LEU 86 H LEU 86 -10.080 7.382 5.675 630 HA LEU 86 HA LEU 86 -12.308 7.474 7.022 631 HB2 LEU 86 2HB LEU 86 -10.450 7.188 8.340 632 HB3 LEU 86 1HB LEU 86 -9.652 8.618 7.718 633 HG LEU 86 HG LEU 86 -11.221 10.025 9.025 634 HD11 LEU 86 1HD1 LEU 86 -13.079 8.430 9.162 635 HD12 LEU 86 2HD1 LEU 86 -12.592 9.002 10.757 636 HD13 LEU 86 3HD1 LEU 86 -12.110 7.395 10.211 637 HD21 LEU 86 3HD2 LEU 86 -10.223 9.544 11.213 638 HD22 LEU 86 1HD2 LEU 86 -9.031 9.496 9.912 639 HD23 LEU 86 2HD2 LEU 86 -9.650 7.992 10.601 640 H VAL 87 H VAL 87 -10.599 10.573 6.549 641 HA VAL 87 HA VAL 87 -12.327 12.319 7.663 642 HB VAL 87 HB VAL 87 -11.734 13.760 5.452 643 HG11 VAL 87 1HG1 VAL 87 -9.896 13.115 7.754 644 HG12 VAL 87 2HG1 VAL 87 -11.155 14.351 7.730 645 HG13 VAL 87 3HG1 VAL 87 -9.743 14.509 6.684 646 HG21 VAL 87 3HG2 VAL 87 -9.426 13.074 4.790 647 HG22 VAL 87 1HG2 VAL 87 -10.692 11.975 4.246 648 HG23 VAL 87 2HG2 VAL 87 -9.696 11.550 5.639 649 H ASP 88 H ASP 88 -12.489 11.826 4.138 650 HA ASP 88 HA ASP 88 -15.252 12.676 4.168 651 HB2 ASP 88 2HB ASP 88 -13.307 12.043 1.954 652 HB3 ASP 88 1HB ASP 88 -15.003 12.416 1.646 653 H ASN 89 H ASN 89 -14.077 9.960 5.072 654 HA ASN 89 HA ASN 89 -14.613 7.747 5.005 655 HB2 ASN 89 2HB ASN 89 -16.927 7.318 5.385 656 HB3 ASN 89 1HB ASN 89 -16.574 8.899 6.077 657 HD21 ASN 89 1HD2 ASN 89 -17.470 10.720 5.187 658 HD22 ASN 89 2HD2 ASN 89 -18.733 10.665 4.010 659 H GLU 90 H GLU 90 -13.889 8.864 2.384 660 HA GLU 90 HA GLU 90 -15.622 7.661 0.437 661 HB2 GLU 90 2HB GLU 90 -12.775 8.616 0.096 662 HB3 GLU 90 1HB GLU 90 -13.925 8.278 -1.190 663 HG2 GLU 90 2HG GLU 90 -14.287 10.403 0.896 664 HG3 GLU 90 1HG GLU 90 -13.621 10.679 -0.711 665 H GLN 91 H GLN 91 -14.710 6.087 -1.179 666 HA GLN 91 HA GLN 91 -12.716 4.251 -0.181 667 HB2 GLN 91 2HB GLN 91 -15.070 3.682 0.809 668 HB3 GLN 91 1HB GLN 91 -15.390 3.051 -0.802 669 HG2 GLN 91 2HG GLN 91 -13.276 1.682 -0.525 670 HG3 GLN 91 1HG GLN 91 -13.324 2.144 1.173 671 HE21 GLN 91 1HE2 GLN 91 -14.870 0.311 -1.343 672 HE22 GLN 91 2HE2 GLN 91 -15.883 -0.636 -0.312 673 H LEU 92 H LEU 92 -11.552 4.570 -2.023 674 HA LEU 92 HA LEU 92 -12.752 4.381 -4.636 675 HB2 LEU 92 2HB LEU 92 -9.852 4.513 -3.810 676 HB3 LEU 92 1HB LEU 92 -10.435 4.623 -5.457 677 HG LEU 92 HG LEU 92 -9.885 6.828 -4.715 678 HD11 LEU 92 1HD1 LEU 92 -12.865 6.407 -4.729 679 HD12 LEU 92 2HD1 LEU 92 -11.826 6.762 -6.110 680 HD13 LEU 92 3HD1 LEU 92 -12.073 7.978 -4.857 681 HD21 LEU 92 3HD2 LEU 92 -10.114 6.240 -2.258 682 HD22 LEU 92 1HD2 LEU 92 -11.833 6.584 -2.440 683 HD23 LEU 92 2HD2 LEU 92 -10.643 7.852 -2.739 684 H ASN 93 H ASN 93 -13.335 2.425 -5.396 685 HA ASN 93 HA ASN 93 -11.853 0.085 -4.507 686 HB2 ASN 93 2HB ASN 93 -13.706 -1.104 -5.889 687 HB3 ASN 93 1HB ASN 93 -14.123 -0.367 -4.349 688 HD21 ASN 93 1HD2 ASN 93 -15.349 1.516 -4.320 689 HD22 ASN 93 2HD2 ASN 93 -16.228 2.062 -5.704 690 H LEU 94 H LEU 94 -9.956 0.182 -5.639 691 HA LEU 94 HA LEU 94 -9.886 0.365 -8.508 692 HB2 LEU 94 2HB LEU 94 -8.064 1.005 -6.745 693 HB3 LEU 94 1HB LEU 94 -7.665 -0.701 -6.785 694 HG LEU 94 HG LEU 94 -7.782 0.693 -9.395 695 HD11 LEU 94 1HD1 LEU 94 -5.458 1.501 -9.081 696 HD12 LEU 94 2HD1 LEU 94 -5.597 1.134 -7.362 697 HD13 LEU 94 3HD1 LEU 94 -6.635 2.361 -8.088 698 HD21 LEU 94 3HD2 LEU 94 -7.260 -1.712 -9.125 699 HD22 LEU 94 1HD2 LEU 94 -5.835 -1.268 -8.186 700 HD23 LEU 94 2HD2 LEU 94 -5.955 -0.800 -9.884 701 H GLU 95 H GLU 95 -11.426 -1.329 -8.920 702 HA GLU 95 HA GLU 95 -10.869 -4.022 -8.092 703 HB2 GLU 95 2HB GLU 95 -12.903 -3.075 -10.102 704 HB3 GLU 95 1HB GLU 95 -12.888 -4.612 -9.247 705 HG2 GLU 95 2HG GLU 95 -13.352 -3.552 -7.171 706 HG3 GLU 95 1HG GLU 95 -13.128 -1.950 -7.876 707 H ASP 96 H ASP 96 -11.656 -5.494 -10.262 708 HA ASP 96 HA ASP 96 -9.291 -6.121 -11.520 709 HB2 ASP 96 2HB ASP 96 -11.160 -7.656 -11.476 710 HB3 ASP 96 1HB ASP 96 -12.117 -6.578 -12.486 711 H GLU 97 H GLU 97 -11.787 -3.867 -12.597 712 HA GLU 97 HA GLU 97 -10.936 -3.432 -15.207 713 HB2 GLU 97 2HB GLU 97 -12.100 -1.438 -13.252 714 HB3 GLU 97 1HB GLU 97 -11.976 -1.186 -14.987 715 HG2 GLU 97 2HG GLU 97 -13.550 -3.389 -13.676 716 HG3 GLU 97 1HG GLU 97 -14.226 -1.868 -14.262 717 H ASP 98 H ASP 98 -9.350 -2.786 -12.312 718 HA ASP 98 HA ASP 98 -7.332 -1.174 -13.702 719 HB2 ASP 98 2HB ASP 98 -8.376 -0.759 -10.888 720 HB3 ASP 98 1HB ASP 98 -6.971 0.065 -11.566 721 H ILE 99 H ILE 99 -8.033 -3.913 -11.815 722 HA ILE 99 HA ILE 99 -5.357 -4.167 -10.698 723 HB ILE 99 HB ILE 99 -7.797 -5.934 -10.500 724 HG12 ILE 99 2HG1 ILE 99 -7.783 -3.763 -9.262 725 HG13 ILE 99 1HG1 ILE 99 -7.936 -5.181 -8.236 726 HG21 ILE 99 1HG2 ILE 99 -6.487 -7.152 -8.740 727 HG22 ILE 99 2HG2 ILE 99 -5.046 -6.328 -9.337 728 HG23 ILE 99 3HG2 ILE 99 -5.941 -7.419 -10.396 729 HD11 ILE 99 3HD1 ILE 99 -5.517 -5.014 -7.741 730 HD12 ILE 99 1HD1 ILE 99 -6.455 -3.621 -7.206 731 HD13 ILE 99 2HD1 ILE 99 -5.473 -3.513 -8.668 732 H GLU 100 H GLU 100 -7.360 -5.635 -13.203 733 HA GLU 100 HA GLU 100 -5.882 -7.866 -13.854 734 HB2 GLU 100 2HB GLU 100 -8.046 -7.291 -14.878 735 HB3 GLU 100 1HB GLU 100 -7.274 -5.992 -15.776 736 HG2 GLU 100 2HG GLU 100 -7.581 -7.874 -17.222 737 HG3 GLU 100 1HG GLU 100 -5.859 -7.663 -16.911 738 H SER 101 H SER 101 -5.320 -4.514 -14.799 739 HA SER 101 HA SER 101 -2.664 -5.316 -15.784 740 HB2 SER 101 2HB SER 101 -2.829 -3.472 -17.455 741 HB3 SER 101 1HB SER 101 -4.029 -4.739 -17.711 742 HG SER 101 HG SER 101 -5.593 -3.426 -16.875 743 H ILE 102 H ILE 102 -3.337 -4.493 -13.147 744 HA ILE 102 HA ILE 102 -2.894 -1.770 -12.652 745 HB ILE 102 HB ILE 102 -3.821 -3.284 -10.966 746 HG12 ILE 102 2HG1 ILE 102 -2.369 -2.502 -9.035 747 HG13 ILE 102 1HG1 ILE 102 -1.277 -1.830 -10.241 748 HG21 ILE 102 1HG2 ILE 102 -2.525 -5.267 -11.350 749 HG22 ILE 102 2HG2 ILE 102 -2.266 -4.747 -9.686 750 HG23 ILE 102 3HG2 ILE 102 -1.033 -4.437 -10.909 751 HD11 ILE 102 3HD1 ILE 102 -2.974 -0.336 -11.027 752 HD12 ILE 102 1HD1 ILE 102 -2.829 -0.177 -9.277 753 HD13 ILE 102 2HD1 ILE 102 -4.171 -1.082 -9.972 754 H ASP 103 H ASP 103 -1.107 -0.597 -12.153 755 HA ASP 103 HA ASP 103 1.515 -1.890 -12.302 756 HB2 ASP 103 2HB ASP 103 0.866 0.673 -13.767 757 HB3 ASP 103 1HB ASP 103 2.389 -0.209 -13.792 758 H ALA 104 H ALA 104 3.141 -0.816 -11.082 759 HA ALA 104 HA ALA 104 2.388 0.333 -8.716 760 HB1 ALA 104 1HB ALA 104 4.623 -0.511 -9.098 761 HB2 ALA 104 2HB ALA 104 4.677 1.140 -8.474 762 HB3 ALA 104 3HB ALA 104 4.965 0.835 -10.189 763 H THR 105 H THR 105 2.971 1.904 -11.788 764 HA THR 105 HA THR 105 2.893 4.579 -10.929 765 HB THR 105 HB THR 105 2.018 3.407 -13.577 766 HG1 THR 105 1HG THR 105 4.491 4.250 -12.517 767 HG21 THR 105 3HG2 THR 105 1.063 5.585 -13.336 768 HG22 THR 105 1HG2 THR 105 2.451 5.713 -14.419 769 HG23 THR 105 2HG2 THR 105 2.589 6.243 -12.742 770 H LYS 106 H LYS 106 0.345 2.422 -12.129 771 HA LYS 106 HA LYS 106 -1.780 4.235 -11.993 772 HB2 LYS 106 2HB LYS 106 -1.852 1.229 -11.649 773 HB3 LYS 106 1HB LYS 106 -3.235 2.252 -12.009 774 HG2 LYS 106 2HG LYS 106 -2.280 2.858 -14.143 775 HG3 LYS 106 1HG LYS 106 -0.822 1.932 -13.780 776 HD2 LYS 106 2HD LYS 106 -2.173 0.571 -15.195 777 HD3 LYS 106 1HD LYS 106 -2.297 -0.099 -13.569 778 HE2 LYS 106 2HE LYS 106 -4.435 1.026 -13.252 779 HE3 LYS 106 1HE LYS 106 -4.306 1.747 -14.855 780 HZ1 LYS 106 3HZ LYS 106 -4.382 -0.456 -15.824 781 HZ2 LYS 106 1HZ LYS 106 -5.742 -0.203 -14.850 782 HZ3 LYS 106 2HZ LYS 106 -4.467 -1.165 -14.291 783 H LEU 107 H LEU 107 -1.000 1.629 -9.654 784 HA LEU 107 HA LEU 107 -2.856 2.266 -7.723 785 HB2 LEU 107 2HB LEU 107 -0.732 0.517 -7.897 786 HB3 LEU 107 1HB LEU 107 -0.243 1.574 -6.588 787 HG LEU 107 HG LEU 107 -2.535 -0.345 -6.712 788 HD11 LEU 107 1HD1 LEU 107 -0.319 0.284 -4.783 789 HD12 LEU 107 2HD1 LEU 107 -0.618 -1.213 -5.668 790 HD13 LEU 107 3HD1 LEU 107 -1.688 -0.741 -4.350 791 HD21 LEU 107 3HD2 LEU 107 -3.629 1.729 -6.109 792 HD22 LEU 107 1HD2 LEU 107 -2.399 2.055 -4.888 793 HD23 LEU 107 2HD2 LEU 107 -3.499 0.691 -4.692 794 H SER 108 H SER 108 0.519 3.404 -7.852 795 HA SER 108 HA SER 108 0.380 5.177 -5.701 796 HB2 SER 108 2HB SER 108 2.090 5.356 -8.192 797 HB3 SER 108 1HB SER 108 2.370 6.250 -6.695 798 HG SER 108 HG SER 108 2.099 3.602 -6.215 799 H ARG 109 H ARG 109 -0.657 5.505 -9.010 800 HA ARG 109 HA ARG 109 -0.942 8.328 -8.998 801 HB2 ARG 109 2HB ARG 109 -0.741 6.916 -11.054 802 HB3 ARG 109 1HB ARG 109 -2.354 6.302 -10.740 803 HG2 ARG 109 2HG ARG 109 -1.861 9.239 -11.035 804 HG3 ARG 109 1HG ARG 109 -2.061 8.198 -12.446 805 HD2 ARG 109 2HD ARG 109 -4.207 7.392 -11.362 806 HD3 ARG 109 1HD ARG 109 -4.025 8.737 -10.232 807 HE ARG 109 HE ARG 109 -3.830 9.879 -12.710 808 HH11 ARG 109 1HH1 ARG 109 -6.199 7.917 -11.070 809 HH12 ARG 109 2HH1 ARG 109 -7.541 8.590 -11.934 810 HH21 ARG 109 1HH2 ARG 109 -5.592 10.767 -13.853 811 HH22 ARG 109 2HH2 ARG 109 -7.197 10.206 -13.518 812 H PHE 110 H PHE 110 -3.463 5.814 -9.134 813 HA PHE 110 HA PHE 110 -5.674 7.278 -8.561 814 HB2 PHE 110 2HB PHE 110 -4.913 4.485 -7.753 815 HB3 PHE 110 1HB PHE 110 -6.449 5.175 -7.228 816 HD1 PHE 110 2HD PHE 110 -8.186 5.717 -8.852 817 HD2 PHE 110 1HD PHE 110 -4.540 3.872 -10.038 818 HE1 PHE 110 2HE PHE 110 -9.205 5.098 -11.005 819 HE2 PHE 110 1HE PHE 110 -5.552 3.249 -12.192 820 HZ PHE 110 HZ PHE 110 -7.888 3.861 -12.676 821 H ILE 111 H ILE 111 -3.342 6.002 -6.217 822 HA ILE 111 HA ILE 111 -4.644 6.959 -3.906 823 HB ILE 111 HB ILE 111 -1.703 6.449 -4.392 824 HG12 ILE 111 2HG1 ILE 111 -3.694 4.763 -2.874 825 HG13 ILE 111 1HG1 ILE 111 -3.354 4.530 -4.582 826 HG21 ILE 111 1HG2 ILE 111 -2.001 7.988 -2.536 827 HG22 ILE 111 2HG2 ILE 111 -1.495 6.400 -1.949 828 HG23 ILE 111 3HG2 ILE 111 -3.181 6.897 -1.803 829 HD11 ILE 111 3HD1 ILE 111 -1.318 4.355 -2.380 830 HD12 ILE 111 1HD1 ILE 111 -1.047 4.026 -4.091 831 HD13 ILE 111 2HD1 ILE 111 -2.112 2.981 -3.150 832 H GLU 112 H GLU 112 -1.891 8.287 -5.730 833 HA GLU 112 HA GLU 112 -1.621 10.685 -4.367 834 HB2 GLU 112 2HB GLU 112 -0.093 9.737 -6.153 835 HB3 GLU 112 1HB GLU 112 -1.238 10.353 -7.343 836 HG2 GLU 112 2HG GLU 112 0.549 11.919 -7.129 837 HG3 GLU 112 1HG GLU 112 -0.896 12.624 -6.407 838 H ILE 113 H ILE 113 -4.121 9.597 -6.368 839 HA ILE 113 HA ILE 113 -5.068 12.251 -7.070 840 HB ILE 113 HB ILE 113 -5.587 9.505 -7.992 841 HG12 ILE 113 2HG1 ILE 113 -5.736 10.615 -10.157 842 HG13 ILE 113 1HG1 ILE 113 -5.757 12.189 -9.373 843 HG21 ILE 113 1HG2 ILE 113 -7.812 11.525 -7.935 844 HG22 ILE 113 2HG2 ILE 113 -7.796 9.917 -7.212 845 HG23 ILE 113 3HG2 ILE 113 -7.790 10.093 -8.965 846 HD11 ILE 113 3HD1 ILE 113 -3.473 10.232 -9.301 847 HD12 ILE 113 1HD1 ILE 113 -3.492 11.838 -8.574 848 HD13 ILE 113 2HD1 ILE 113 -3.575 11.660 -10.327 849 H ASN 114 H ASN 114 -5.919 9.568 -4.926 850 HA ASN 114 HA ASN 114 -8.040 11.278 -3.797 851 HB2 ASN 114 2HB ASN 114 -8.038 8.264 -3.999 852 HB3 ASN 114 1HB ASN 114 -9.255 9.223 -3.163 853 HD21 ASN 114 1HD2 ASN 114 -10.226 10.990 -4.576 854 HD22 ASN 114 2HD2 ASN 114 -10.665 10.519 -6.181 855 H SER 115 H SER 115 -5.182 10.996 -3.005 856 HA SER 115 HA SER 115 -5.262 9.604 -0.480 857 HB2 SER 115 2HB SER 115 -2.963 10.423 -0.198 858 HB3 SER 115 1HB SER 115 -3.185 9.702 -1.794 859 HG SER 115 HG SER 115 -3.238 11.719 -2.694 860 H LEU 116 H LEU 116 -7.301 11.376 -0.480 861 HA LEU 116 HA LEU 116 -6.447 13.759 0.966 862 HB2 LEU 116 2HB LEU 116 -9.204 12.917 0.090 863 HB3 LEU 116 1HB LEU 116 -8.758 14.479 0.755 864 HG LEU 116 HG LEU 116 -7.882 13.344 -1.901 865 HD11 LEU 116 1HD1 LEU 116 -9.681 15.663 -1.212 866 HD12 LEU 116 2HD1 LEU 116 -10.193 14.111 -1.875 867 HD13 LEU 116 3HD1 LEU 116 -9.182 15.190 -2.835 868 HD21 LEU 116 3HD2 LEU 116 -6.080 14.647 -0.951 869 HD22 LEU 116 1HD2 LEU 116 -7.190 15.965 -0.578 870 HD23 LEU 116 2HD2 LEU 116 -6.842 15.554 -2.257 Start of MODEL 45 1 H GLU 1 H GLU 1 20.235 11.441 -17.194 2 HA GLU 1 HA GLU 1 17.921 13.073 -17.042 3 HB2 GLU 1 2HB GLU 1 16.308 11.563 -15.980 4 HB3 GLU 1 1HB GLU 1 16.673 11.046 -17.621 5 HG2 GLU 1 2HG GLU 1 18.147 9.319 -16.784 6 HG3 GLU 1 1HG GLU 1 17.882 9.868 -15.129 7 H VAL 2 H VAL 2 17.362 13.644 -14.854 8 HA VAL 2 HA VAL 2 19.452 12.887 -12.918 9 HB VAL 2 HB VAL 2 19.199 15.097 -11.898 10 HG11 VAL 2 1HG1 VAL 2 20.204 16.433 -13.706 11 HG12 VAL 2 2HG1 VAL 2 19.730 15.191 -14.865 12 HG13 VAL 2 3HG1 VAL 2 20.899 14.816 -13.599 13 HG21 VAL 2 3HG2 VAL 2 16.879 15.546 -12.431 14 HG22 VAL 2 1HG2 VAL 2 17.263 15.627 -14.151 15 HG23 VAL 2 2HG2 VAL 2 17.897 16.848 -13.047 16 H GLU 3 H GLU 3 16.662 11.831 -13.501 17 HA GLU 3 HA GLU 3 15.231 12.449 -11.048 18 HB2 GLU 3 2HB GLU 3 14.522 10.502 -13.250 19 HB3 GLU 3 1HB GLU 3 13.459 11.049 -11.961 20 HG2 GLU 3 2HG GLU 3 14.656 12.858 -14.046 21 HG3 GLU 3 1HG GLU 3 13.055 12.127 -14.163 22 H LYS 4 H LYS 4 17.835 10.723 -11.490 23 HA LYS 4 HA LYS 4 17.040 8.680 -9.543 24 HB2 LYS 4 2HB LYS 4 18.580 8.193 -12.093 25 HB3 LYS 4 1HB LYS 4 18.539 7.050 -10.758 26 HG2 LYS 4 2HG LYS 4 16.069 8.039 -12.161 27 HG3 LYS 4 1HG LYS 4 16.945 6.583 -12.636 28 HD2 LYS 4 2HD LYS 4 15.778 7.077 -9.896 29 HD3 LYS 4 1HD LYS 4 15.006 6.121 -11.161 30 HE2 LYS 4 2HE LYS 4 17.649 5.549 -9.823 31 HE3 LYS 4 1HE LYS 4 16.140 4.662 -9.599 32 HZ1 LYS 4 3HZ LYS 4 17.686 4.851 -12.128 33 HZ2 LYS 4 1HZ LYS 4 16.226 4.018 -11.934 34 HZ3 LYS 4 2HZ LYS 4 17.611 3.501 -11.111 35 H SER 5 H SER 5 19.331 7.412 -9.071 36 HA SER 5 HA SER 5 21.246 7.548 -7.855 37 HB2 SER 5 2HB SER 5 21.830 9.866 -9.714 38 HB3 SER 5 1HB SER 5 23.018 8.999 -8.741 39 HG SER 5 HG SER 5 21.709 8.224 -11.070 40 H SER 6 H SER 6 19.019 8.854 -6.730 41 HA SER 6 HA SER 6 20.398 10.894 -5.133 42 HB2 SER 6 2HB SER 6 17.577 11.143 -6.205 43 HB3 SER 6 1HB SER 6 18.342 12.263 -5.076 44 HG SER 6 HG SER 6 19.132 13.220 -6.757 45 H ASP 7 H ASP 7 17.196 9.323 -5.240 46 HA ASP 7 HA ASP 7 15.967 8.263 -3.647 47 HB2 ASP 7 2HB ASP 7 18.726 7.495 -2.671 48 HB3 ASP 7 1HB ASP 7 17.230 6.791 -2.067 49 H GLY 8 H GLY 8 15.056 10.118 -2.742 50 HA2 GLY 8 2HA GLY 8 16.403 11.238 -0.380 51 HA3 GLY 8 1HA GLY 8 15.096 12.003 -1.268 52 HA PRO 9 HA PRO 9 12.056 10.651 1.615 53 HB2 PRO 9 2HB PRO 9 10.549 9.397 -0.623 54 HB3 PRO 9 1HB PRO 9 10.018 10.600 0.560 55 HG2 PRO 9 2HG PRO 9 10.537 11.308 -1.952 56 HG3 PRO 9 1HG PRO 9 10.984 12.362 -0.597 57 HD2 PRO 9 2HD PRO 9 12.708 10.575 -2.263 58 HD3 PRO 9 1HD PRO 9 13.061 12.182 -1.595 59 H GLY 10 H GLY 10 12.485 9.025 2.961 60 HA2 GLY 10 2HA GLY 10 12.778 6.311 1.841 61 HA3 GLY 10 1HA GLY 10 13.545 6.865 3.321 62 H ALA 11 H ALA 11 11.898 4.530 2.981 63 HA ALA 11 HA ALA 11 10.090 4.981 5.178 64 HB1 ALA 11 1HB ALA 11 8.689 5.669 3.296 65 HB2 ALA 11 2HB ALA 11 8.080 4.192 4.040 66 HB3 ALA 11 3HB ALA 11 8.965 4.113 2.516 67 H ALA 12 H ALA 12 10.209 2.578 2.557 68 HA ALA 12 HA ALA 12 10.526 0.327 2.564 69 HB1 ALA 12 1HB ALA 12 12.346 0.806 4.909 70 HB2 ALA 12 2HB ALA 12 12.790 1.172 3.243 71 HB3 ALA 12 3HB ALA 12 12.431 -0.490 3.715 72 H GLN 13 H GLN 13 8.535 -0.445 3.123 73 HA GLN 13 HA GLN 13 8.295 -1.848 5.573 74 HB2 GLN 13 2HB GLN 13 6.154 -0.573 6.262 75 HB3 GLN 13 1HB GLN 13 7.713 0.124 6.679 76 HG2 GLN 13 2HG GLN 13 7.494 1.459 4.514 77 HG3 GLN 13 1HG GLN 13 5.803 0.962 4.531 78 HE21 GLN 13 1HE2 GLN 13 7.586 1.552 7.462 79 HE22 GLN 13 2HE2 GLN 13 6.769 3.009 7.901 80 H GLU 14 H GLU 14 6.221 -3.018 5.727 81 HA GLU 14 HA GLU 14 5.106 -3.475 3.042 82 HB2 GLU 14 2HB GLU 14 4.691 -5.749 3.687 83 HB3 GLU 14 1HB GLU 14 6.356 -5.366 4.101 84 HG2 GLU 14 2HG GLU 14 5.595 -4.946 6.438 85 HG3 GLU 14 1HG GLU 14 4.008 -5.551 5.964 86 HA PRO 15 HA PRO 15 1.071 -2.307 4.372 87 HB2 PRO 15 2HB PRO 15 -0.519 -4.081 3.057 88 HB3 PRO 15 1HB PRO 15 0.306 -2.735 2.260 89 HG2 PRO 15 2HG PRO 15 1.056 -5.620 2.379 90 HG3 PRO 15 1HG PRO 15 1.154 -4.487 1.020 91 HD2 PRO 15 2HD PRO 15 3.306 -5.195 2.529 92 HD3 PRO 15 1HD PRO 15 3.157 -3.617 1.727 93 H THR 16 H THR 16 -0.401 -2.694 5.952 94 HA THR 16 HA THR 16 0.091 -4.671 7.867 95 HB THR 16 HB THR 16 -2.515 -3.191 7.480 96 HG1 THR 16 1HG THR 16 -0.899 -2.129 9.353 97 HG21 THR 16 3HG2 THR 16 -1.221 -4.358 9.947 98 HG22 THR 16 1HG2 THR 16 -2.601 -5.042 9.090 99 HG23 THR 16 2HG2 THR 16 -2.750 -3.480 9.892 100 H TRP 17 H TRP 17 -1.112 -6.490 8.511 101 HA TRP 17 HA TRP 17 -2.389 -7.886 6.283 102 HB2 TRP 17 2HB TRP 17 -1.348 -8.883 8.939 103 HB3 TRP 17 1HB TRP 17 -2.102 -9.905 7.718 104 HD1 TRP 17 HD TRP 17 1.111 -7.937 8.409 105 HE1 TRP 17 1HE TRP 17 2.931 -8.743 6.778 106 HE3 TRP 17 3HE TRP 17 -1.744 -10.959 5.437 107 HZ2 TRP 17 2HZ TRP 17 3.130 -10.436 4.528 108 HZ3 TRP 17 3HZ TRP 17 -0.663 -12.135 3.566 109 HH2 TRP 17 HH TRP 17 1.724 -11.878 3.122 110 H LEU 18 H LEU 18 -4.416 -6.854 6.347 111 HA LEU 18 HA LEU 18 -6.015 -6.949 8.760 112 HB2 LEU 18 2HB LEU 18 -6.856 -6.181 5.967 113 HB3 LEU 18 1HB LEU 18 -7.698 -5.813 7.460 114 HG LEU 18 HG LEU 18 -4.973 -4.746 6.737 115 HD11 LEU 18 1HD1 LEU 18 -6.174 -2.596 6.435 116 HD12 LEU 18 2HD1 LEU 18 -7.694 -3.486 6.530 117 HD13 LEU 18 3HD1 LEU 18 -6.561 -3.815 5.221 118 HD21 LEU 18 3HD2 LEU 18 -6.859 -4.134 9.004 119 HD22 LEU 18 1HD2 LEU 18 -5.434 -3.174 8.604 120 HD23 LEU 18 2HD2 LEU 18 -5.252 -4.852 9.114 121 H THR 19 H THR 19 -5.825 -9.324 8.913 122 HA THR 19 HA THR 19 -7.099 -10.991 6.972 123 HB THR 19 HB THR 19 -6.816 -12.799 8.599 124 HG1 THR 19 1HG THR 19 -7.106 -11.081 10.413 125 HG21 THR 19 3HG2 THR 19 -4.404 -10.991 8.405 126 HG22 THR 19 1HG2 THR 19 -4.906 -12.186 7.210 127 HG23 THR 19 2HG2 THR 19 -4.370 -12.708 8.806 128 H ASP 20 H ASP 20 -8.452 -8.832 9.034 129 HA ASP 20 HA ASP 20 -10.976 -10.302 9.014 130 HB2 ASP 20 2HB ASP 20 -9.697 -9.151 11.492 131 HB3 ASP 20 1HB ASP 20 -11.411 -9.540 11.392 132 H VAL 21 H VAL 21 -12.820 -9.043 9.012 133 HA VAL 21 HA VAL 21 -12.701 -6.586 7.718 134 HB VAL 21 HB VAL 21 -14.982 -7.558 9.450 135 HG11 VAL 21 1HG1 VAL 21 -15.150 -5.212 8.769 136 HG12 VAL 21 2HG1 VAL 21 -16.379 -6.207 7.989 137 HG13 VAL 21 3HG1 VAL 21 -14.958 -5.690 7.083 138 HG21 VAL 21 3HG2 VAL 21 -15.875 -8.535 7.361 139 HG22 VAL 21 1HG2 VAL 21 -14.374 -9.297 7.886 140 HG23 VAL 21 2HG2 VAL 21 -14.356 -8.139 6.557 141 HA PRO 22 HA PRO 22 -13.608 -4.514 12.078 142 HB2 PRO 22 2HB PRO 22 -12.370 -5.875 14.142 143 HB3 PRO 22 1HB PRO 22 -14.097 -5.952 13.778 144 HG2 PRO 22 2HG PRO 22 -11.914 -7.852 13.030 145 HG3 PRO 22 1HG PRO 22 -13.566 -8.199 13.577 146 HD2 PRO 22 2HD PRO 22 -12.894 -8.377 10.997 147 HD3 PRO 22 1HD PRO 22 -14.481 -7.753 11.490 148 H ALA 23 H ALA 23 -10.647 -6.500 11.879 149 HA ALA 23 HA ALA 23 -8.918 -4.528 12.901 150 HB1 ALA 23 1HB ALA 23 -7.108 -5.893 12.053 151 HB2 ALA 23 2HB ALA 23 -8.225 -6.778 11.015 152 HB3 ALA 23 3HB ALA 23 -8.342 -6.931 12.769 153 H ALA 24 H ALA 24 -10.108 -5.247 9.722 154 HA ALA 24 HA ALA 24 -8.352 -3.615 8.231 155 HB1 ALA 24 1HB ALA 24 -9.714 -5.318 7.153 156 HB2 ALA 24 2HB ALA 24 -10.077 -3.735 6.464 157 HB3 ALA 24 3HB ALA 24 -11.188 -4.470 7.621 158 H MET 25 H MET 25 -11.710 -3.036 9.256 159 HA MET 25 HA MET 25 -11.823 -0.336 8.515 160 HB2 MET 25 2HB MET 25 -13.391 -1.749 10.678 161 HB3 MET 25 1HB MET 25 -13.820 -0.219 9.926 162 HG2 MET 25 2HG MET 25 -13.902 -1.475 7.732 163 HG3 MET 25 1HG MET 25 -13.794 -2.952 8.687 164 HE1 MET 25 3HE MET 25 -17.576 -2.476 7.395 165 HE2 MET 25 1HE MET 25 -16.058 -3.320 7.085 166 HE3 MET 25 2HE MET 25 -16.235 -1.625 6.628 167 H GLU 26 H GLU 26 -10.493 -1.894 11.325 168 HA GLU 26 HA GLU 26 -10.496 0.417 12.998 169 HB2 GLU 26 2HB GLU 26 -9.146 -2.251 13.101 170 HB3 GLU 26 1HB GLU 26 -8.621 -0.969 14.185 171 HG2 GLU 26 2HG GLU 26 -11.018 -0.751 14.908 172 HG3 GLU 26 1HG GLU 26 -11.336 -2.232 14.003 173 H PHE 27 H PHE 27 -7.966 -1.196 11.080 174 HA PHE 27 HA PHE 27 -5.964 0.691 11.595 175 HB2 PHE 27 2HB PHE 27 -6.390 -1.447 9.588 176 HB3 PHE 27 1HB PHE 27 -5.236 -0.191 9.152 177 HD1 PHE 27 1HD PHE 27 -5.977 -2.913 11.492 178 HD2 PHE 27 2HD PHE 27 -3.150 0.040 10.314 179 HE1 PHE 27 1HE PHE 27 -4.262 -4.009 12.877 180 HE2 PHE 27 2HE PHE 27 -1.429 -1.050 11.692 181 HZ PHE 27 HZ PHE 27 -1.984 -3.078 12.976 182 H ILE 28 H ILE 28 -8.621 0.628 9.338 183 HA ILE 28 HA ILE 28 -7.750 2.890 7.806 184 HB ILE 28 HB ILE 28 -10.387 1.457 8.057 185 HG12 ILE 28 2HG1 ILE 28 -8.659 1.868 5.616 186 HG13 ILE 28 1HG1 ILE 28 -8.421 0.520 6.728 187 HG21 ILE 28 1HG2 ILE 28 -10.967 3.769 7.741 188 HG22 ILE 28 2HG2 ILE 28 -11.225 2.903 6.229 189 HG23 ILE 28 3HG2 ILE 28 -9.802 3.924 6.429 190 HD11 ILE 28 3HD1 ILE 28 -11.040 1.066 5.368 191 HD12 ILE 28 1HD1 ILE 28 -10.534 -0.398 6.210 192 HD13 ILE 28 2HD1 ILE 28 -9.786 0.040 4.674 193 H ALA 29 H ALA 29 -9.883 2.361 10.560 194 HA ALA 29 HA ALA 29 -10.819 5.052 10.715 195 HB1 ALA 29 1HB ALA 29 -12.148 3.235 11.616 196 HB2 ALA 29 2HB ALA 29 -11.734 4.374 12.897 197 HB3 ALA 29 3HB ALA 29 -10.872 2.839 12.770 198 H ALA 30 H ALA 30 -7.961 3.460 11.686 199 HA ALA 30 HA ALA 30 -7.317 5.440 13.730 200 HB1 ALA 30 1HB ALA 30 -6.788 3.090 14.166 201 HB2 ALA 30 2HB ALA 30 -5.335 4.089 14.147 202 HB3 ALA 30 3HB ALA 30 -5.722 3.071 12.760 203 H THR 31 H THR 31 -7.559 6.121 10.844 204 HA THR 31 HA THR 31 -5.308 7.838 10.660 205 HB THR 31 HB THR 31 -4.134 5.814 9.988 206 HG1 THR 31 1HG THR 31 -4.674 7.445 7.712 207 HG21 THR 31 3HG2 THR 31 -5.741 5.523 7.512 208 HG22 THR 31 1HG2 THR 31 -6.437 4.903 9.009 209 HG23 THR 31 2HG2 THR 31 -4.873 4.309 8.453 210 H GLU 32 H GLU 32 -5.383 9.242 8.827 211 HA GLU 32 HA GLU 32 -8.022 9.911 8.010 212 HB2 GLU 32 2HB GLU 32 -5.964 11.437 8.300 213 HB3 GLU 32 1HB GLU 32 -5.509 10.910 6.686 214 HG2 GLU 32 2HG GLU 32 -7.554 11.798 5.777 215 HG3 GLU 32 1HG GLU 32 -8.117 12.227 7.392 216 H VAL 33 H VAL 33 -5.204 8.862 6.068 217 HA VAL 33 HA VAL 33 -7.098 7.858 4.047 218 HB VAL 33 HB VAL 33 -4.186 8.480 3.578 219 HG11 VAL 33 1HG1 VAL 33 -4.870 8.533 1.219 220 HG12 VAL 33 2HG1 VAL 33 -6.516 8.091 1.694 221 HG13 VAL 33 3HG1 VAL 33 -5.181 6.965 1.965 222 HG21 VAL 33 3HG2 VAL 33 -5.259 10.528 4.271 223 HG22 VAL 33 1HG2 VAL 33 -6.591 10.247 3.149 224 HG23 VAL 33 2HG2 VAL 33 -4.972 10.577 2.530 225 H ALA 34 H ALA 34 -6.993 5.760 3.379 226 HA ALA 34 HA ALA 34 -4.795 4.083 4.329 227 HB1 ALA 34 1HB ALA 34 -7.699 3.557 4.920 228 HB2 ALA 34 2HB ALA 34 -6.405 3.842 6.083 229 HB3 ALA 34 3HB ALA 34 -6.417 2.363 5.117 230 H VAL 35 H VAL 35 -4.111 2.753 2.811 231 HA VAL 35 HA VAL 35 -5.948 2.078 0.613 232 HB VAL 35 HB VAL 35 -2.970 2.546 0.556 233 HG11 VAL 35 1HG1 VAL 35 -3.073 1.879 -1.829 234 HG12 VAL 35 2HG1 VAL 35 -4.722 1.308 -1.571 235 HG13 VAL 35 3HG1 VAL 35 -3.379 0.533 -0.730 236 HG21 VAL 35 3HG2 VAL 35 -5.337 3.755 -0.859 237 HG22 VAL 35 1HG2 VAL 35 -3.654 4.140 -1.228 238 HG23 VAL 35 2HG2 VAL 35 -4.320 4.523 0.362 239 H ILE 36 H ILE 36 -6.356 0.012 0.270 240 HA ILE 36 HA ILE 36 -4.624 -1.988 1.543 241 HB ILE 36 HB ILE 36 -7.627 -1.865 1.756 242 HG12 ILE 36 2HG1 ILE 36 -5.739 -1.969 4.068 243 HG13 ILE 36 1HG1 ILE 36 -5.944 -0.442 3.221 244 HG21 ILE 36 1HG2 ILE 36 -5.670 -3.980 2.656 245 HG22 ILE 36 2HG2 ILE 36 -7.003 -4.164 1.514 246 HG23 ILE 36 3HG2 ILE 36 -7.340 -3.870 3.222 247 HD11 ILE 36 3HD1 ILE 36 -8.377 -0.619 3.628 248 HD12 ILE 36 1HD1 ILE 36 -7.403 -0.489 5.092 249 HD13 ILE 36 2HD1 ILE 36 -8.061 -2.055 4.604 250 H GLY 37 H GLY 37 -4.277 -3.809 0.443 251 HA2 GLY 37 2HA GLY 37 -5.515 -4.022 -2.203 252 HA3 GLY 37 1HA GLY 37 -4.009 -4.773 -1.717 253 H PHE 38 H PHE 38 -7.436 -5.090 -1.889 254 HA PHE 38 HA PHE 38 -7.550 -7.507 -0.287 255 HB2 PHE 38 2HB PHE 38 -9.670 -6.331 -2.103 256 HB3 PHE 38 1HB PHE 38 -9.907 -7.534 -0.838 257 HD1 PHE 38 1HD PHE 38 -8.676 -4.052 -1.307 258 HD2 PHE 38 2HD PHE 38 -10.607 -6.852 1.246 259 HE1 PHE 38 1HE PHE 38 -9.126 -2.262 0.312 260 HE2 PHE 38 2HE PHE 38 -11.063 -5.059 2.869 261 HZ PHE 38 HZ PHE 38 -10.321 -2.762 2.403 262 H PHE 39 H PHE 39 -6.185 -8.956 -1.304 263 HA PHE 39 HA PHE 39 -6.863 -9.682 -4.075 264 HB2 PHE 39 2HB PHE 39 -4.301 -10.317 -2.617 265 HB3 PHE 39 1HB PHE 39 -4.618 -10.455 -4.346 266 HD1 PHE 39 2HD PHE 39 -5.820 -7.947 -5.061 267 HD2 PHE 39 1HD PHE 39 -2.680 -8.724 -2.299 268 HE1 PHE 39 2HE PHE 39 -4.964 -5.668 -5.401 269 HE2 PHE 39 1HE PHE 39 -1.818 -6.442 -2.632 270 HZ PHE 39 HZ PHE 39 -2.960 -4.912 -4.186 271 H GLN 40 H GLN 40 -7.297 -11.753 -4.634 272 HA GLN 40 HA GLN 40 -7.853 -13.627 -2.478 273 HB2 GLN 40 2HB GLN 40 -8.333 -13.858 -5.462 274 HB3 GLN 40 1HB GLN 40 -8.896 -14.997 -4.247 275 HG2 GLN 40 2HG GLN 40 -10.315 -13.303 -3.268 276 HG3 GLN 40 1HG GLN 40 -9.706 -12.103 -4.406 277 HE21 GLN 40 1HE2 GLN 40 -11.726 -11.683 -5.254 278 HE22 GLN 40 2HE2 GLN 40 -12.562 -12.803 -6.269 279 H ASP 41 H ASP 41 -5.341 -12.774 -4.415 280 HA ASP 41 HA ASP 41 -3.848 -15.194 -3.823 281 HB2 ASP 41 2HB ASP 41 -4.846 -15.526 -6.108 282 HB3 ASP 41 1HB ASP 41 -3.981 -14.086 -6.644 283 H LEU 42 H LEU 42 -1.962 -14.537 -2.968 284 HA LEU 42 HA LEU 42 -1.133 -11.784 -3.423 285 HB2 LEU 42 2HB LEU 42 -0.129 -13.845 -1.463 286 HB3 LEU 42 1HB LEU 42 0.470 -12.198 -1.575 287 HG LEU 42 HG LEU 42 -2.358 -12.979 -0.877 288 HD11 LEU 42 1HD1 LEU 42 -0.128 -11.913 0.850 289 HD12 LEU 42 2HD1 LEU 42 -0.781 -13.550 0.891 290 HD13 LEU 42 3HD1 LEU 42 -1.793 -12.186 1.363 291 HD21 LEU 42 3HD2 LEU 42 -0.982 -10.302 -1.059 292 HD22 LEU 42 1HD2 LEU 42 -2.534 -10.561 -0.262 293 HD23 LEU 42 2HD2 LEU 42 -2.371 -10.864 -1.991 294 H GLU 43 H GLU 43 -0.817 -13.221 -5.665 295 HA GLU 43 HA GLU 43 2.099 -13.271 -5.939 296 HB2 GLU 43 2HB GLU 43 0.237 -15.361 -7.084 297 HB3 GLU 43 1HB GLU 43 1.957 -15.242 -7.416 298 HG2 GLU 43 2HG GLU 43 2.412 -15.615 -5.031 299 HG3 GLU 43 1HG GLU 43 0.683 -15.816 -4.759 300 H ILE 44 H ILE 44 -0.580 -11.780 -6.713 301 HA ILE 44 HA ILE 44 -0.211 -11.558 -9.591 302 HB ILE 44 HB ILE 44 -2.081 -9.789 -9.278 303 HG12 ILE 44 2HG1 ILE 44 -2.819 -11.327 -6.855 304 HG13 ILE 44 1HG1 ILE 44 -1.601 -10.074 -6.668 305 HG21 ILE 44 1HG2 ILE 44 -2.749 -12.664 -8.668 306 HG22 ILE 44 2HG2 ILE 44 -2.289 -12.076 -10.269 307 HG23 ILE 44 3HG2 ILE 44 -3.756 -11.473 -9.496 308 HD11 ILE 44 3HD1 ILE 44 -3.574 -8.990 -6.181 309 HD12 ILE 44 1HD1 ILE 44 -4.464 -9.826 -7.454 310 HD13 ILE 44 2HD1 ILE 44 -3.300 -8.568 -7.871 311 HA PRO 45 HA PRO 45 2.342 -7.969 -9.838 312 HB2 PRO 45 2HB PRO 45 0.081 -6.699 -11.327 313 HB3 PRO 45 1HB PRO 45 1.790 -6.793 -11.756 314 HG2 PRO 45 2HG PRO 45 0.033 -8.382 -12.943 315 HG3 PRO 45 1HG PRO 45 1.621 -9.008 -12.462 316 HD2 PRO 45 2HD PRO 45 -1.048 -9.430 -11.192 317 HD3 PRO 45 1HD PRO 45 0.324 -10.546 -11.336 318 H ALA 46 H ALA 46 -1.014 -7.539 -8.907 319 HA ALA 46 HA ALA 46 -0.890 -4.891 -8.013 320 HB1 ALA 46 1HB ALA 46 -2.646 -7.023 -6.839 321 HB2 ALA 46 2HB ALA 46 -2.946 -6.279 -8.410 322 HB3 ALA 46 3HB ALA 46 -2.961 -5.290 -6.948 323 H VAL 47 H VAL 47 -0.134 -7.916 -6.336 324 HA VAL 47 HA VAL 47 0.017 -6.828 -3.753 325 HB VAL 47 HB VAL 47 1.779 -9.118 -4.557 326 HG11 VAL 47 1HG1 VAL 47 0.161 -8.509 -2.082 327 HG12 VAL 47 2HG1 VAL 47 1.905 -8.321 -2.259 328 HG13 VAL 47 3HG1 VAL 47 1.182 -9.927 -2.321 329 HG21 VAL 47 3HG2 VAL 47 -0.063 -10.645 -4.427 330 HG22 VAL 47 1HG2 VAL 47 -0.451 -9.418 -5.631 331 HG23 VAL 47 2HG2 VAL 47 -1.179 -9.342 -4.028 332 HA PRO 48 HA PRO 48 4.839 -6.351 -4.431 333 HB2 PRO 48 2HB PRO 48 4.932 -6.093 -7.385 334 HB3 PRO 48 1HB PRO 48 6.057 -6.911 -6.290 335 HG2 PRO 48 2HG PRO 48 4.397 -8.303 -7.848 336 HG3 PRO 48 1HG PRO 48 4.767 -8.836 -6.197 337 HD2 PRO 48 2HD PRO 48 2.333 -7.458 -7.245 338 HD3 PRO 48 1HD PRO 48 2.462 -8.760 -6.052 339 H ILE 49 H ILE 49 2.653 -4.990 -6.839 340 HA ILE 49 HA ILE 49 3.819 -2.441 -7.002 341 HB ILE 49 HB ILE 49 1.169 -3.586 -7.730 342 HG12 ILE 49 2HG1 ILE 49 2.961 -1.978 -9.492 343 HG13 ILE 49 1HG1 ILE 49 3.438 -3.610 -9.045 344 HG21 ILE 49 1HG2 ILE 49 1.786 -0.681 -7.484 345 HG22 ILE 49 2HG2 ILE 49 0.321 -1.556 -7.045 346 HG23 ILE 49 3HG2 ILE 49 0.695 -1.257 -8.741 347 HD11 ILE 49 3HD1 ILE 49 0.749 -3.038 -10.223 348 HD12 ILE 49 1HD1 ILE 49 1.626 -4.566 -10.147 349 HD13 ILE 49 2HD1 ILE 49 2.174 -3.286 -11.232 350 H LEU 50 H LEU 50 1.436 -3.819 -4.812 351 HA LEU 50 HA LEU 50 0.777 -1.305 -3.596 352 HB2 LEU 50 2HB LEU 50 -0.853 -3.073 -3.523 353 HB3 LEU 50 1HB LEU 50 0.281 -4.152 -2.740 354 HG LEU 50 HG LEU 50 0.276 -2.583 -0.770 355 HD11 LEU 50 1HD1 LEU 50 -1.552 -1.004 -0.561 356 HD12 LEU 50 2HD1 LEU 50 -2.102 -1.397 -2.190 357 HD13 LEU 50 3HD1 LEU 50 -0.547 -0.602 -1.955 358 HD21 LEU 50 3HD2 LEU 50 -1.655 -3.522 0.185 359 HD22 LEU 50 1HD2 LEU 50 -1.100 -4.706 -1.000 360 HD23 LEU 50 2HD2 LEU 50 -2.470 -3.657 -1.378 361 H HIS 51 H HIS 51 2.679 -4.137 -2.546 362 HA HIS 51 HA HIS 51 3.644 -3.108 -0.158 363 HB2 HIS 51 2HB HIS 51 4.951 -4.990 -2.133 364 HB3 HIS 51 1HB HIS 51 5.630 -4.628 -0.547 365 HD1 HIS 51 1HD HIS 51 5.287 -6.725 0.736 366 HD2 HIS 51 2HD HIS 51 1.872 -5.597 -1.345 367 HE1 HIS 51 1HE HIS 51 3.503 -8.349 1.442 368 HE2 HIS 51 2HE HIS 51 1.433 -7.624 0.201 369 H SER 52 H SER 52 4.428 -2.307 -3.412 370 HA SER 52 HA SER 52 6.906 -0.966 -2.752 371 HB2 SER 52 2HB SER 52 6.663 -2.059 -4.939 372 HB3 SER 52 1HB SER 52 5.310 -0.996 -5.327 373 HG SER 52 HG SER 52 8.044 -0.433 -5.195 374 H MET 53 H MET 53 3.624 -0.026 -3.775 375 HA MET 53 HA MET 53 4.022 2.739 -3.773 376 HB2 MET 53 2HB MET 53 1.724 2.965 -3.942 377 HB3 MET 53 1HB MET 53 1.969 1.334 -4.547 378 HG2 MET 53 2HG MET 53 0.146 1.109 -3.156 379 HG3 MET 53 1HG MET 53 1.485 0.596 -2.134 380 HE1 MET 53 3HE MET 53 0.363 0.894 0.151 381 HE2 MET 53 1HE MET 53 -1.156 1.213 -0.687 382 HE3 MET 53 2HE MET 53 -0.622 2.286 0.606 383 H VAL 54 H VAL 54 3.661 0.458 -1.231 384 HA VAL 54 HA VAL 54 2.801 1.971 0.905 385 HB VAL 54 HB VAL 54 4.806 -0.267 0.800 386 HG11 VAL 54 1HG1 VAL 54 4.475 -0.495 3.229 387 HG12 VAL 54 2HG1 VAL 54 3.571 1.019 3.223 388 HG13 VAL 54 3HG1 VAL 54 5.281 1.011 2.787 389 HG21 VAL 54 3HG2 VAL 54 2.757 -1.355 2.018 390 HG22 VAL 54 1HG2 VAL 54 2.790 -1.215 0.259 391 HG23 VAL 54 2HG2 VAL 54 1.868 -0.060 1.216 392 H GLN 55 H GLN 55 6.141 1.546 -0.248 393 HA GLN 55 HA GLN 55 7.202 3.389 1.671 394 HB2 GLN 55 2HB GLN 55 8.597 2.494 -0.826 395 HB3 GLN 55 1HB GLN 55 9.292 2.944 0.725 396 HG2 GLN 55 2HG GLN 55 8.444 0.920 1.733 397 HG3 GLN 55 1HG GLN 55 7.640 0.481 0.226 398 HE21 GLN 55 1HE2 GLN 55 8.760 -1.447 0.045 399 HE22 GLN 55 2HE2 GLN 55 10.434 -1.511 -0.374 400 H LYS 56 H LYS 56 5.500 3.745 -1.168 401 HA LYS 56 HA LYS 56 6.782 6.253 -1.939 402 HB2 LYS 56 2HB LYS 56 4.445 4.802 -3.196 403 HB3 LYS 56 1HB LYS 56 5.271 6.203 -3.862 404 HG2 LYS 56 2HG LYS 56 7.317 4.901 -4.096 405 HG3 LYS 56 1HG LYS 56 6.505 3.494 -3.409 406 HD2 LYS 56 2HD LYS 56 6.429 3.166 -5.734 407 HD3 LYS 56 1HD LYS 56 4.821 3.753 -5.308 408 HE2 LYS 56 2HE LYS 56 5.493 4.927 -7.262 409 HE3 LYS 56 1HE LYS 56 5.607 6.055 -5.911 410 HZ1 LYS 56 3HZ LYS 56 7.881 4.566 -7.109 411 HZ2 LYS 56 1HZ LYS 56 7.985 5.660 -5.821 412 HZ3 LYS 56 2HZ LYS 56 7.536 6.203 -7.359 413 H PHE 57 H PHE 57 4.169 5.044 -0.117 414 HA PHE 57 HA PHE 57 3.166 7.773 0.278 415 HB2 PHE 57 2HB PHE 57 1.576 5.318 -0.393 416 HB3 PHE 57 1HB PHE 57 0.847 6.665 0.480 417 HD1 PHE 57 1HD PHE 57 0.631 8.864 -0.595 418 HD2 PHE 57 2HD PHE 57 2.062 5.465 -2.716 419 HE1 PHE 57 1HE PHE 57 0.225 10.028 -2.722 420 HE2 PHE 57 2HE PHE 57 1.658 6.622 -4.848 421 HZ PHE 57 HZ PHE 57 0.740 8.906 -4.854 422 HA PRO 58 HA PRO 58 4.299 5.441 4.271 423 HB2 PRO 58 2HB PRO 58 5.277 7.835 5.341 424 HB3 PRO 58 1HB PRO 58 6.257 6.535 4.652 425 HG2 PRO 58 2HG PRO 58 5.294 9.065 3.383 426 HG3 PRO 58 1HG PRO 58 6.864 8.253 3.219 427 HD2 PRO 58 2HD PRO 58 5.055 8.058 1.285 428 HD3 PRO 58 1HD PRO 58 6.007 6.636 1.761 429 H GLY 59 H GLY 59 3.086 8.757 3.778 430 HA2 GLY 59 2HA GLY 59 1.671 9.037 6.156 431 HA3 GLY 59 1HA GLY 59 1.254 9.837 4.644 432 H VAL 60 H VAL 60 0.655 7.629 3.080 433 HA VAL 60 HA VAL 60 -2.021 7.097 3.814 434 HB VAL 60 HB VAL 60 -0.187 5.994 1.698 435 HG11 VAL 60 1HG1 VAL 60 -3.041 5.133 2.191 436 HG12 VAL 60 2HG1 VAL 60 -1.605 4.123 2.368 437 HG13 VAL 60 3HG1 VAL 60 -2.072 4.720 0.776 438 HG21 VAL 60 3HG2 VAL 60 -1.049 8.200 1.300 439 HG22 VAL 60 1HG2 VAL 60 -2.694 7.667 1.647 440 HG23 VAL 60 2HG2 VAL 60 -1.858 7.073 0.211 441 H SER 61 H SER 61 -2.984 5.238 4.649 442 HA SER 61 HA SER 61 -1.245 3.622 6.298 443 HB2 SER 61 2HB SER 61 -3.338 4.387 7.254 444 HB3 SER 61 1HB SER 61 -4.247 3.596 5.970 445 HG SER 61 HG SER 61 -3.549 2.562 8.260 446 H PHE 62 H PHE 62 -0.092 2.245 5.066 447 HA PHE 62 HA PHE 62 -1.052 0.794 2.859 448 HB2 PHE 62 2HB PHE 62 0.962 -0.739 3.462 449 HB3 PHE 62 1HB PHE 62 1.270 0.925 2.969 450 HD1 PHE 62 2HD PHE 62 1.156 -1.369 5.847 451 HD2 PHE 62 1HD PHE 62 2.190 2.523 4.474 452 HE1 PHE 62 2HE PHE 62 2.374 -0.957 7.942 453 HE2 PHE 62 1HE PHE 62 3.407 2.942 6.569 454 HZ PHE 62 HZ PHE 62 3.500 1.202 8.308 455 H GLY 63 H GLY 63 -2.240 -0.986 2.703 456 HA2 GLY 63 2HA GLY 63 -2.362 -2.857 4.940 457 HA3 GLY 63 1HA GLY 63 -3.869 -2.090 4.462 458 H ILE 64 H ILE 64 -3.450 -4.856 4.407 459 HA ILE 64 HA ILE 64 -4.148 -5.373 1.670 460 HB ILE 64 HB ILE 64 -1.536 -5.484 1.971 461 HG12 ILE 64 2HG1 ILE 64 -3.089 -7.624 0.515 462 HG13 ILE 64 1HG1 ILE 64 -2.779 -5.999 -0.084 463 HG21 ILE 64 1HG2 ILE 64 -0.749 -7.767 2.436 464 HG22 ILE 64 2HG2 ILE 64 -2.382 -8.210 2.925 465 HG23 ILE 64 3HG2 ILE 64 -1.486 -7.005 3.844 466 HD11 ILE 64 3HD1 ILE 64 -1.270 -7.571 -1.114 467 HD12 ILE 64 1HD1 ILE 64 -0.719 -8.123 0.468 468 HD13 ILE 64 2HD1 ILE 64 -0.371 -6.476 -0.062 469 H SER 65 H SER 65 -5.342 -7.252 1.441 470 HA SER 65 HA SER 65 -5.567 -9.032 3.738 471 HB2 SER 65 2HB SER 65 -7.220 -7.301 4.221 472 HB3 SER 65 1HB SER 65 -7.935 -7.513 2.622 473 HG SER 65 HG SER 65 -9.047 -8.649 4.315 474 H THR 66 H THR 66 -6.581 -11.012 3.305 475 HA THR 66 HA THR 66 -7.188 -11.600 0.499 476 HB THR 66 HB THR 66 -5.936 -13.716 0.626 477 HG1 THR 66 1HG THR 66 -5.898 -13.233 3.199 478 HG21 THR 66 3HG2 THR 66 -4.159 -11.379 1.301 479 HG22 THR 66 1HG2 THR 66 -4.897 -11.639 -0.280 480 HG23 THR 66 2HG2 THR 66 -3.738 -12.807 0.356 481 H ASP 67 H ASP 67 -8.085 -11.660 3.658 482 HA ASP 67 HA ASP 67 -9.323 -14.181 3.943 483 HB2 ASP 67 2HB ASP 67 -8.820 -12.634 5.827 484 HB3 ASP 67 1HB ASP 67 -10.100 -11.569 5.255 485 H SER 68 H SER 68 -11.403 -14.859 3.565 486 HA SER 68 HA SER 68 -12.729 -13.759 1.337 487 HB2 SER 68 2HB SER 68 -13.734 -15.757 3.377 488 HB3 SER 68 1HB SER 68 -14.485 -15.430 1.815 489 HG SER 68 HG SER 68 -12.911 -16.472 0.817 490 H GLU 69 H GLU 69 -13.617 -13.779 4.793 491 HA GLU 69 HA GLU 69 -16.040 -12.483 4.650 492 HB2 GLU 69 2HB GLU 69 -13.962 -12.077 6.798 493 HB3 GLU 69 1HB GLU 69 -15.689 -11.780 6.942 494 HG2 GLU 69 2HG GLU 69 -16.108 -14.176 6.572 495 HG3 GLU 69 1HG GLU 69 -14.368 -14.449 6.514 496 H VAL 70 H VAL 70 -12.814 -11.004 4.765 497 HA VAL 70 HA VAL 70 -13.834 -8.347 4.795 498 HB VAL 70 HB VAL 70 -11.086 -9.383 4.090 499 HG11 VAL 70 1HG1 VAL 70 -11.311 -7.289 2.987 500 HG12 VAL 70 2HG1 VAL 70 -10.375 -7.006 4.457 501 HG13 VAL 70 3HG1 VAL 70 -12.079 -6.561 4.399 502 HG21 VAL 70 3HG2 VAL 70 -10.610 -8.202 6.342 503 HG22 VAL 70 1HG2 VAL 70 -11.374 -9.794 6.355 504 HG23 VAL 70 2HG2 VAL 70 -12.350 -8.345 6.591 505 H LEU 71 H LEU 71 -12.317 -10.309 2.238 506 HA LEU 71 HA LEU 71 -12.641 -8.462 0.163 507 HB2 LEU 71 2HB LEU 71 -12.263 -11.417 0.302 508 HB3 LEU 71 1HB LEU 71 -12.718 -10.703 -1.235 509 HG LEU 71 HG LEU 71 -10.729 -9.407 -1.338 510 HD11 LEU 71 1HD1 LEU 71 -9.056 -9.429 0.485 511 HD12 LEU 71 2HD1 LEU 71 -10.219 -10.279 1.499 512 HD13 LEU 71 3HD1 LEU 71 -10.572 -8.648 0.930 513 HD21 LEU 71 3HD2 LEU 71 -8.968 -11.131 -1.181 514 HD22 LEU 71 1HD2 LEU 71 -10.420 -11.702 -2.004 515 HD23 LEU 71 2HD2 LEU 71 -10.107 -12.180 -0.337 516 H THR 72 H THR 72 -14.928 -10.278 1.869 517 HA THR 72 HA THR 72 -16.934 -10.211 -0.242 518 HB THR 72 HB THR 72 -17.090 -11.203 2.616 519 HG1 THR 72 1HG THR 72 -17.114 -12.677 0.172 520 HG21 THR 72 3HG2 THR 72 -19.234 -12.239 1.867 521 HG22 THR 72 1HG2 THR 72 -19.112 -11.313 0.371 522 HG23 THR 72 2HG2 THR 72 -19.282 -10.476 1.913 523 H HIS 73 H HIS 73 -16.221 -8.742 2.881 524 HA HIS 73 HA HIS 73 -18.590 -7.273 3.186 525 HB2 HIS 73 2HB HIS 73 -16.734 -7.688 4.907 526 HB3 HIS 73 1HB HIS 73 -15.887 -6.343 4.151 527 HD1 HIS 73 1HD HIS 73 -18.010 -7.000 6.892 528 HD2 HIS 73 2HD HIS 73 -17.794 -3.950 4.078 529 HE1 HIS 73 1HE HIS 73 -19.240 -5.058 7.911 530 HE2 HIS 73 2HE HIS 73 -18.998 -3.190 6.237 531 H TYR 74 H TYR 74 -15.519 -6.484 1.610 532 HA TYR 74 HA TYR 74 -16.543 -3.896 0.769 533 HB2 TYR 74 2HB TYR 74 -13.880 -5.264 0.362 534 HB3 TYR 74 1HB TYR 74 -14.275 -3.697 -0.336 535 HD1 TYR 74 2HD TYR 74 -14.086 -5.477 2.934 536 HD2 TYR 74 1HD TYR 74 -13.867 -1.757 0.883 537 HE1 TYR 74 2HE TYR 74 -13.364 -4.380 5.014 538 HE2 TYR 74 1HE TYR 74 -13.142 -0.650 2.955 539 HH TYR 74 HH TYR 74 -13.285 -1.010 5.383 540 H ASN 75 H ASN 75 -17.265 -6.798 -0.199 541 HA ASN 75 HA ASN 75 -18.080 -7.734 -2.097 542 HB2 ASN 75 2HB ASN 75 -19.220 -5.453 -2.088 543 HB3 ASN 75 1HB ASN 75 -18.046 -4.980 -3.308 544 HD21 ASN 75 1HD2 ASN 75 -19.381 -8.198 -3.040 545 HD22 ASN 75 2HD2 ASN 75 -20.292 -8.151 -4.505 546 H ILE 76 H ILE 76 -15.133 -7.211 -1.775 547 HA ILE 76 HA ILE 76 -13.898 -6.606 -4.196 548 HB ILE 76 HB ILE 76 -12.937 -8.618 -2.160 549 HG12 ILE 76 2HG1 ILE 76 -13.520 -6.495 -1.092 550 HG13 ILE 76 1HG1 ILE 76 -11.781 -6.735 -1.097 551 HG21 ILE 76 1HG2 ILE 76 -11.659 -8.753 -4.177 552 HG22 ILE 76 2HG2 ILE 76 -10.693 -7.921 -2.957 553 HG23 ILE 76 3HG2 ILE 76 -11.483 -7.001 -4.237 554 HD11 ILE 76 3HD1 ILE 76 -11.565 -5.194 -2.972 555 HD12 ILE 76 1HD1 ILE 76 -12.371 -4.429 -1.604 556 HD13 ILE 76 2HD1 ILE 76 -13.315 -4.970 -2.993 557 H THR 77 H THR 77 -13.979 -7.572 -6.113 558 HA THR 77 HA THR 77 -14.217 -10.489 -6.248 559 HB THR 77 HB THR 77 -15.871 -10.279 -8.112 560 HG1 THR 77 1HG THR 77 -15.370 -7.662 -7.726 561 HG21 THR 77 3HG2 THR 77 -17.814 -9.856 -6.658 562 HG22 THR 77 1HG2 THR 77 -16.733 -9.204 -5.427 563 HG23 THR 77 2HG2 THR 77 -16.622 -10.902 -5.889 564 H GLY 78 H GLY 78 -11.840 -9.549 -6.644 565 HA2 GLY 78 2HA GLY 78 -10.857 -10.377 -8.977 566 HA3 GLY 78 1HA GLY 78 -11.442 -8.783 -9.429 567 H ASN 79 H ASN 79 -9.846 -9.897 -6.451 568 HA ASN 79 HA ASN 79 -8.048 -9.069 -5.319 569 HB2 ASN 79 2HB ASN 79 -6.962 -8.752 -8.124 570 HB3 ASN 79 1HB ASN 79 -6.007 -8.813 -6.648 571 HD21 ASN 79 1HD2 ASN 79 -5.734 -10.766 -5.587 572 HD22 ASN 79 2HD2 ASN 79 -6.094 -12.281 -6.334 573 H THR 80 H THR 80 -10.036 -7.234 -5.644 574 HA THR 80 HA THR 80 -9.221 -4.767 -6.774 575 HB THR 80 HB THR 80 -11.326 -5.383 -4.689 576 HG1 THR 80 1HG THR 80 -11.929 -6.358 -6.560 577 HG21 THR 80 3HG2 THR 80 -10.946 -2.895 -6.361 578 HG22 THR 80 1HG2 THR 80 -10.730 -3.017 -4.615 579 HG23 THR 80 2HG2 THR 80 -12.331 -3.231 -5.321 580 H ILE 81 H ILE 81 -8.650 -2.836 -5.751 581 HA ILE 81 HA ILE 81 -7.456 -3.067 -3.061 582 HB ILE 81 HB ILE 81 -6.540 -1.392 -5.411 583 HG12 ILE 81 2HG1 ILE 81 -5.193 -3.643 -3.904 584 HG13 ILE 81 1HG1 ILE 81 -5.853 -3.742 -5.532 585 HG21 ILE 81 1HG2 ILE 81 -5.425 -1.464 -2.610 586 HG22 ILE 81 2HG2 ILE 81 -6.368 -0.145 -3.305 587 HG23 ILE 81 3HG2 ILE 81 -4.782 -0.539 -3.966 588 HD11 ILE 81 3HD1 ILE 81 -3.500 -2.113 -4.620 589 HD12 ILE 81 1HD1 ILE 81 -4.213 -2.018 -6.232 590 HD13 ILE 81 2HD1 ILE 81 -3.486 -3.527 -5.676 591 H CYS 82 H CYS 82 -8.548 -1.865 -1.598 592 HA CYS 82 HA CYS 82 -10.156 0.347 -2.651 593 HB2 CYS 82 2HB CYS 82 -10.487 -1.195 -0.091 594 HB3 CYS 82 1HB CYS 82 -11.507 0.145 -0.597 595 HG CYS 82 HG CYS 82 -11.374 -2.127 -2.981 596 H LEU 83 H LEU 83 -9.878 2.369 -2.060 597 HA LEU 83 HA LEU 83 -7.892 2.967 0.017 598 HB2 LEU 83 2HB LEU 83 -7.084 3.931 -1.926 599 HB3 LEU 83 1HB LEU 83 -8.680 4.313 -2.531 600 HG LEU 83 HG LEU 83 -8.873 6.203 -1.063 601 HD11 LEU 83 1HD1 LEU 83 -6.135 5.678 0.045 602 HD12 LEU 83 2HD1 LEU 83 -7.592 5.071 0.832 603 HD13 LEU 83 3HD1 LEU 83 -7.367 6.807 0.617 604 HD21 LEU 83 3HD2 LEU 83 -6.895 7.541 -1.810 605 HD22 LEU 83 1HD2 LEU 83 -7.740 6.683 -3.098 606 HD23 LEU 83 2HD2 LEU 83 -6.218 6.053 -2.470 607 H PHE 84 H PHE 84 -8.979 3.280 1.886 608 HA PHE 84 HA PHE 84 -11.489 4.776 1.834 609 HB2 PHE 84 2HB PHE 84 -10.993 2.512 3.131 610 HB3 PHE 84 1HB PHE 84 -10.393 3.627 4.354 611 HD1 PHE 84 2HD PHE 84 -11.950 5.411 5.227 612 HD2 PHE 84 1HD PHE 84 -13.285 2.134 2.863 613 HE1 PHE 84 2HE PHE 84 -14.251 5.786 6.015 614 HE2 PHE 84 1HE PHE 84 -15.589 2.503 3.645 615 HZ PHE 84 HZ PHE 84 -16.074 4.330 5.224 616 H ARG 85 H ARG 85 -11.473 6.881 2.238 617 HA ARG 85 HA ARG 85 -9.186 8.021 3.693 618 HB2 ARG 85 2HB ARG 85 -11.053 9.871 2.362 619 HB3 ARG 85 1HB ARG 85 -9.296 9.846 2.367 620 HG2 ARG 85 2HG ARG 85 -9.314 8.052 0.706 621 HG3 ARG 85 1HG ARG 85 -11.087 8.111 0.684 622 HD2 ARG 85 2HD ARG 85 -9.166 10.278 -0.160 623 HD3 ARG 85 1HD ARG 85 -10.267 9.362 -1.189 624 HE ARG 85 HE ARG 85 -11.704 10.745 0.823 625 HH11 ARG 85 1HH1 ARG 85 -9.993 11.245 -2.172 626 HH12 ARG 85 2HH1 ARG 85 -10.895 12.659 -2.601 627 HH21 ARG 85 1HH2 ARG 85 -12.898 12.612 0.263 628 HH22 ARG 85 2HH2 ARG 85 -12.542 13.437 -1.219 629 H LEU 86 H LEU 86 -10.064 7.388 5.714 630 HA LEU 86 HA LEU 86 -12.275 7.562 7.041 631 HB2 LEU 86 2HB LEU 86 -10.470 7.240 8.410 632 HB3 LEU 86 1HB LEU 86 -9.589 8.606 7.760 633 HG LEU 86 HG LEU 86 -11.136 10.120 9.012 634 HD11 LEU 86 1HD1 LEU 86 -12.449 9.150 10.845 635 HD12 LEU 86 2HD1 LEU 86 -12.051 7.532 10.267 636 HD13 LEU 86 3HD1 LEU 86 -13.025 8.612 9.268 637 HD21 LEU 86 3HD2 LEU 86 -10.115 9.654 11.222 638 HD22 LEU 86 1HD2 LEU 86 -8.953 9.648 9.892 639 HD23 LEU 86 2HD2 LEU 86 -9.516 8.123 10.581 640 H VAL 87 H VAL 87 -10.495 10.618 6.549 641 HA VAL 87 HA VAL 87 -12.159 12.425 7.652 642 HB VAL 87 HB VAL 87 -11.567 13.815 5.410 643 HG11 VAL 87 1HG1 VAL 87 -9.537 14.531 6.589 644 HG12 VAL 87 2HG1 VAL 87 -9.687 13.146 7.671 645 HG13 VAL 87 3HG1 VAL 87 -10.919 14.406 7.677 646 HG21 VAL 87 3HG2 VAL 87 -9.574 11.562 5.592 647 HG22 VAL 87 1HG2 VAL 87 -9.316 13.051 4.680 648 HG23 VAL 87 2HG2 VAL 87 -10.619 11.955 4.223 649 H ASP 88 H ASP 88 -12.421 11.723 4.161 650 HA ASP 88 HA ASP 88 -15.167 12.677 4.234 651 HB2 ASP 88 2HB ASP 88 -13.268 12.050 1.979 652 HB3 ASP 88 1HB ASP 88 -14.966 12.437 1.708 653 H ASN 89 H ASN 89 -13.766 9.854 4.848 654 HA ASN 89 HA ASN 89 -14.333 7.652 4.755 655 HB2 ASN 89 2HB ASN 89 -17.113 8.820 4.578 656 HB3 ASN 89 1HB ASN 89 -16.714 7.171 5.055 657 HD21 ASN 89 1HD2 ASN 89 -16.631 10.521 5.975 658 HD22 ASN 89 2HD2 ASN 89 -16.316 10.259 7.653 659 H GLU 90 H GLU 90 -13.624 8.734 2.227 660 HA GLU 90 HA GLU 90 -15.509 7.671 0.294 661 HB2 GLU 90 2HB GLU 90 -12.735 8.765 -0.181 662 HB3 GLU 90 1HB GLU 90 -13.988 8.507 -1.390 663 HG2 GLU 90 2HG GLU 90 -14.194 10.428 0.905 664 HG3 GLU 90 1HG GLU 90 -13.710 10.865 -0.731 665 H GLN 91 H GLN 91 -15.361 5.749 -0.732 666 HA GLN 91 HA GLN 91 -13.006 4.092 -0.120 667 HB2 GLN 91 2HB GLN 91 -15.159 3.346 0.927 668 HB3 GLN 91 1HB GLN 91 -15.799 3.094 -0.691 669 HG2 GLN 91 2HG GLN 91 -13.248 1.774 0.095 670 HG3 GLN 91 1HG GLN 91 -14.782 1.112 0.662 671 HE21 GLN 91 1HE2 GLN 91 -16.243 0.278 -0.841 672 HE22 GLN 91 2HE2 GLN 91 -15.756 -0.165 -2.438 673 H LEU 92 H LEU 92 -11.804 4.502 -1.917 674 HA LEU 92 HA LEU 92 -12.954 4.349 -4.563 675 HB2 LEU 92 2HB LEU 92 -10.066 4.559 -3.706 676 HB3 LEU 92 1HB LEU 92 -10.655 4.727 -5.346 677 HG LEU 92 HG LEU 92 -10.207 6.913 -4.556 678 HD11 LEU 92 1HD1 LEU 92 -12.257 6.752 -5.831 679 HD12 LEU 92 2HD1 LEU 92 -12.399 7.997 -4.587 680 HD13 LEU 92 3HD1 LEU 92 -13.171 6.428 -4.357 681 HD21 LEU 92 3HD2 LEU 92 -10.261 6.225 -2.120 682 HD22 LEU 92 1HD2 LEU 92 -12.001 6.501 -2.184 683 HD23 LEU 92 2HD2 LEU 92 -10.885 7.829 -2.501 684 H ASN 93 H ASN 93 -13.457 2.385 -5.351 685 HA ASN 93 HA ASN 93 -11.885 0.096 -4.478 686 HB2 ASN 93 2HB ASN 93 -13.707 -1.168 -5.816 687 HB3 ASN 93 1HB ASN 93 -14.146 -0.414 -4.288 688 HD21 ASN 93 1HD2 ASN 93 -15.410 1.450 -4.299 689 HD22 ASN 93 2HD2 ASN 93 -16.323 1.927 -5.685 690 H LEU 94 H LEU 94 -10.012 0.189 -5.618 691 HA LEU 94 HA LEU 94 -9.956 0.404 -8.488 692 HB2 LEU 94 2HB LEU 94 -8.124 1.054 -6.750 693 HB3 LEU 94 1HB LEU 94 -7.723 -0.652 -6.764 694 HG LEU 94 HG LEU 94 -7.833 0.731 -9.386 695 HD11 LEU 94 1HD1 LEU 94 -6.648 2.373 -8.075 696 HD12 LEU 94 2HD1 LEU 94 -5.500 1.500 -9.090 697 HD13 LEU 94 3HD1 LEU 94 -5.625 1.120 -7.370 698 HD21 LEU 94 3HD2 LEU 94 -7.358 -1.668 -9.172 699 HD22 LEU 94 1HD2 LEU 94 -5.956 -1.291 -8.170 700 HD23 LEU 94 2HD2 LEU 94 -5.999 -0.782 -9.860 701 H GLU 95 H GLU 95 -11.497 -1.299 -8.887 702 HA GLU 95 HA GLU 95 -10.917 -3.998 -8.095 703 HB2 GLU 95 2HB GLU 95 -12.977 -3.047 -10.076 704 HB3 GLU 95 1HB GLU 95 -12.947 -4.587 -9.225 705 HG2 GLU 95 2HG GLU 95 -13.383 -3.530 -7.141 706 HG3 GLU 95 1HG GLU 95 -13.185 -1.927 -7.849 707 H ASP 96 H ASP 96 -11.732 -5.448 -10.269 708 HA ASP 96 HA ASP 96 -9.385 -6.080 -11.558 709 HB2 ASP 96 2HB ASP 96 -11.257 -7.605 -11.514 710 HB3 ASP 96 1HB ASP 96 -12.226 -6.506 -12.492 711 H GLU 97 H GLU 97 -11.884 -3.808 -12.620 712 HA GLU 97 HA GLU 97 -11.014 -3.382 -15.228 713 HB2 GLU 97 2HB GLU 97 -12.302 -1.492 -13.256 714 HB3 GLU 97 1HB GLU 97 -12.008 -1.067 -14.938 715 HG2 GLU 97 2HG GLU 97 -14.275 -1.765 -14.719 716 HG3 GLU 97 1HG GLU 97 -13.399 -3.005 -15.615 717 H ASP 98 H ASP 98 -9.465 -2.720 -12.320 718 HA ASP 98 HA ASP 98 -7.450 -1.079 -13.685 719 HB2 ASP 98 2HB ASP 98 -8.463 -0.728 -10.851 720 HB3 ASP 98 1HB ASP 98 -7.107 0.150 -11.560 721 H ILE 99 H ILE 99 -8.134 -3.855 -11.853 722 HA ILE 99 HA ILE 99 -5.446 -4.119 -10.754 723 HB ILE 99 HB ILE 99 -7.889 -5.886 -10.541 724 HG12 ILE 99 2HG1 ILE 99 -7.850 -3.717 -9.293 725 HG13 ILE 99 1HG1 ILE 99 -8.019 -5.141 -8.281 726 HG21 ILE 99 1HG2 ILE 99 -5.128 -6.286 -9.405 727 HG22 ILE 99 2HG2 ILE 99 -6.029 -7.371 -10.465 728 HG23 ILE 99 3HG2 ILE 99 -6.563 -7.115 -8.804 729 HD11 ILE 99 3HD1 ILE 99 -6.520 -3.588 -7.247 730 HD12 ILE 99 1HD1 ILE 99 -5.527 -3.514 -8.704 731 HD13 ILE 99 2HD1 ILE 99 -5.610 -5.007 -7.767 732 H GLU 100 H GLU 100 -7.422 -5.388 -13.344 733 HA GLU 100 HA GLU 100 -6.051 -7.688 -14.033 734 HB2 GLU 100 2HB GLU 100 -8.178 -6.909 -15.060 735 HB3 GLU 100 1HB GLU 100 -7.272 -5.694 -15.950 736 HG2 GLU 100 2HG GLU 100 -6.025 -7.456 -17.091 737 HG3 GLU 100 1HG GLU 100 -6.932 -8.675 -16.196 738 H SER 101 H SER 101 -5.371 -4.339 -14.944 739 HA SER 101 HA SER 101 -2.702 -5.206 -15.837 740 HB2 SER 101 2HB SER 101 -4.396 -2.988 -17.018 741 HB3 SER 101 1HB SER 101 -2.744 -3.375 -17.499 742 HG SER 101 HG SER 101 -3.631 -4.733 -18.822 743 H ILE 102 H ILE 102 -3.354 -4.453 -13.208 744 HA ILE 102 HA ILE 102 -2.887 -1.743 -12.637 745 HB ILE 102 HB ILE 102 -3.866 -3.279 -11.002 746 HG12 ILE 102 2HG1 ILE 102 -2.396 -2.587 -9.033 747 HG13 ILE 102 1HG1 ILE 102 -1.312 -1.874 -10.221 748 HG21 ILE 102 1HG2 ILE 102 -2.620 -5.283 -11.403 749 HG22 ILE 102 2HG2 ILE 102 -2.337 -4.794 -9.731 750 HG23 ILE 102 3HG2 ILE 102 -1.105 -4.495 -10.957 751 HD11 ILE 102 3HD1 ILE 102 -2.832 -0.238 -9.213 752 HD12 ILE 102 1HD1 ILE 102 -4.202 -1.131 -9.866 753 HD13 ILE 102 2HD1 ILE 102 -3.045 -0.372 -10.959 754 H ASP 103 H ASP 103 -1.080 -0.606 -12.128 755 HA ASP 103 HA ASP 103 1.518 -1.950 -12.239 756 HB2 ASP 103 2HB ASP 103 0.877 0.587 -13.757 757 HB3 ASP 103 1HB ASP 103 2.445 -0.211 -13.677 758 H ALA 104 H ALA 104 3.191 -0.826 -11.074 759 HA ALA 104 HA ALA 104 2.439 0.310 -8.688 760 HB1 ALA 104 1HB ALA 104 4.736 1.136 -8.476 761 HB2 ALA 104 2HB ALA 104 5.008 0.781 -10.183 762 HB3 ALA 104 3HB ALA 104 4.667 -0.530 -9.051 763 H THR 105 H THR 105 3.061 1.886 -11.757 764 HA THR 105 HA THR 105 2.965 4.555 -10.886 765 HB THR 105 HB THR 105 2.132 3.393 -13.553 766 HG1 THR 105 1HG THR 105 4.229 3.868 -14.162 767 HG21 THR 105 3HG2 THR 105 1.154 5.560 -13.320 768 HG22 THR 105 1HG2 THR 105 2.558 5.708 -14.378 769 HG23 THR 105 2HG2 THR 105 2.663 6.229 -12.693 770 H LYS 106 H LYS 106 0.440 2.382 -12.094 771 HA LYS 106 HA LYS 106 -1.691 4.191 -11.993 772 HB2 LYS 106 2HB LYS 106 -1.729 1.183 -11.669 773 HB3 LYS 106 1HB LYS 106 -3.135 2.187 -12.005 774 HG2 LYS 106 2HG LYS 106 -2.242 2.819 -14.141 775 HG3 LYS 106 1HG LYS 106 -0.728 1.976 -13.802 776 HD2 LYS 106 2HD LYS 106 -2.025 0.563 -15.221 777 HD3 LYS 106 1HD LYS 106 -2.068 -0.139 -13.604 778 HE2 LYS 106 2HE LYS 106 -4.278 -0.222 -14.552 779 HE3 LYS 106 1HE LYS 106 -4.260 0.950 -13.236 780 HZ1 LYS 106 3HZ LYS 106 -4.085 1.603 -16.128 781 HZ2 LYS 106 1HZ LYS 106 -4.081 2.725 -14.860 782 HZ3 LYS 106 2HZ LYS 106 -5.458 1.789 -15.158 783 H LEU 107 H LEU 107 -0.971 1.572 -9.644 784 HA LEU 107 HA LEU 107 -2.834 2.212 -7.730 785 HB2 LEU 107 2HB LEU 107 -0.689 0.482 -7.874 786 HB3 LEU 107 1HB LEU 107 -0.224 1.550 -6.569 787 HG LEU 107 HG LEU 107 -2.476 -0.411 -6.697 788 HD11 LEU 107 1HD1 LEU 107 -0.305 0.295 -4.741 789 HD12 LEU 107 2HD1 LEU 107 -0.545 -1.216 -5.621 790 HD13 LEU 107 3HD1 LEU 107 -1.650 -0.768 -4.326 791 HD21 LEU 107 3HD2 LEU 107 -3.486 0.622 -4.694 792 HD22 LEU 107 1HD2 LEU 107 -3.633 1.635 -6.131 793 HD23 LEU 107 2HD2 LEU 107 -2.425 2.016 -4.904 794 H SER 108 H SER 108 0.531 3.379 -7.847 795 HA SER 108 HA SER 108 0.359 5.161 -5.702 796 HB2 SER 108 2HB SER 108 2.105 5.343 -8.167 797 HB3 SER 108 1HB SER 108 2.365 6.222 -6.660 798 HG SER 108 HG SER 108 3.358 3.935 -7.213 799 H ARG 109 H ARG 109 -0.603 5.488 -9.041 800 HA ARG 109 HA ARG 109 -0.900 8.307 -9.031 801 HB2 ARG 109 2HB ARG 109 -0.670 6.927 -11.094 802 HB3 ARG 109 1HB ARG 109 -2.270 6.273 -10.798 803 HG2 ARG 109 2HG ARG 109 -1.850 9.223 -11.064 804 HG3 ARG 109 1HG ARG 109 -2.001 8.192 -12.488 805 HD2 ARG 109 2HD ARG 109 -4.146 7.327 -11.488 806 HD3 ARG 109 1HD ARG 109 -4.009 8.614 -10.286 807 HE ARG 109 HE ARG 109 -3.830 9.967 -12.605 808 HH11 ARG 109 1HH1 ARG 109 -6.083 7.568 -11.459 809 HH12 ARG 109 2HH1 ARG 109 -7.419 8.208 -12.358 810 HH21 ARG 109 1HH2 ARG 109 -5.584 10.815 -13.791 811 HH22 ARG 109 2HH2 ARG 109 -7.134 10.049 -13.689 812 H PHE 110 H PHE 110 -3.404 5.788 -9.208 813 HA PHE 110 HA PHE 110 -5.629 7.242 -8.674 814 HB2 PHE 110 2HB PHE 110 -4.881 4.446 -7.845 815 HB3 PHE 110 1HB PHE 110 -6.444 5.132 -7.401 816 HD1 PHE 110 2HD PHE 110 -8.085 5.703 -9.123 817 HD2 PHE 110 1HD PHE 110 -4.402 3.807 -10.099 818 HE1 PHE 110 2HE PHE 110 -8.988 5.095 -11.329 819 HE2 PHE 110 1HE PHE 110 -5.298 3.199 -12.308 820 HZ PHE 110 HZ PHE 110 -7.594 3.842 -12.925 821 H ILE 111 H ILE 111 -3.331 5.986 -6.285 822 HA ILE 111 HA ILE 111 -4.698 6.940 -4.005 823 HB ILE 111 HB ILE 111 -1.748 6.424 -4.423 824 HG12 ILE 111 2HG1 ILE 111 -3.795 4.776 -2.937 825 HG13 ILE 111 1HG1 ILE 111 -3.371 4.502 -4.620 826 HG21 ILE 111 1HG2 ILE 111 -2.044 7.987 -2.597 827 HG22 ILE 111 2HG2 ILE 111 -1.593 6.400 -1.967 828 HG23 ILE 111 3HG2 ILE 111 -3.268 6.941 -1.873 829 HD11 ILE 111 3HD1 ILE 111 -1.505 4.321 -2.272 830 HD12 ILE 111 1HD1 ILE 111 -1.056 4.075 -3.959 831 HD13 ILE 111 2HD1 ILE 111 -2.186 2.969 -3.178 832 H GLU 112 H GLU 112 -1.911 8.267 -5.773 833 HA GLU 112 HA GLU 112 -1.656 10.674 -4.428 834 HB2 GLU 112 2HB GLU 112 -0.127 9.711 -6.208 835 HB3 GLU 112 1HB GLU 112 -1.266 10.319 -7.403 836 HG2 GLU 112 2HG GLU 112 0.479 11.902 -7.244 837 HG3 GLU 112 1HG GLU 112 -0.919 12.602 -6.429 838 H ILE 113 H ILE 113 -4.131 9.579 -6.475 839 HA ILE 113 HA ILE 113 -5.084 12.220 -7.202 840 HB ILE 113 HB ILE 113 -5.585 9.466 -8.085 841 HG12 ILE 113 2HG1 ILE 113 -5.797 10.567 -10.259 842 HG13 ILE 113 1HG1 ILE 113 -5.806 12.143 -9.473 843 HG21 ILE 113 1HG2 ILE 113 -7.792 9.827 -7.285 844 HG22 ILE 113 2HG2 ILE 113 -7.813 10.011 -9.037 845 HG23 ILE 113 3HG2 ILE 113 -7.850 11.438 -8.002 846 HD11 ILE 113 3HD1 ILE 113 -3.638 11.587 -10.477 847 HD12 ILE 113 1HD1 ILE 113 -3.516 10.191 -9.408 848 HD13 ILE 113 2HD1 ILE 113 -3.530 11.819 -8.731 849 H ASN 114 H ASN 114 -6.039 9.534 -5.083 850 HA ASN 114 HA ASN 114 -8.086 11.326 -3.950 851 HB2 ASN 114 2HB ASN 114 -8.231 8.328 -4.293 852 HB3 ASN 114 1HB ASN 114 -9.380 9.277 -3.353 853 HD21 ASN 114 1HD2 ASN 114 -9.681 7.648 -5.818 854 HD22 ASN 114 2HD2 ASN 114 -10.419 8.706 -6.966 855 H SER 115 H SER 115 -5.287 10.966 -3.101 856 HA SER 115 HA SER 115 -5.451 9.523 -0.603 857 HB2 SER 115 2HB SER 115 -3.141 10.282 -0.253 858 HB3 SER 115 1HB SER 115 -3.334 9.606 -1.872 859 HG SER 115 HG SER 115 -2.971 12.271 -1.080 860 H LEU 116 H LEU 116 -7.439 11.391 -0.702 861 HA LEU 116 HA LEU 116 -6.567 13.702 0.849 862 HB2 LEU 116 2HB LEU 116 -9.320 13.033 -0.177 863 HB3 LEU 116 1HB LEU 116 -8.786 14.573 0.475 864 HG LEU 116 HG LEU 116 -7.841 13.319 -2.105 865 HD11 LEU 116 1HD1 LEU 116 -9.027 15.166 -3.172 866 HD12 LEU 116 2HD1 LEU 116 -9.598 15.717 -1.596 867 HD13 LEU 116 3HD1 LEU 116 -10.127 14.157 -2.231 868 HD21 LEU 116 3HD2 LEU 116 -7.154 15.972 -0.841 869 HD22 LEU 116 1HD2 LEU 116 -6.698 15.467 -2.468 870 HD23 LEU 116 2HD2 LEU 116 -6.063 14.605 -1.066 Start of MODEL 46 1 H GLU 1 H GLU 1 4.333 -12.071 8.992 2 HA GLU 1 HA GLU 1 5.751 -13.994 10.515 3 HB2 GLU 1 2HB GLU 1 3.281 -15.096 9.161 4 HB3 GLU 1 1HB GLU 1 4.590 -16.074 9.808 5 HG2 GLU 1 2HG GLU 1 4.132 -15.213 12.046 6 HG3 GLU 1 1HG GLU 1 2.817 -14.234 11.396 7 H VAL 2 H VAL 2 7.265 -15.058 9.282 8 HA VAL 2 HA VAL 2 8.651 -15.373 7.508 9 HB VAL 2 HB VAL 2 6.188 -15.416 5.823 10 HG11 VAL 2 1HG1 VAL 2 8.842 -16.802 5.542 11 HG12 VAL 2 2HG1 VAL 2 8.274 -15.435 4.583 12 HG13 VAL 2 3HG1 VAL 2 7.465 -16.998 4.457 13 HG21 VAL 2 3HG2 VAL 2 7.351 -17.639 7.485 14 HG22 VAL 2 1HG2 VAL 2 6.060 -17.826 6.297 15 HG23 VAL 2 2HG2 VAL 2 5.796 -16.844 7.737 16 H GLU 3 H GLU 3 9.274 -13.081 7.920 17 HA GLU 3 HA GLU 3 9.029 -11.581 5.431 18 HB2 GLU 3 2HB GLU 3 8.592 -9.469 6.654 19 HB3 GLU 3 1HB GLU 3 7.269 -10.621 6.779 20 HG2 GLU 3 2HG GLU 3 8.095 -11.278 9.008 21 HG3 GLU 3 1HG GLU 3 9.346 -10.042 8.879 22 H LYS 4 H LYS 4 10.842 -10.483 4.882 23 HA LYS 4 HA LYS 4 13.049 -9.935 4.854 24 HB2 LYS 4 2HB LYS 4 12.125 -8.373 6.642 25 HB3 LYS 4 1HB LYS 4 12.785 -9.492 7.827 26 HG2 LYS 4 2HG LYS 4 15.027 -9.155 6.826 27 HG3 LYS 4 1HG LYS 4 14.323 -7.939 5.757 28 HD2 LYS 4 2HD LYS 4 13.602 -6.661 7.749 29 HD3 LYS 4 1HD LYS 4 14.409 -7.850 8.772 30 HE2 LYS 4 2HE LYS 4 16.541 -7.321 7.646 31 HE3 LYS 4 1HE LYS 4 15.712 -6.080 6.707 32 HZ1 LYS 4 3HZ LYS 4 16.832 -5.107 8.592 33 HZ2 LYS 4 1HZ LYS 4 16.010 -6.129 9.661 34 HZ3 LYS 4 2HZ LYS 4 15.159 -4.956 8.789 35 H SER 5 H SER 5 12.673 -12.612 4.894 36 HA SER 5 HA SER 5 14.796 -13.581 6.696 37 HB2 SER 5 2HB SER 5 12.607 -14.540 7.286 38 HB3 SER 5 1HB SER 5 12.421 -15.133 5.636 39 HG SER 5 HG SER 5 14.780 -15.930 6.665 40 H SER 6 H SER 6 14.234 -12.740 3.622 41 HA SER 6 HA SER 6 15.626 -14.998 2.392 42 HB2 SER 6 2HB SER 6 15.084 -13.907 0.251 43 HB3 SER 6 1HB SER 6 13.640 -14.147 1.233 44 HG SER 6 HG SER 6 13.343 -12.086 1.078 45 H ASP 7 H ASP 7 16.533 -12.373 4.036 46 HA ASP 7 HA ASP 7 18.413 -11.111 4.194 47 HB2 ASP 7 2HB ASP 7 19.530 -13.283 4.186 48 HB3 ASP 7 1HB ASP 7 19.544 -13.290 2.425 49 H GLY 8 H GLY 8 17.584 -9.305 3.115 50 HA2 GLY 8 2HA GLY 8 18.974 -8.676 0.656 51 HA3 GLY 8 1HA GLY 8 17.226 -8.757 0.502 52 HA PRO 9 HA PRO 9 18.936 -4.716 2.683 53 HB2 PRO 9 2HB PRO 9 19.422 -3.598 -0.012 54 HB3 PRO 9 1HB PRO 9 20.396 -3.461 1.456 55 HG2 PRO 9 2HG PRO 9 21.180 -5.002 -0.582 56 HG3 PRO 9 1HG PRO 9 21.455 -5.489 1.102 57 HD2 PRO 9 2HD PRO 9 19.361 -6.423 -0.824 58 HD3 PRO 9 1HD PRO 9 20.313 -7.360 0.346 59 H GLY 10 H GLY 10 16.973 -5.516 -0.064 60 HA2 GLY 10 2HA GLY 10 15.399 -3.081 0.085 61 HA3 GLY 10 1HA GLY 10 15.128 -4.437 -1.000 62 H ALA 11 H ALA 11 13.834 -2.785 1.511 63 HA ALA 11 HA ALA 11 11.803 -4.722 1.976 64 HB1 ALA 11 1HB ALA 11 13.524 -5.712 3.400 65 HB2 ALA 11 2HB ALA 11 12.179 -5.097 4.361 66 HB3 ALA 11 3HB ALA 11 13.688 -4.187 4.271 67 H ALA 12 H ALA 12 13.291 -2.254 4.059 68 HA ALA 12 HA ALA 12 12.532 -0.291 4.906 69 HB1 ALA 12 1HB ALA 12 11.291 1.161 3.503 70 HB2 ALA 12 2HB ALA 12 10.623 -0.187 2.582 71 HB3 ALA 12 3HB ALA 12 12.338 0.207 2.449 72 H GLN 13 H GLN 13 9.439 -1.189 3.443 73 HA GLN 13 HA GLN 13 8.360 -2.026 6.001 74 HB2 GLN 13 2HB GLN 13 6.491 -0.362 5.859 75 HB3 GLN 13 1HB GLN 13 8.065 0.337 6.224 76 HG2 GLN 13 2HG GLN 13 8.290 0.939 3.826 77 HG3 GLN 13 1HG GLN 13 6.644 0.359 3.571 78 HE21 GLN 13 1HE2 GLN 13 7.688 2.017 6.466 79 HE22 GLN 13 2HE2 GLN 13 6.782 3.462 6.198 80 H GLU 14 H GLU 14 5.944 -2.553 5.740 81 HA GLU 14 HA GLU 14 5.204 -3.317 3.027 82 HB2 GLU 14 2HB GLU 14 4.875 -5.645 3.554 83 HB3 GLU 14 1HB GLU 14 6.532 -5.212 3.953 84 HG2 GLU 14 2HG GLU 14 5.810 -4.951 6.325 85 HG3 GLU 14 1HG GLU 14 4.240 -5.600 5.854 86 HA PRO 15 HA PRO 15 1.117 -2.422 4.425 87 HB2 PRO 15 2HB PRO 15 -0.407 -4.194 3.044 88 HB3 PRO 15 1HB PRO 15 0.374 -2.800 2.291 89 HG2 PRO 15 2HG PRO 15 1.230 -5.662 2.329 90 HG3 PRO 15 1HG PRO 15 1.267 -4.495 0.995 91 HD2 PRO 15 2HD PRO 15 3.462 -5.143 2.460 92 HD3 PRO 15 1HD PRO 15 3.232 -3.552 1.710 93 H THR 16 H THR 16 -0.470 -3.003 5.879 94 HA THR 16 HA THR 16 0.168 -5.099 7.703 95 HB THR 16 HB THR 16 -2.413 -3.535 7.605 96 HG1 THR 16 1HG THR 16 -1.307 -2.032 8.952 97 HG21 THR 16 3HG2 THR 16 -0.906 -4.775 9.910 98 HG22 THR 16 1HG2 THR 16 -2.336 -5.464 9.142 99 HG23 THR 16 2HG2 THR 16 -2.451 -3.930 10.001 100 H TRP 17 H TRP 17 -1.207 -6.852 8.342 101 HA TRP 17 HA TRP 17 -2.615 -8.036 6.060 102 HB2 TRP 17 2HB TRP 17 -1.496 -9.259 8.584 103 HB3 TRP 17 1HB TRP 17 -2.429 -10.158 7.392 104 HD1 TRP 17 HD TRP 17 -1.259 -9.899 4.753 105 HE1 TRP 17 1HE TRP 17 1.225 -10.250 4.174 106 HE3 TRP 17 3HE TRP 17 0.764 -9.203 9.395 107 HZ2 TRP 17 2HZ TRP 17 3.711 -10.235 5.508 108 HZ3 TRP 17 3HZ TRP 17 3.204 -9.388 9.659 109 HH2 TRP 17 HH TRP 17 4.645 -9.895 7.753 110 H LEU 18 H LEU 18 -4.587 -6.954 6.250 111 HA LEU 18 HA LEU 18 -6.098 -7.061 8.717 112 HB2 LEU 18 2HB LEU 18 -7.012 -6.200 5.974 113 HB3 LEU 18 1HB LEU 18 -7.775 -5.826 7.509 114 HG LEU 18 HG LEU 18 -5.028 -4.872 6.709 115 HD11 LEU 18 1HD1 LEU 18 -6.067 -2.695 6.359 116 HD12 LEU 18 2HD1 LEU 18 -7.654 -3.400 6.662 117 HD13 LEU 18 3HD1 LEU 18 -6.721 -3.906 5.255 118 HD21 LEU 18 3HD2 LEU 18 -5.388 -5.059 9.124 119 HD22 LEU 18 1HD2 LEU 18 -6.832 -4.056 8.981 120 HD23 LEU 18 2HD2 LEU 18 -5.248 -3.376 8.610 121 H THR 19 H THR 19 -5.931 -9.468 8.746 122 HA THR 19 HA THR 19 -7.315 -11.044 6.828 123 HB THR 19 HB THR 19 -7.041 -12.893 8.381 124 HG1 THR 19 1HG THR 19 -6.274 -12.534 10.468 125 HG21 THR 19 3HG2 THR 19 -4.605 -11.107 8.348 126 HG22 THR 19 1HG2 THR 19 -5.096 -12.203 7.056 127 HG23 THR 19 2HG2 THR 19 -4.609 -12.849 8.622 128 H ASP 20 H ASP 20 -8.515 -8.946 9.110 129 HA ASP 20 HA ASP 20 -11.098 -10.334 9.069 130 HB2 ASP 20 2HB ASP 20 -9.773 -9.124 11.498 131 HB3 ASP 20 1HB ASP 20 -11.480 -9.556 11.433 132 H VAL 21 H VAL 21 -12.914 -9.034 9.076 133 HA VAL 21 HA VAL 21 -12.724 -6.590 7.746 134 HB VAL 21 HB VAL 21 -15.076 -7.441 9.434 135 HG11 VAL 21 1HG1 VAL 21 -16.376 -6.191 7.805 136 HG12 VAL 21 2HG1 VAL 21 -14.906 -5.796 6.913 137 HG13 VAL 21 3HG1 VAL 21 -15.150 -5.160 8.541 138 HG21 VAL 21 3HG2 VAL 21 -14.464 -9.329 8.071 139 HG22 VAL 21 1HG2 VAL 21 -14.323 -8.302 6.644 140 HG23 VAL 21 2HG2 VAL 21 -15.901 -8.572 7.384 141 HA PRO 22 HA PRO 22 -13.670 -4.496 12.087 142 HB2 PRO 22 2HB PRO 22 -12.483 -5.873 14.170 143 HB3 PRO 22 1HB PRO 22 -14.206 -5.921 13.783 144 HG2 PRO 22 2HG PRO 22 -12.047 -7.859 13.065 145 HG3 PRO 22 1HG PRO 22 -13.711 -8.178 13.594 146 HD2 PRO 22 2HD PRO 22 -13.016 -8.374 11.022 147 HD3 PRO 22 1HD PRO 22 -14.597 -7.717 11.494 148 H ALA 23 H ALA 23 -10.746 -6.523 11.838 149 HA ALA 23 HA ALA 23 -8.981 -4.598 12.906 150 HB1 ALA 23 1HB ALA 23 -7.198 -5.985 12.105 151 HB2 ALA 23 2HB ALA 23 -8.270 -6.787 10.957 152 HB3 ALA 23 3HB ALA 23 -8.485 -7.041 12.690 153 H ALA 24 H ALA 24 -10.120 -5.308 9.695 154 HA ALA 24 HA ALA 24 -8.362 -3.673 8.229 155 HB1 ALA 24 1HB ALA 24 -10.088 -3.752 6.460 156 HB2 ALA 24 2HB ALA 24 -11.212 -4.477 7.611 157 HB3 ALA 24 3HB ALA 24 -9.751 -5.346 7.140 158 H MET 25 H MET 25 -11.679 -3.062 9.357 159 HA MET 25 HA MET 25 -11.816 -0.365 8.596 160 HB2 MET 25 2HB MET 25 -13.302 -1.754 10.831 161 HB3 MET 25 1HB MET 25 -13.759 -0.235 10.076 162 HG2 MET 25 2HG MET 25 -13.926 -1.518 7.903 163 HG3 MET 25 1HG MET 25 -13.785 -2.982 8.874 164 HE1 MET 25 3HE MET 25 -16.096 -3.547 7.528 165 HE2 MET 25 1HE MET 25 -16.310 -1.919 6.887 166 HE3 MET 25 2HE MET 25 -17.608 -2.685 7.803 167 H GLU 26 H GLU 26 -10.491 -1.916 11.438 168 HA GLU 26 HA GLU 26 -10.393 0.411 13.066 169 HB2 GLU 26 2HB GLU 26 -9.046 -2.268 13.157 170 HB3 GLU 26 1HB GLU 26 -8.528 -0.984 14.242 171 HG2 GLU 26 2HG GLU 26 -10.882 -0.785 15.022 172 HG3 GLU 26 1HG GLU 26 -11.267 -2.204 14.049 173 H PHE 27 H PHE 27 -7.964 -1.228 11.049 174 HA PHE 27 HA PHE 27 -5.908 0.621 11.523 175 HB2 PHE 27 2HB PHE 27 -6.424 -1.496 9.504 176 HB3 PHE 27 1HB PHE 27 -5.215 -0.279 9.098 177 HD1 PHE 27 1HD PHE 27 -6.112 -2.936 11.483 178 HD2 PHE 27 2HD PHE 27 -3.102 -0.223 10.187 179 HE1 PHE 27 1HE PHE 27 -4.457 -4.123 12.862 180 HE2 PHE 27 2HE PHE 27 -1.440 -1.406 11.562 181 HZ PHE 27 HZ PHE 27 -2.117 -3.359 12.901 182 H ILE 28 H ILE 28 -8.591 0.581 9.278 183 HA ILE 28 HA ILE 28 -7.710 2.842 7.753 184 HB ILE 28 HB ILE 28 -10.370 1.452 8.029 185 HG12 ILE 28 2HG1 ILE 28 -8.685 1.860 5.559 186 HG13 ILE 28 1HG1 ILE 28 -8.419 0.509 6.663 187 HG21 ILE 28 1HG2 ILE 28 -9.769 3.920 6.406 188 HG22 ILE 28 2HG2 ILE 28 -10.910 3.783 7.742 189 HG23 ILE 28 3HG2 ILE 28 -11.216 2.929 6.232 190 HD11 ILE 28 3HD1 ILE 28 -11.069 1.063 5.363 191 HD12 ILE 28 1HD1 ILE 28 -10.547 -0.403 6.196 192 HD13 ILE 28 2HD1 ILE 28 -9.833 0.033 4.642 193 H ALA 29 H ALA 29 -9.706 2.322 10.584 194 HA ALA 29 HA ALA 29 -10.661 5.008 10.764 195 HB1 ALA 29 1HB ALA 29 -10.614 2.804 12.831 196 HB2 ALA 29 2HB ALA 29 -11.936 3.173 11.722 197 HB3 ALA 29 3HB ALA 29 -11.490 4.329 12.978 198 H ALA 30 H ALA 30 -7.759 3.419 11.609 199 HA ALA 30 HA ALA 30 -7.020 5.393 13.628 200 HB1 ALA 30 1HB ALA 30 -5.428 3.064 12.568 201 HB2 ALA 30 2HB ALA 30 -6.479 3.013 13.982 202 HB3 ALA 30 3HB ALA 30 -5.048 4.043 13.984 203 H THR 31 H THR 31 -7.406 6.128 10.786 204 HA THR 31 HA THR 31 -5.141 7.818 10.500 205 HB THR 31 HB THR 31 -4.047 5.793 9.705 206 HG1 THR 31 1HG THR 31 -4.623 7.226 7.345 207 HG21 THR 31 3HG2 THR 31 -6.493 5.039 8.799 208 HG22 THR 31 1HG2 THR 31 -4.973 4.291 8.310 209 HG23 THR 31 2HG2 THR 31 -5.709 5.533 7.298 210 H GLU 32 H GLU 32 -5.309 9.265 8.708 211 HA GLU 32 HA GLU 32 -7.999 9.950 8.037 212 HB2 GLU 32 2HB GLU 32 -5.954 11.492 8.356 213 HB3 GLU 32 1HB GLU 32 -5.537 11.060 6.704 214 HG2 GLU 32 2HG GLU 32 -7.681 11.926 5.934 215 HG3 GLU 32 1HG GLU 32 -8.099 12.360 7.592 216 H VAL 33 H VAL 33 -5.237 8.701 6.172 217 HA VAL 33 HA VAL 33 -7.136 7.869 4.074 218 HB VAL 33 HB VAL 33 -4.236 8.557 3.609 219 HG11 VAL 33 1HG1 VAL 33 -4.933 8.627 1.240 220 HG12 VAL 33 2HG1 VAL 33 -6.541 8.072 1.722 221 HG13 VAL 33 3HG1 VAL 33 -5.135 7.031 1.969 222 HG21 VAL 33 3HG2 VAL 33 -5.356 10.571 4.296 223 HG22 VAL 33 1HG2 VAL 33 -6.696 10.245 3.197 224 HG23 VAL 33 2HG2 VAL 33 -5.099 10.628 2.552 225 H ALA 34 H ALA 34 -7.027 5.774 3.380 226 HA ALA 34 HA ALA 34 -4.813 4.104 4.308 227 HB1 ALA 34 1HB ALA 34 -6.421 3.847 6.059 228 HB2 ALA 34 2HB ALA 34 -6.426 2.372 5.086 229 HB3 ALA 34 3HB ALA 34 -7.713 3.561 4.893 230 H VAL 35 H VAL 35 -4.126 2.764 2.802 231 HA VAL 35 HA VAL 35 -5.949 2.084 0.592 232 HB VAL 35 HB VAL 35 -2.972 2.560 0.555 233 HG11 VAL 35 1HG1 VAL 35 -3.038 1.862 -1.820 234 HG12 VAL 35 2HG1 VAL 35 -4.692 1.295 -1.584 235 HG13 VAL 35 3HG1 VAL 35 -3.363 0.527 -0.714 236 HG21 VAL 35 3HG2 VAL 35 -5.330 3.740 -0.896 237 HG22 VAL 35 1HG2 VAL 35 -3.645 4.128 -1.253 238 HG23 VAL 35 2HG2 VAL 35 -4.327 4.525 0.326 239 H ILE 36 H ILE 36 -6.327 0.007 0.231 240 HA ILE 36 HA ILE 36 -4.596 -1.973 1.533 241 HB ILE 36 HB ILE 36 -7.601 -1.887 1.777 242 HG12 ILE 36 2HG1 ILE 36 -5.656 -1.816 4.056 243 HG13 ILE 36 1HG1 ILE 36 -6.005 -0.337 3.173 244 HG21 ILE 36 1HG2 ILE 36 -7.245 -3.826 3.318 245 HG22 ILE 36 2HG2 ILE 36 -5.577 -3.906 2.743 246 HG23 ILE 36 3HG2 ILE 36 -6.912 -4.174 1.621 247 HD11 ILE 36 3HD1 ILE 36 -8.394 -0.657 3.683 248 HD12 ILE 36 1HD1 ILE 36 -7.382 -0.457 5.114 249 HD13 ILE 36 2HD1 ILE 36 -7.959 -2.061 4.658 250 H GLY 37 H GLY 37 -4.253 -3.794 0.431 251 HA2 GLY 37 2HA GLY 37 -5.531 -4.022 -2.190 252 HA3 GLY 37 1HA GLY 37 -4.032 -4.794 -1.712 253 H PHE 38 H PHE 38 -7.480 -5.044 -1.814 254 HA PHE 38 HA PHE 38 -7.588 -7.459 -0.218 255 HB2 PHE 38 2HB PHE 38 -9.701 -6.129 -1.936 256 HB3 PHE 38 1HB PHE 38 -9.977 -7.494 -0.861 257 HD1 PHE 38 1HD PHE 38 -8.815 -6.951 1.595 258 HD2 PHE 38 2HD PHE 38 -10.550 -4.164 -1.106 259 HE1 PHE 38 1HE PHE 38 -9.254 -5.419 3.468 260 HE2 PHE 38 2HE PHE 38 -10.995 -2.628 0.764 261 HZ PHE 38 HZ PHE 38 -10.345 -3.252 3.051 262 H PHE 39 H PHE 39 -6.228 -8.888 -1.265 263 HA PHE 39 HA PHE 39 -6.938 -9.622 -4.024 264 HB2 PHE 39 2HB PHE 39 -4.402 -10.305 -2.545 265 HB3 PHE 39 1HB PHE 39 -4.713 -10.475 -4.270 266 HD1 PHE 39 1HD PHE 39 -5.914 -7.917 -4.972 267 HD2 PHE 39 2HD PHE 39 -2.687 -8.781 -2.338 268 HE1 PHE 39 1HE PHE 39 -4.998 -5.671 -5.363 269 HE2 PHE 39 2HE PHE 39 -1.767 -6.532 -2.722 270 HZ PHE 39 HZ PHE 39 -2.924 -4.973 -4.235 271 H GLN 40 H GLN 40 -7.266 -11.726 -4.618 272 HA GLN 40 HA GLN 40 -7.929 -13.579 -2.458 273 HB2 GLN 40 2HB GLN 40 -8.469 -13.701 -5.436 274 HB3 GLN 40 1HB GLN 40 -8.978 -14.923 -4.281 275 HG2 GLN 40 2HG GLN 40 -10.369 -13.273 -3.141 276 HG3 GLN 40 1HG GLN 40 -9.856 -12.045 -4.297 277 HE21 GLN 40 1HE2 GLN 40 -11.790 -14.882 -3.792 278 HE22 GLN 40 2HE2 GLN 40 -12.705 -14.770 -5.253 279 H ASP 41 H ASP 41 -5.358 -12.740 -4.227 280 HA ASP 41 HA ASP 41 -3.930 -15.187 -3.697 281 HB2 ASP 41 2HB ASP 41 -4.978 -15.540 -5.966 282 HB3 ASP 41 1HB ASP 41 -4.055 -14.150 -6.543 283 H LEU 42 H LEU 42 -2.089 -14.484 -2.797 284 HA LEU 42 HA LEU 42 -1.185 -11.783 -3.338 285 HB2 LEU 42 2HB LEU 42 -0.149 -13.849 -1.402 286 HB3 LEU 42 1HB LEU 42 0.429 -12.197 -1.517 287 HG LEU 42 HG LEU 42 -2.362 -13.037 -0.740 288 HD11 LEU 42 1HD1 LEU 42 -0.104 -11.880 0.890 289 HD12 LEU 42 2HD1 LEU 42 -0.737 -13.523 0.996 290 HD13 LEU 42 3HD1 LEU 42 -1.748 -12.157 1.466 291 HD21 LEU 42 3HD2 LEU 42 -2.480 -10.941 -1.893 292 HD22 LEU 42 1HD2 LEU 42 -1.092 -10.314 -1.001 293 HD23 LEU 42 2HD2 LEU 42 -2.612 -10.619 -0.164 294 H GLU 43 H GLU 43 -0.945 -13.317 -5.568 295 HA GLU 43 HA GLU 43 1.968 -13.400 -5.894 296 HB2 GLU 43 2HB GLU 43 0.058 -15.490 -6.960 297 HB3 GLU 43 1HB GLU 43 1.779 -15.410 -7.304 298 HG2 GLU 43 2HG GLU 43 2.283 -15.791 -4.967 299 HG3 GLU 43 1HG GLU 43 0.561 -15.824 -4.590 300 H ILE 44 H ILE 44 -0.560 -11.751 -6.618 301 HA ILE 44 HA ILE 44 -0.267 -11.659 -9.528 302 HB ILE 44 HB ILE 44 -2.124 -9.871 -9.244 303 HG12 ILE 44 2HG1 ILE 44 -2.849 -11.364 -6.785 304 HG13 ILE 44 1HG1 ILE 44 -1.642 -10.096 -6.634 305 HG21 ILE 44 1HG2 ILE 44 -3.811 -11.553 -9.422 306 HG22 ILE 44 2HG2 ILE 44 -2.806 -12.730 -8.577 307 HG23 ILE 44 3HG2 ILE 44 -2.351 -12.177 -10.191 308 HD11 ILE 44 3HD1 ILE 44 -3.368 -8.635 -7.859 309 HD12 ILE 44 1HD1 ILE 44 -3.623 -9.019 -6.157 310 HD13 ILE 44 2HD1 ILE 44 -4.512 -9.897 -7.401 311 HA PRO 45 HA PRO 45 2.283 -8.073 -9.874 312 HB2 PRO 45 2HB PRO 45 -0.014 -6.838 -11.343 313 HB3 PRO 45 1HB PRO 45 1.690 -6.917 -11.798 314 HG2 PRO 45 2HG PRO 45 -0.059 -8.541 -12.942 315 HG3 PRO 45 1HG PRO 45 1.538 -9.149 -12.462 316 HD2 PRO 45 2HD PRO 45 -1.118 -9.565 -11.162 317 HD3 PRO 45 1HD PRO 45 0.258 -10.677 -11.302 318 H ALA 46 H ALA 46 -1.078 -7.595 -8.957 319 HA ALA 46 HA ALA 46 -0.942 -4.954 -8.073 320 HB1 ALA 46 1HB ALA 46 -2.999 -6.365 -8.423 321 HB2 ALA 46 2HB ALA 46 -2.999 -5.343 -6.986 322 HB3 ALA 46 3HB ALA 46 -2.676 -7.071 -6.840 323 H VAL 47 H VAL 47 -0.121 -7.957 -6.389 324 HA VAL 47 HA VAL 47 0.040 -6.851 -3.816 325 HB VAL 47 HB VAL 47 1.792 -9.137 -4.668 326 HG11 VAL 47 1HG1 VAL 47 1.360 -9.914 -2.398 327 HG12 VAL 47 2HG1 VAL 47 0.319 -8.520 -2.110 328 HG13 VAL 47 3HG1 VAL 47 2.045 -8.290 -2.393 329 HG21 VAL 47 3HG2 VAL 47 -1.126 -9.347 -3.955 330 HG22 VAL 47 1HG2 VAL 47 -0.041 -10.658 -4.417 331 HG23 VAL 47 2HG2 VAL 47 -0.501 -9.434 -5.601 332 HA PRO 48 HA PRO 48 4.849 -6.291 -4.533 333 HB2 PRO 48 2HB PRO 48 4.906 -6.084 -7.496 334 HB3 PRO 48 1HB PRO 48 6.070 -6.836 -6.399 335 HG2 PRO 48 2HG PRO 48 4.452 -8.328 -7.894 336 HG3 PRO 48 1HG PRO 48 4.840 -8.795 -6.227 337 HD2 PRO 48 2HD PRO 48 2.363 -7.522 -7.311 338 HD3 PRO 48 1HD PRO 48 2.531 -8.786 -6.085 339 H ILE 49 H ILE 49 2.659 -5.002 -6.989 340 HA ILE 49 HA ILE 49 3.743 -2.429 -7.183 341 HB ILE 49 HB ILE 49 1.087 -3.618 -7.816 342 HG12 ILE 49 2HG1 ILE 49 2.793 -2.068 -9.697 343 HG13 ILE 49 1HG1 ILE 49 3.336 -3.662 -9.188 344 HG21 ILE 49 1HG2 ILE 49 0.186 -1.607 -7.253 345 HG22 ILE 49 2HG2 ILE 49 0.661 -1.282 -8.919 346 HG23 ILE 49 3HG2 ILE 49 1.675 -0.725 -7.587 347 HD11 ILE 49 3HD1 ILE 49 2.003 -3.502 -11.342 348 HD12 ILE 49 1HD1 ILE 49 0.598 -3.211 -10.316 349 HD13 ILE 49 2HD1 ILE 49 1.501 -4.721 -10.170 350 H LEU 50 H LEU 50 1.381 -3.804 -4.952 351 HA LEU 50 HA LEU 50 0.718 -1.290 -3.750 352 HB2 LEU 50 2HB LEU 50 -0.889 -3.072 -3.622 353 HB3 LEU 50 1HB LEU 50 0.273 -4.135 -2.858 354 HG LEU 50 HG LEU 50 0.292 -2.565 -0.895 355 HD11 LEU 50 1HD1 LEU 50 -1.526 -0.986 -0.650 356 HD12 LEU 50 2HD1 LEU 50 -2.119 -1.387 -2.263 357 HD13 LEU 50 3HD1 LEU 50 -0.558 -0.590 -2.069 358 HD21 LEU 50 3HD2 LEU 50 -1.612 -3.510 0.102 359 HD22 LEU 50 1HD2 LEU 50 -1.089 -4.690 -1.101 360 HD23 LEU 50 2HD2 LEU 50 -2.466 -3.635 -1.440 361 H HIS 51 H HIS 51 2.688 -4.075 -2.708 362 HA HIS 51 HA HIS 51 3.676 -3.007 -0.348 363 HB2 HIS 51 2HB HIS 51 4.926 -4.906 -2.331 364 HB3 HIS 51 1HB HIS 51 5.716 -4.473 -0.819 365 HD1 HIS 51 1HD HIS 51 5.447 -6.350 0.750 366 HD2 HIS 51 2HD HIS 51 1.997 -5.709 -1.474 367 HE1 HIS 51 1HE HIS 51 3.774 -8.020 1.609 368 HE2 HIS 51 2HE HIS 51 1.706 -7.640 0.220 369 H SER 52 H SER 52 4.357 -2.188 -3.618 370 HA SER 52 HA SER 52 6.826 -0.796 -3.033 371 HB2 SER 52 2HB SER 52 5.121 -0.909 -5.535 372 HB3 SER 52 1HB SER 52 6.664 -0.063 -5.421 373 HG SER 52 HG SER 52 7.695 -1.914 -5.458 374 H MET 53 H MET 53 3.492 0.089 -3.926 375 HA MET 53 HA MET 53 3.825 2.859 -3.867 376 HB2 MET 53 2HB MET 53 1.521 3.029 -3.972 377 HB3 MET 53 1HB MET 53 1.779 1.409 -4.596 378 HG2 MET 53 2HG MET 53 0.006 1.141 -3.148 379 HG3 MET 53 1HG MET 53 1.388 0.644 -2.178 380 HE1 MET 53 3HE MET 53 -0.623 2.254 0.665 381 HE2 MET 53 1HE MET 53 0.384 0.900 0.154 382 HE3 MET 53 2HE MET 53 -1.180 1.172 -0.611 383 H VAL 54 H VAL 54 3.585 0.516 -1.352 384 HA VAL 54 HA VAL 54 2.762 1.966 0.837 385 HB VAL 54 HB VAL 54 4.858 -0.186 0.662 386 HG11 VAL 54 1HG1 VAL 54 4.580 -0.471 3.080 387 HG12 VAL 54 2HG1 VAL 54 3.552 0.959 3.119 388 HG13 VAL 54 3HG1 VAL 54 5.250 1.110 2.675 389 HG21 VAL 54 3HG2 VAL 54 2.790 -1.092 0.041 390 HG22 VAL 54 1HG2 VAL 54 1.921 -0.166 1.263 391 HG23 VAL 54 2HG2 VAL 54 2.964 -1.502 1.745 392 H GLN 55 H GLN 55 6.095 1.625 -0.372 393 HA GLN 55 HA GLN 55 7.152 3.478 1.524 394 HB2 GLN 55 2HB GLN 55 8.480 2.672 -1.041 395 HB3 GLN 55 1HB GLN 55 9.220 3.141 0.484 396 HG2 GLN 55 2HG GLN 55 8.379 1.067 1.502 397 HG3 GLN 55 1HG GLN 55 7.717 0.593 -0.062 398 HE21 GLN 55 1HE2 GLN 55 8.979 -1.242 -0.206 399 HE22 GLN 55 2HE2 GLN 55 10.681 -1.181 -0.495 400 H LYS 56 H LYS 56 5.411 3.816 -1.324 401 HA LYS 56 HA LYS 56 6.586 6.383 -2.054 402 HB2 LYS 56 2HB LYS 56 4.272 4.881 -3.292 403 HB3 LYS 56 1HB LYS 56 5.056 6.307 -3.957 404 HG2 LYS 56 2HG LYS 56 7.113 5.069 -4.268 405 HG3 LYS 56 1HG LYS 56 6.389 3.642 -3.523 406 HD2 LYS 56 2HD LYS 56 6.247 3.280 -5.846 407 HD3 LYS 56 1HD LYS 56 4.627 3.773 -5.349 408 HE2 LYS 56 2HE LYS 56 5.083 4.980 -7.322 409 HE3 LYS 56 1HE LYS 56 5.289 6.125 -5.996 410 HZ1 LYS 56 3HZ LYS 56 7.071 6.301 -7.622 411 HZ2 LYS 56 1HZ LYS 56 7.489 4.679 -7.374 412 HZ3 LYS 56 2HZ LYS 56 7.674 5.802 -6.122 413 H PHE 57 H PHE 57 4.072 5.083 -0.175 414 HA PHE 57 HA PHE 57 2.990 7.768 0.268 415 HB2 PHE 57 2HB PHE 57 1.454 5.304 -0.481 416 HB3 PHE 57 1HB PHE 57 0.695 6.587 0.462 417 HD1 PHE 57 2HD PHE 57 0.378 8.816 -0.506 418 HD2 PHE 57 1HD PHE 57 1.937 5.587 -2.797 419 HE1 PHE 57 2HE PHE 57 -0.078 10.068 -2.574 420 HE2 PHE 57 1HE PHE 57 1.488 6.835 -4.867 421 HZ PHE 57 HZ PHE 57 0.478 9.077 -4.757 422 HA PRO 58 HA PRO 58 4.170 5.351 4.184 423 HB2 PRO 58 2HB PRO 58 5.204 7.683 5.311 424 HB3 PRO 58 1HB PRO 58 6.154 6.404 4.548 425 HG2 PRO 58 2HG PRO 58 5.195 8.994 3.404 426 HG3 PRO 58 1HG PRO 58 6.752 8.172 3.173 427 HD2 PRO 58 2HD PRO 58 4.883 8.083 1.278 428 HD3 PRO 58 1HD PRO 58 5.852 6.644 1.653 429 H GLY 59 H GLY 59 2.962 8.679 3.747 430 HA2 GLY 59 2HA GLY 59 1.603 8.938 6.168 431 HA3 GLY 59 1HA GLY 59 1.166 9.767 4.680 432 H VAL 60 H VAL 60 0.586 7.500 3.124 433 HA VAL 60 HA VAL 60 -2.105 6.996 3.878 434 HB VAL 60 HB VAL 60 -0.303 5.916 1.721 435 HG11 VAL 60 1HG1 VAL 60 -3.161 5.072 2.208 436 HG12 VAL 60 2HG1 VAL 60 -1.737 4.050 2.407 437 HG13 VAL 60 3HG1 VAL 60 -2.178 4.646 0.807 438 HG21 VAL 60 3HG2 VAL 60 -2.815 7.585 1.706 439 HG22 VAL 60 1HG2 VAL 60 -1.964 7.026 0.265 440 HG23 VAL 60 2HG2 VAL 60 -1.171 8.138 1.380 441 H SER 61 H SER 61 -3.056 5.104 4.680 442 HA SER 61 HA SER 61 -1.299 3.477 6.292 443 HB2 SER 61 2HB SER 61 -3.412 4.191 7.250 444 HB3 SER 61 1HB SER 61 -4.299 3.407 5.946 445 HG SER 61 HG SER 61 -3.352 1.409 6.695 446 H PHE 62 H PHE 62 -0.128 2.117 5.080 447 HA PHE 62 HA PHE 62 -1.090 0.712 2.822 448 HB2 PHE 62 2HB PHE 62 1.011 -0.759 3.373 449 HB3 PHE 62 1HB PHE 62 1.216 0.903 2.826 450 HD1 PHE 62 1HD PHE 62 1.360 -1.329 5.746 451 HD2 PHE 62 2HD PHE 62 2.107 2.590 4.263 452 HE1 PHE 62 1HE PHE 62 2.659 -0.813 7.769 453 HE2 PHE 62 2HE PHE 62 3.408 3.112 6.283 454 HZ PHE 62 HZ PHE 62 3.686 1.408 8.041 455 H GLY 63 H GLY 63 -2.372 -0.988 2.729 456 HA2 GLY 63 2HA GLY 63 -2.304 -2.953 4.903 457 HA3 GLY 63 1HA GLY 63 -3.849 -2.233 4.473 458 H ILE 64 H ILE 64 -3.464 -4.949 4.361 459 HA ILE 64 HA ILE 64 -4.146 -5.477 1.632 460 HB ILE 64 HB ILE 64 -1.514 -5.524 1.931 461 HG12 ILE 64 2HG1 ILE 64 -3.029 -7.643 0.403 462 HG13 ILE 64 1HG1 ILE 64 -2.741 -5.996 -0.143 463 HG21 ILE 64 1HG2 ILE 64 -0.663 -7.774 2.352 464 HG22 ILE 64 2HG2 ILE 64 -2.291 -8.313 2.756 465 HG23 ILE 64 3HG2 ILE 64 -1.484 -7.118 3.767 466 HD11 ILE 64 3HD1 ILE 64 -0.641 -8.091 0.367 467 HD12 ILE 64 1HD1 ILE 64 -0.331 -6.433 -0.146 468 HD13 ILE 64 2HD1 ILE 64 -1.208 -7.536 -1.208 469 H SER 65 H SER 65 -5.305 -7.389 1.431 470 HA SER 65 HA SER 65 -5.408 -9.200 3.709 471 HB2 SER 65 2HB SER 65 -7.063 -7.518 4.332 472 HB3 SER 65 1HB SER 65 -7.843 -7.676 2.759 473 HG SER 65 HG SER 65 -8.492 -9.729 3.295 474 H THR 66 H THR 66 -6.631 -11.144 3.304 475 HA THR 66 HA THR 66 -7.239 -11.688 0.493 476 HB THR 66 HB THR 66 -6.085 -13.879 0.629 477 HG1 THR 66 1HG THR 66 -6.035 -13.587 3.118 478 HG21 THR 66 3HG2 THR 66 -5.003 -11.893 -0.387 479 HG22 THR 66 1HG2 THR 66 -3.854 -13.047 0.289 480 HG23 THR 66 2HG2 THR 66 -4.233 -11.563 1.164 481 H ASP 67 H ASP 67 -8.119 -11.808 3.676 482 HA ASP 67 HA ASP 67 -9.459 -14.280 3.876 483 HB2 ASP 67 2HB ASP 67 -8.908 -12.843 5.819 484 HB3 ASP 67 1HB ASP 67 -10.108 -11.675 5.275 485 H SER 68 H SER 68 -11.516 -14.899 3.410 486 HA SER 68 HA SER 68 -12.815 -13.671 1.241 487 HB2 SER 68 2HB SER 68 -13.839 -15.755 3.182 488 HB3 SER 68 1HB SER 68 -14.615 -15.327 1.657 489 HG SER 68 HG SER 68 -13.142 -17.201 1.649 490 H GLU 69 H GLU 69 -13.683 -13.771 4.701 491 HA GLU 69 HA GLU 69 -16.111 -12.468 4.588 492 HB2 GLU 69 2HB GLU 69 -14.025 -12.158 6.740 493 HB3 GLU 69 1HB GLU 69 -15.737 -11.793 6.896 494 HG2 GLU 69 2HG GLU 69 -16.247 -14.169 6.456 495 HG3 GLU 69 1HG GLU 69 -14.515 -14.502 6.430 496 H VAL 70 H VAL 70 -12.883 -11.005 4.757 497 HA VAL 70 HA VAL 70 -13.880 -8.346 4.838 498 HB VAL 70 HB VAL 70 -11.148 -9.427 4.146 499 HG11 VAL 70 1HG1 VAL 70 -12.028 -6.560 4.431 500 HG12 VAL 70 2HG1 VAL 70 -11.372 -7.334 2.986 501 HG13 VAL 70 3HG1 VAL 70 -10.347 -7.094 4.402 502 HG21 VAL 70 3HG2 VAL 70 -12.373 -8.227 6.605 503 HG22 VAL 70 1HG2 VAL 70 -10.627 -8.265 6.364 504 HG23 VAL 70 2HG2 VAL 70 -11.542 -9.772 6.428 505 H LEU 71 H LEU 71 -12.364 -10.253 2.236 506 HA LEU 71 HA LEU 71 -12.689 -8.363 0.201 507 HB2 LEU 71 2HB LEU 71 -12.322 -11.324 0.268 508 HB3 LEU 71 1HB LEU 71 -12.753 -10.561 -1.251 509 HG LEU 71 HG LEU 71 -10.754 -9.288 -1.301 510 HD11 LEU 71 1HD1 LEU 71 -10.617 -8.569 0.978 511 HD12 LEU 71 2HD1 LEU 71 -9.103 -9.364 0.546 512 HD13 LEU 71 3HD1 LEU 71 -10.298 -10.213 1.527 513 HD21 LEU 71 3HD2 LEU 71 -9.016 -11.018 -1.198 514 HD22 LEU 71 1HD2 LEU 71 -10.485 -11.604 -1.981 515 HD23 LEU 71 2HD2 LEU 71 -10.126 -12.068 -0.316 516 H THR 72 H THR 72 -14.980 -10.212 1.866 517 HA THR 72 HA THR 72 -16.979 -10.105 -0.251 518 HB THR 72 HB THR 72 -17.117 -11.167 2.579 519 HG1 THR 72 1HG THR 72 -17.572 -13.054 0.818 520 HG21 THR 72 3HG2 THR 72 -19.316 -10.434 2.022 521 HG22 THR 72 1HG2 THR 72 -19.288 -12.180 1.774 522 HG23 THR 72 2HG2 THR 72 -19.193 -11.090 0.389 523 H HIS 73 H HIS 73 -16.274 -8.697 2.897 524 HA HIS 73 HA HIS 73 -18.639 -7.231 3.230 525 HB2 HIS 73 2HB HIS 73 -16.756 -7.685 4.925 526 HB3 HIS 73 1HB HIS 73 -15.943 -6.301 4.203 527 HD1 HIS 73 1HD HIS 73 -18.208 -7.141 6.846 528 HD2 HIS 73 2HD HIS 73 -17.717 -3.884 4.313 529 HE1 HIS 73 1HE HIS 73 -19.423 -5.240 7.955 530 HE2 HIS 73 2HE HIS 73 -19.166 -3.295 6.374 531 H TYR 74 H TYR 74 -15.598 -6.469 1.609 532 HA TYR 74 HA TYR 74 -16.611 -3.851 0.821 533 HB2 TYR 74 2HB TYR 74 -13.942 -5.207 0.446 534 HB3 TYR 74 1HB TYR 74 -14.330 -3.645 -0.265 535 HD1 TYR 74 2HD TYR 74 -13.695 -5.448 2.871 536 HD2 TYR 74 1HD TYR 74 -14.463 -1.659 1.095 537 HE1 TYR 74 2HE TYR 74 -13.025 -4.340 4.962 538 HE2 TYR 74 1HE TYR 74 -13.793 -0.539 3.180 539 HH TYR 74 HH TYR 74 -12.198 -2.162 5.707 540 H ASN 75 H ASN 75 -17.400 -6.696 -0.195 541 HA ASN 75 HA ASN 75 -18.156 -7.624 -2.126 542 HB2 ASN 75 2HB ASN 75 -18.181 -4.717 -2.941 543 HB3 ASN 75 1HB ASN 75 -18.907 -6.012 -3.890 544 HD21 ASN 75 1HD2 ASN 75 -20.965 -5.196 -3.716 545 HD22 ASN 75 2HD2 ASN 75 -21.863 -5.224 -2.240 546 H ILE 76 H ILE 76 -15.226 -7.188 -1.754 547 HA ILE 76 HA ILE 76 -13.972 -6.568 -4.188 548 HB ILE 76 HB ILE 76 -12.992 -8.519 -2.100 549 HG12 ILE 76 2HG1 ILE 76 -13.589 -6.419 -1.038 550 HG13 ILE 76 1HG1 ILE 76 -11.840 -6.574 -1.103 551 HG21 ILE 76 1HG2 ILE 76 -11.680 -8.688 -4.078 552 HG22 ILE 76 2HG2 ILE 76 -10.750 -7.764 -2.898 553 HG23 ILE 76 3HG2 ILE 76 -11.569 -6.937 -4.222 554 HD11 ILE 76 3HD1 ILE 76 -12.631 -4.306 -1.619 555 HD12 ILE 76 1HD1 ILE 76 -13.490 -4.944 -3.020 556 HD13 ILE 76 2HD1 ILE 76 -11.730 -5.033 -2.950 557 H THR 77 H THR 77 -14.055 -7.595 -6.081 558 HA THR 77 HA THR 77 -14.190 -10.519 -6.121 559 HB THR 77 HB THR 77 -15.877 -10.470 -7.941 560 HG1 THR 77 1HG THR 77 -16.614 -8.617 -8.680 561 HG21 THR 77 3HG2 THR 77 -16.779 -9.191 -5.360 562 HG22 THR 77 1HG2 THR 77 -16.580 -10.920 -5.648 563 HG23 THR 77 2HG2 THR 77 -17.819 -10.018 -6.521 564 H GLY 78 H GLY 78 -11.857 -9.463 -6.566 565 HA2 GLY 78 2HA GLY 78 -10.903 -10.325 -8.930 566 HA3 GLY 78 1HA GLY 78 -11.480 -8.716 -9.343 567 H ASN 79 H ASN 79 -9.872 -9.898 -6.402 568 HA ASN 79 HA ASN 79 -8.082 -9.075 -5.254 569 HB2 ASN 79 2HB ASN 79 -6.915 -8.711 -8.016 570 HB3 ASN 79 1HB ASN 79 -6.032 -8.967 -6.516 571 HD21 ASN 79 1HD2 ASN 79 -5.906 -10.498 -8.953 572 HD22 ASN 79 2HD2 ASN 79 -6.368 -12.112 -8.551 573 H THR 80 H THR 80 -10.033 -7.217 -5.593 574 HA THR 80 HA THR 80 -9.198 -4.763 -6.736 575 HB THR 80 HB THR 80 -11.290 -5.344 -4.626 576 HG1 THR 80 1HG THR 80 -11.307 -6.145 -7.024 577 HG21 THR 80 3HG2 THR 80 -10.952 -2.889 -6.350 578 HG22 THR 80 1HG2 THR 80 -10.655 -2.977 -4.615 579 HG23 THR 80 2HG2 THR 80 -12.287 -3.202 -5.242 580 H ILE 81 H ILE 81 -8.579 -2.848 -5.742 581 HA ILE 81 HA ILE 81 -7.392 -3.076 -3.051 582 HB ILE 81 HB ILE 81 -6.470 -1.412 -5.407 583 HG12 ILE 81 2HG1 ILE 81 -5.117 -3.640 -3.872 584 HG13 ILE 81 1HG1 ILE 81 -5.815 -3.785 -5.481 585 HG21 ILE 81 1HG2 ILE 81 -6.284 -0.134 -3.334 586 HG22 ILE 81 2HG2 ILE 81 -4.693 -0.586 -3.945 587 HG23 ILE 81 3HG2 ILE 81 -5.397 -1.463 -2.586 588 HD11 ILE 81 3HD1 ILE 81 -3.454 -2.107 -4.682 589 HD12 ILE 81 1HD1 ILE 81 -4.186 -2.120 -6.289 590 HD13 ILE 81 2HD1 ILE 81 -3.436 -3.584 -5.645 591 H CYS 82 H CYS 82 -8.542 -1.920 -1.608 592 HA CYS 82 HA CYS 82 -10.131 0.316 -2.636 593 HB2 CYS 82 2HB CYS 82 -10.430 -1.304 -0.119 594 HB3 CYS 82 1HB CYS 82 -11.431 0.086 -0.522 595 HG CYS 82 HG CYS 82 -12.612 -2.568 -0.971 596 H LEU 83 H LEU 83 -9.770 2.329 -2.092 597 HA LEU 83 HA LEU 83 -7.837 2.915 0.033 598 HB2 LEU 83 2HB LEU 83 -6.962 3.875 -1.870 599 HB3 LEU 83 1HB LEU 83 -8.533 4.219 -2.555 600 HG LEU 83 HG LEU 83 -8.815 6.136 -1.122 601 HD11 LEU 83 1HD1 LEU 83 -6.092 5.667 0.052 602 HD12 LEU 83 2HD1 LEU 83 -7.568 5.103 0.833 603 HD13 LEU 83 3HD1 LEU 83 -7.324 6.827 0.552 604 HD21 LEU 83 3HD2 LEU 83 -7.016 7.546 -1.948 605 HD22 LEU 83 1HD2 LEU 83 -7.573 6.439 -3.201 606 HD23 LEU 83 2HD2 LEU 83 -6.063 6.117 -2.348 607 H PHE 84 H PHE 84 -9.032 3.160 1.863 608 HA PHE 84 HA PHE 84 -11.499 4.719 1.747 609 HB2 PHE 84 2HB PHE 84 -11.185 2.456 3.010 610 HB3 PHE 84 1HB PHE 84 -10.428 3.454 4.248 611 HD1 PHE 84 1HD PHE 84 -11.789 5.412 5.178 612 HD2 PHE 84 2HD PHE 84 -13.490 2.234 2.915 613 HE1 PHE 84 1HE PHE 84 -14.009 5.963 6.081 614 HE2 PHE 84 2HE PHE 84 -15.713 2.779 3.814 615 HZ PHE 84 HZ PHE 84 -15.976 4.645 5.401 616 H ARG 85 H ARG 85 -11.529 6.804 2.257 617 HA ARG 85 HA ARG 85 -9.216 7.913 3.700 618 HB2 ARG 85 2HB ARG 85 -11.091 9.780 2.393 619 HB3 ARG 85 1HB ARG 85 -9.332 9.769 2.415 620 HG2 ARG 85 2HG ARG 85 -9.321 7.991 0.735 621 HG3 ARG 85 1HG ARG 85 -11.092 8.039 0.692 622 HD2 ARG 85 2HD ARG 85 -9.172 10.218 -0.112 623 HD3 ARG 85 1HD ARG 85 -10.273 9.316 -1.154 624 HE ARG 85 HE ARG 85 -11.666 10.714 0.901 625 HH11 ARG 85 1HH1 ARG 85 -10.113 11.099 -2.193 626 HH12 ARG 85 2HH1 ARG 85 -11.045 12.491 -2.634 627 HH21 ARG 85 1HH2 ARG 85 -12.899 12.549 0.331 628 HH22 ARG 85 2HH2 ARG 85 -12.630 13.315 -1.200 629 H LEU 86 H LEU 86 -9.946 7.425 5.760 630 HA LEU 86 HA LEU 86 -12.164 7.518 7.123 631 HB2 LEU 86 2HB LEU 86 -10.285 7.261 8.422 632 HB3 LEU 86 1HB LEU 86 -9.514 8.700 7.785 633 HG LEU 86 HG LEU 86 -11.104 10.087 9.099 634 HD11 LEU 86 1HD1 LEU 86 -12.918 8.450 9.281 635 HD12 LEU 86 2HD1 LEU 86 -12.417 9.047 10.863 636 HD13 LEU 86 3HD1 LEU 86 -11.904 7.449 10.322 637 HD21 LEU 86 3HD2 LEU 86 -10.071 9.611 11.291 638 HD22 LEU 86 1HD2 LEU 86 -8.902 9.661 9.970 639 HD23 LEU 86 2HD2 LEU 86 -9.426 8.109 10.630 640 H VAL 87 H VAL 87 -10.466 10.620 6.636 641 HA VAL 87 HA VAL 87 -12.143 12.401 7.720 642 HB VAL 87 HB VAL 87 -11.661 13.748 5.413 643 HG11 VAL 87 1HG1 VAL 87 -9.728 13.216 7.666 644 HG12 VAL 87 2HG1 VAL 87 -10.988 14.450 7.634 645 HG13 VAL 87 3HG1 VAL 87 -9.620 14.556 6.527 646 HG21 VAL 87 3HG2 VAL 87 -10.675 11.843 4.296 647 HG22 VAL 87 1HG2 VAL 87 -9.559 11.597 5.641 648 HG23 VAL 87 2HG2 VAL 87 -9.425 13.041 4.634 649 H ASP 88 H ASP 88 -12.468 12.058 4.211 650 HA ASP 88 HA ASP 88 -15.233 12.794 4.359 651 HB2 ASP 88 2HB ASP 88 -13.375 12.109 2.092 652 HB3 ASP 88 1HB ASP 88 -15.093 12.411 1.828 653 H ASN 89 H ASN 89 -13.786 10.014 5.045 654 HA ASN 89 HA ASN 89 -14.347 7.814 5.101 655 HB2 ASN 89 2HB ASN 89 -17.144 8.931 4.875 656 HB3 ASN 89 1HB ASN 89 -16.716 7.323 5.451 657 HD21 ASN 89 1HD2 ASN 89 -16.727 10.718 6.167 658 HD22 ASN 89 2HD2 ASN 89 -16.381 10.572 7.853 659 H GLU 90 H GLU 90 -13.765 8.892 2.473 660 HA GLU 90 HA GLU 90 -15.617 7.739 0.609 661 HB2 GLU 90 2HB GLU 90 -12.775 8.656 0.157 662 HB3 GLU 90 1HB GLU 90 -13.963 8.312 -1.093 663 HG2 GLU 90 2HG GLU 90 -14.204 10.470 0.980 664 HG3 GLU 90 1HG GLU 90 -13.667 10.707 -0.679 665 H GLN 91 H GLN 91 -14.989 6.069 -0.956 666 HA GLN 91 HA GLN 91 -12.965 4.185 -0.037 667 HB2 GLN 91 2HB GLN 91 -15.121 3.563 1.071 668 HB3 GLN 91 1HB GLN 91 -15.821 3.323 -0.522 669 HG2 GLN 91 2HG GLN 91 -13.321 1.869 0.119 670 HG3 GLN 91 1HG GLN 91 -14.811 1.333 0.894 671 HE21 GLN 91 1HE2 GLN 91 -13.074 1.637 -2.088 672 HE22 GLN 91 2HE2 GLN 91 -14.127 0.655 -3.042 673 H LEU 92 H LEU 92 -11.790 4.532 -1.876 674 HA LEU 92 HA LEU 92 -13.009 4.332 -4.487 675 HB2 LEU 92 2HB LEU 92 -10.097 4.535 -3.717 676 HB3 LEU 92 1HB LEU 92 -10.735 4.690 -5.338 677 HG LEU 92 HG LEU 92 -10.257 6.882 -4.606 678 HD11 LEU 92 1HD1 LEU 92 -12.443 7.980 -4.523 679 HD12 LEU 92 2HD1 LEU 92 -13.209 6.417 -4.242 680 HD13 LEU 92 3HD1 LEU 92 -12.373 6.729 -5.763 681 HD21 LEU 92 3HD2 LEU 92 -10.182 6.218 -2.164 682 HD22 LEU 92 1HD2 LEU 92 -11.919 6.513 -2.136 683 HD23 LEU 92 2HD2 LEU 92 -10.809 7.824 -2.529 684 H ASN 93 H ASN 93 -13.376 2.426 -5.452 685 HA ASN 93 HA ASN 93 -11.900 0.097 -4.467 686 HB2 ASN 93 2HB ASN 93 -13.716 -1.139 -5.854 687 HB3 ASN 93 1HB ASN 93 -14.168 -0.395 -4.325 688 HD21 ASN 93 1HD2 ASN 93 -14.423 -0.252 -7.775 689 HD22 ASN 93 2HD2 ASN 93 -15.690 0.921 -7.841 690 H LEU 94 H LEU 94 -10.001 0.166 -5.582 691 HA LEU 94 HA LEU 94 -9.918 0.388 -8.454 692 HB2 LEU 94 2HB LEU 94 -8.101 1.044 -6.699 693 HB3 LEU 94 1HB LEU 94 -7.687 -0.659 -6.726 694 HG LEU 94 HG LEU 94 -7.814 0.708 -9.348 695 HD11 LEU 94 1HD1 LEU 94 -5.511 1.565 -9.050 696 HD12 LEU 94 2HD1 LEU 94 -5.627 1.197 -7.329 697 HD13 LEU 94 3HD1 LEU 94 -6.692 2.406 -8.046 698 HD21 LEU 94 3HD2 LEU 94 -6.012 -0.780 -9.845 699 HD22 LEU 94 1HD2 LEU 94 -7.255 -1.697 -8.997 700 HD23 LEU 94 2HD2 LEU 94 -5.802 -1.180 -8.140 701 H GLU 95 H GLU 95 -11.444 -1.316 -8.878 702 HA GLU 95 HA GLU 95 -10.865 -4.017 -8.080 703 HB2 GLU 95 2HB GLU 95 -12.920 -3.070 -10.069 704 HB3 GLU 95 1HB GLU 95 -12.891 -4.606 -9.213 705 HG2 GLU 95 2HG GLU 95 -13.338 -3.542 -7.133 706 HG3 GLU 95 1HG GLU 95 -13.151 -1.942 -7.852 707 H ASP 96 H ASP 96 -11.679 -5.455 -10.272 708 HA ASP 96 HA ASP 96 -9.331 -6.073 -11.564 709 HB2 ASP 96 2HB ASP 96 -11.198 -7.604 -11.550 710 HB3 ASP 96 1HB ASP 96 -12.171 -6.489 -12.505 711 H GLU 97 H GLU 97 -11.814 -3.773 -12.577 712 HA GLU 97 HA GLU 97 -10.976 -3.311 -15.187 713 HB2 GLU 97 2HB GLU 97 -13.044 -2.387 -14.138 714 HB3 GLU 97 1HB GLU 97 -12.043 -1.241 -13.258 715 HG2 GLU 97 2HG GLU 97 -13.021 -0.173 -15.178 716 HG3 GLU 97 1HG GLU 97 -11.276 -0.297 -15.390 717 H ASP 98 H ASP 98 -9.395 -2.686 -12.275 718 HA ASP 98 HA ASP 98 -7.363 -1.074 -13.651 719 HB2 ASP 98 2HB ASP 98 -8.386 -0.710 -10.824 720 HB3 ASP 98 1HB ASP 98 -6.987 0.126 -11.500 721 H ILE 99 H ILE 99 -8.075 -3.836 -11.806 722 HA ILE 99 HA ILE 99 -5.396 -4.130 -10.708 723 HB ILE 99 HB ILE 99 -7.859 -5.873 -10.509 724 HG12 ILE 99 2HG1 ILE 99 -7.787 -3.704 -9.262 725 HG13 ILE 99 1HG1 ILE 99 -7.996 -5.127 -8.253 726 HG21 ILE 99 1HG2 ILE 99 -6.560 -7.128 -8.773 727 HG22 ILE 99 2HG2 ILE 99 -5.110 -6.313 -9.359 728 HG23 ILE 99 3HG2 ILE 99 -6.016 -7.380 -10.431 729 HD11 ILE 99 3HD1 ILE 99 -5.467 -3.546 -8.646 730 HD12 ILE 99 1HD1 ILE 99 -5.590 -5.037 -7.711 731 HD13 ILE 99 2HD1 ILE 99 -6.481 -3.603 -7.202 732 H GLU 100 H GLU 100 -7.261 -5.192 -13.420 733 HA GLU 100 HA GLU 100 -6.010 -7.568 -14.116 734 HB2 GLU 100 2HB GLU 100 -8.010 -6.604 -15.241 735 HB3 GLU 100 1HB GLU 100 -6.968 -5.421 -16.019 736 HG2 GLU 100 2HG GLU 100 -7.476 -7.217 -17.543 737 HG3 GLU 100 1HG GLU 100 -5.760 -7.233 -17.139 738 H SER 101 H SER 101 -5.200 -4.304 -15.308 739 HA SER 101 HA SER 101 -2.473 -5.282 -15.851 740 HB2 SER 101 2HB SER 101 -2.322 -3.502 -17.556 741 HB3 SER 101 1HB SER 101 -3.651 -4.610 -17.893 742 HG SER 101 HG SER 101 -3.965 -2.161 -17.943 743 H ILE 102 H ILE 102 -3.360 -4.381 -13.299 744 HA ILE 102 HA ILE 102 -2.825 -1.716 -12.716 745 HB ILE 102 HB ILE 102 -3.864 -3.251 -11.112 746 HG12 ILE 102 2HG1 ILE 102 -2.476 -2.542 -9.097 747 HG13 ILE 102 1HG1 ILE 102 -1.335 -1.850 -10.243 748 HG21 ILE 102 1HG2 ILE 102 -2.613 -5.257 -11.456 749 HG22 ILE 102 2HG2 ILE 102 -2.363 -4.754 -9.784 750 HG23 ILE 102 3HG2 ILE 102 -1.107 -4.467 -10.986 751 HD11 ILE 102 3HD1 ILE 102 -3.101 -0.395 -11.107 752 HD12 ILE 102 1HD1 ILE 102 -2.809 -0.148 -9.386 753 HD13 ILE 102 2HD1 ILE 102 -4.216 -1.066 -9.919 754 H ASP 103 H ASP 103 -1.021 -0.623 -12.004 755 HA ASP 103 HA ASP 103 1.559 -1.989 -12.107 756 HB2 ASP 103 2HB ASP 103 1.018 -0.810 -14.307 757 HB3 ASP 103 1HB ASP 103 1.201 0.689 -13.406 758 H ALA 104 H ALA 104 3.304 -0.568 -11.157 759 HA ALA 104 HA ALA 104 2.460 0.316 -8.620 760 HB1 ALA 104 1HB ALA 104 5.071 0.767 -10.047 761 HB2 ALA 104 2HB ALA 104 4.678 -0.534 -8.919 762 HB3 ALA 104 3HB ALA 104 4.773 1.131 -8.346 763 H THR 105 H THR 105 3.124 1.971 -11.631 764 HA THR 105 HA THR 105 3.020 4.622 -10.655 765 HB THR 105 HB THR 105 2.358 3.554 -13.406 766 HG1 THR 105 1HG THR 105 4.516 3.205 -12.940 767 HG21 THR 105 3HG2 THR 105 2.798 6.365 -12.421 768 HG22 THR 105 1HG2 THR 105 1.335 5.701 -13.150 769 HG23 THR 105 2HG2 THR 105 2.792 5.901 -14.124 770 H LYS 106 H LYS 106 0.579 2.459 -12.026 771 HA LYS 106 HA LYS 106 -1.567 4.260 -12.027 772 HB2 LYS 106 2HB LYS 106 -1.682 1.254 -11.663 773 HB3 LYS 106 1HB LYS 106 -2.990 2.293 -12.220 774 HG2 LYS 106 2HG LYS 106 -1.771 2.824 -14.231 775 HG3 LYS 106 1HG LYS 106 -0.375 1.907 -13.663 776 HD2 LYS 106 2HD LYS 106 -1.534 0.516 -15.210 777 HD3 LYS 106 1HD LYS 106 -1.865 -0.121 -13.600 778 HE2 LYS 106 2HE LYS 106 -4.029 0.985 -13.584 779 HE3 LYS 106 1HE LYS 106 -3.695 1.700 -15.159 780 HZ1 LYS 106 3HZ LYS 106 -3.948 -1.205 -14.592 781 HZ2 LYS 106 1HZ LYS 106 -3.607 -0.526 -16.106 782 HZ3 LYS 106 2HZ LYS 106 -5.102 -0.242 -15.369 783 H LEU 107 H LEU 107 -0.865 1.668 -9.649 784 HA LEU 107 HA LEU 107 -2.829 2.279 -7.808 785 HB2 LEU 107 2HB LEU 107 -0.677 0.548 -7.893 786 HB3 LEU 107 1HB LEU 107 -0.265 1.602 -6.558 787 HG LEU 107 HG LEU 107 -2.542 -0.327 -6.804 788 HD11 LEU 107 1HD1 LEU 107 -0.601 -1.179 -5.734 789 HD12 LEU 107 2HD1 LEU 107 -1.778 -0.839 -4.466 790 HD13 LEU 107 3HD1 LEU 107 -0.431 0.269 -4.741 791 HD21 LEU 107 3HD2 LEU 107 -3.572 0.664 -4.795 792 HD22 LEU 107 1HD2 LEU 107 -3.647 1.741 -6.191 793 HD23 LEU 107 2HD2 LEU 107 -2.459 2.029 -4.919 794 H SER 108 H SER 108 0.535 3.453 -7.829 795 HA SER 108 HA SER 108 0.310 5.219 -5.672 796 HB2 SER 108 2HB SER 108 2.110 5.388 -8.099 797 HB3 SER 108 1HB SER 108 2.326 6.310 -6.611 798 HG SER 108 HG SER 108 2.797 4.460 -5.526 799 H ARG 109 H ARG 109 -0.611 5.547 -9.015 800 HA ARG 109 HA ARG 109 -0.910 8.368 -9.017 801 HB2 ARG 109 2HB ARG 109 -0.649 6.981 -11.074 802 HB3 ARG 109 1HB ARG 109 -2.246 6.318 -10.792 803 HG2 ARG 109 2HG ARG 109 -1.856 9.270 -11.065 804 HG3 ARG 109 1HG ARG 109 -1.965 8.234 -12.488 805 HD2 ARG 109 2HD ARG 109 -4.116 7.338 -11.513 806 HD3 ARG 109 1HD ARG 109 -4.025 8.648 -10.330 807 HE ARG 109 HE ARG 109 -3.779 9.835 -12.809 808 HH11 ARG 109 1HH1 ARG 109 -6.156 7.912 -11.136 809 HH12 ARG 109 2HH1 ARG 109 -7.500 8.609 -11.978 810 HH21 ARG 109 1HH2 ARG 109 -5.541 10.758 -13.919 811 HH22 ARG 109 2HH2 ARG 109 -7.150 10.228 -13.557 812 H PHE 110 H PHE 110 -3.399 5.840 -9.226 813 HA PHE 110 HA PHE 110 -5.636 7.286 -8.723 814 HB2 PHE 110 2HB PHE 110 -4.890 4.493 -7.884 815 HB3 PHE 110 1HB PHE 110 -6.469 5.170 -7.485 816 HD1 PHE 110 2HD PHE 110 -7.990 5.890 -9.324 817 HD2 PHE 110 1HD PHE 110 -4.416 3.698 -10.054 818 HE1 PHE 110 2HE PHE 110 -8.826 5.278 -11.553 819 HE2 PHE 110 1HE PHE 110 -5.246 3.084 -12.288 820 HZ PHE 110 HZ PHE 110 -7.454 3.874 -13.040 821 H ILE 111 H ILE 111 -3.388 6.003 -6.296 822 HA ILE 111 HA ILE 111 -4.787 6.939 -4.035 823 HB ILE 111 HB ILE 111 -1.823 6.459 -4.416 824 HG12 ILE 111 2HG1 ILE 111 -3.872 4.781 -2.965 825 HG13 ILE 111 1HG1 ILE 111 -3.415 4.514 -4.640 826 HG21 ILE 111 1HG2 ILE 111 -1.706 6.424 -1.958 827 HG22 ILE 111 2HG2 ILE 111 -3.385 6.958 -1.887 828 HG23 ILE 111 3HG2 ILE 111 -2.153 8.009 -2.591 829 HD11 ILE 111 3HD1 ILE 111 -2.240 2.998 -3.165 830 HD12 ILE 111 1HD1 ILE 111 -1.583 4.364 -2.264 831 HD13 ILE 111 2HD1 ILE 111 -1.112 4.107 -3.944 832 H GLU 112 H GLU 112 -2.012 8.323 -5.787 833 HA GLU 112 HA GLU 112 -1.802 10.719 -4.412 834 HB2 GLU 112 2HB GLU 112 -0.213 9.851 -6.156 835 HB3 GLU 112 1HB GLU 112 -1.376 10.344 -7.382 836 HG2 GLU 112 2HG GLU 112 -1.172 12.670 -6.591 837 HG3 GLU 112 1HG GLU 112 0.058 12.147 -5.442 838 H ILE 113 H ILE 113 -4.224 9.605 -6.522 839 HA ILE 113 HA ILE 113 -5.216 12.235 -7.216 840 HB ILE 113 HB ILE 113 -5.671 9.481 -8.140 841 HG12 ILE 113 2HG1 ILE 113 -5.854 10.608 -10.308 842 HG13 ILE 113 1HG1 ILE 113 -5.868 12.174 -9.501 843 HG21 ILE 113 1HG2 ILE 113 -7.876 10.007 -9.131 844 HG22 ILE 113 2HG2 ILE 113 -7.947 11.443 -8.108 845 HG23 ILE 113 3HG2 ILE 113 -7.897 9.839 -7.378 846 HD11 ILE 113 3HD1 ILE 113 -3.589 10.209 -9.437 847 HD12 ILE 113 1HD1 ILE 113 -3.605 11.823 -8.726 848 HD13 ILE 113 2HD1 ILE 113 -3.689 11.630 -10.478 849 H ASN 114 H ASN 114 -6.050 9.556 -5.071 850 HA ASN 114 HA ASN 114 -8.208 11.241 -3.978 851 HB2 ASN 114 2HB ASN 114 -8.196 8.237 -4.304 852 HB3 ASN 114 1HB ASN 114 -9.407 9.136 -3.390 853 HD21 ASN 114 1HD2 ASN 114 -9.556 7.470 -5.858 854 HD22 ASN 114 2HD2 ASN 114 -10.337 8.476 -7.025 855 H SER 115 H SER 115 -5.386 10.985 -3.127 856 HA SER 115 HA SER 115 -5.503 9.563 -0.616 857 HB2 SER 115 2HB SER 115 -3.212 10.399 -0.287 858 HB3 SER 115 1HB SER 115 -3.397 9.680 -1.888 859 HG SER 115 HG SER 115 -3.943 12.060 -2.415 860 H LEU 116 H LEU 116 -7.544 11.348 -0.701 861 HA LEU 116 HA LEU 116 -6.744 13.722 0.786 862 HB2 LEU 116 2HB LEU 116 -9.470 12.890 -0.191 863 HB3 LEU 116 1HB LEU 116 -9.035 14.456 0.471 864 HG LEU 116 HG LEU 116 -8.027 13.291 -2.126 865 HD11 LEU 116 1HD1 LEU 116 -9.946 15.549 -1.570 866 HD12 LEU 116 2HD1 LEU 116 -10.355 13.974 -2.247 867 HD13 LEU 116 3HD1 LEU 116 -9.335 15.085 -3.159 868 HD21 LEU 116 3HD2 LEU 116 -7.510 15.978 -0.852 869 HD22 LEU 116 1HD2 LEU 116 -7.014 15.499 -2.475 870 HD23 LEU 116 2HD2 LEU 116 -6.333 14.684 -1.068 Start of MODEL 47 1 H GLU 1 H GLU 1 8.743 -21.263 -7.051 2 HA GLU 1 HA GLU 1 8.216 -18.489 -7.311 3 HB2 GLU 1 2HB GLU 1 6.981 -19.748 -4.852 4 HB3 GLU 1 1HB GLU 1 7.269 -18.024 -5.040 5 HG2 GLU 1 2HG GLU 1 4.996 -18.394 -5.537 6 HG3 GLU 1 1HG GLU 1 5.807 -18.099 -7.074 7 H VAL 2 H VAL 2 10.318 -18.013 -7.200 8 HA VAL 2 HA VAL 2 11.671 -18.210 -4.669 9 HB VAL 2 HB VAL 2 12.140 -20.440 -5.562 10 HG11 VAL 2 1HG1 VAL 2 13.464 -20.721 -7.604 11 HG12 VAL 2 2HG1 VAL 2 13.380 -18.983 -7.895 12 HG13 VAL 2 3HG1 VAL 2 11.910 -19.955 -7.938 13 HG21 VAL 2 3HG2 VAL 2 14.545 -18.619 -5.634 14 HG22 VAL 2 1HG2 VAL 2 14.586 -20.370 -5.428 15 HG23 VAL 2 2HG2 VAL 2 13.839 -19.354 -4.194 16 H GLU 3 H GLU 3 11.624 -17.290 -8.033 17 HA GLU 3 HA GLU 3 13.720 -15.292 -7.524 18 HB2 GLU 3 2HB GLU 3 14.074 -15.189 -9.907 19 HB3 GLU 3 1HB GLU 3 14.125 -16.871 -9.401 20 HG2 GLU 3 2HG GLU 3 11.710 -15.546 -10.611 21 HG3 GLU 3 1HG GLU 3 12.906 -16.459 -11.529 22 H LYS 4 H LYS 4 10.582 -15.427 -7.195 23 HA LYS 4 HA LYS 4 10.054 -12.822 -8.467 24 HB2 LYS 4 2HB LYS 4 8.087 -14.963 -7.632 25 HB3 LYS 4 1HB LYS 4 7.663 -13.416 -8.353 26 HG2 LYS 4 2HG LYS 4 9.380 -15.484 -9.705 27 HG3 LYS 4 1HG LYS 4 7.637 -15.340 -9.931 28 HD2 LYS 4 2HD LYS 4 7.940 -13.049 -10.748 29 HD3 LYS 4 1HD LYS 4 9.686 -13.209 -10.539 30 HE2 LYS 4 2HE LYS 4 9.739 -15.004 -12.175 31 HE3 LYS 4 1HE LYS 4 7.986 -14.926 -12.345 32 HZ1 LYS 4 3HZ LYS 4 9.878 -12.741 -13.028 33 HZ2 LYS 4 1HZ LYS 4 8.198 -12.687 -13.211 34 HZ3 LYS 4 2HZ LYS 4 9.116 -13.760 -14.140 35 H SER 5 H SER 5 11.165 -13.760 -5.706 36 HA SER 5 HA SER 5 9.222 -12.523 -3.926 37 HB2 SER 5 2HB SER 5 10.781 -13.202 -2.125 38 HB3 SER 5 1HB SER 5 10.319 -14.560 -3.151 39 HG SER 5 HG SER 5 12.512 -13.367 -4.139 40 H SER 6 H SER 6 9.198 -10.371 -3.968 41 HA SER 6 HA SER 6 11.602 -8.837 -4.442 42 HB2 SER 6 2HB SER 6 9.487 -8.092 -5.426 43 HB3 SER 6 1HB SER 6 8.775 -7.947 -3.819 44 HG SER 6 HG SER 6 10.942 -6.447 -4.871 45 H ASP 7 H ASP 7 12.848 -9.409 -2.608 46 HA ASP 7 HA ASP 7 11.843 -8.608 0.011 47 HB2 ASP 7 2HB ASP 7 14.444 -9.936 -0.777 48 HB3 ASP 7 1HB ASP 7 13.912 -9.640 0.875 49 H GLY 8 H GLY 8 14.823 -8.053 -1.884 50 HA2 GLY 8 2HA GLY 8 16.055 -6.126 -2.175 51 HA3 GLY 8 1HA GLY 8 14.740 -5.233 -1.429 52 HA PRO 9 HA PRO 9 18.348 -6.643 1.682 53 HB2 PRO 9 2HB PRO 9 20.154 -4.729 0.298 54 HB3 PRO 9 1HB PRO 9 20.526 -6.279 1.058 55 HG2 PRO 9 2HG PRO 9 20.453 -6.058 -1.592 56 HG3 PRO 9 1HG PRO 9 19.816 -7.504 -0.782 57 HD2 PRO 9 2HD PRO 9 18.341 -5.186 -1.968 58 HD3 PRO 9 1HD PRO 9 17.936 -6.915 -1.997 59 H GLY 10 H GLY 10 17.332 -5.558 3.286 60 HA2 GLY 10 2HA GLY 10 18.111 -3.237 4.364 61 HA3 GLY 10 1HA GLY 10 16.985 -2.677 3.136 62 H ALA 11 H ALA 11 14.800 -2.928 3.437 63 HA ALA 11 HA ALA 11 13.671 -4.584 5.449 64 HB1 ALA 11 1HB ALA 11 14.655 -2.871 6.910 65 HB2 ALA 11 2HB ALA 11 12.894 -2.876 6.993 66 HB3 ALA 11 3HB ALA 11 13.728 -1.631 6.065 67 H ALA 12 H ALA 12 12.827 -1.305 4.357 68 HA ALA 12 HA ALA 12 11.043 -0.482 3.219 69 HB1 ALA 12 1HB ALA 12 10.879 -3.152 1.845 70 HB2 ALA 12 2HB ALA 12 12.112 -1.949 1.467 71 HB3 ALA 12 3HB ALA 12 10.405 -1.569 1.223 72 H GLN 13 H GLN 13 9.407 -0.144 4.589 73 HA GLN 13 HA GLN 13 8.006 -2.004 6.082 74 HB2 GLN 13 2HB GLN 13 6.223 -0.257 6.230 75 HB3 GLN 13 1HB GLN 13 7.840 0.336 6.590 76 HG2 GLN 13 2HG GLN 13 7.956 1.148 4.215 77 HG3 GLN 13 1HG GLN 13 6.246 0.750 4.080 78 HE21 GLN 13 1HE2 GLN 13 5.750 1.513 6.882 79 HE22 GLN 13 2HE2 GLN 13 5.745 3.240 6.900 80 H GLU 14 H GLU 14 6.171 -3.208 5.804 81 HA GLU 14 HA GLU 14 5.153 -3.397 3.043 82 HB2 GLU 14 2HB GLU 14 4.741 -5.732 3.414 83 HB3 GLU 14 1HB GLU 14 6.394 -5.391 3.906 84 HG2 GLU 14 2HG GLU 14 5.667 -5.318 6.249 85 HG3 GLU 14 1HG GLU 14 4.026 -5.706 5.736 86 HA PRO 15 HA PRO 15 1.069 -2.431 4.396 87 HB2 PRO 15 2HB PRO 15 -0.481 -4.180 2.994 88 HB3 PRO 15 1HB PRO 15 0.296 -2.767 2.271 89 HG2 PRO 15 2HG PRO 15 1.151 -5.631 2.234 90 HG3 PRO 15 1HG PRO 15 1.189 -4.429 0.930 91 HD2 PRO 15 2HD PRO 15 3.387 -5.115 2.357 92 HD3 PRO 15 1HD PRO 15 3.150 -3.492 1.682 93 H THR 16 H THR 16 -0.356 -2.912 5.977 94 HA THR 16 HA THR 16 0.177 -5.029 7.757 95 HB THR 16 HB THR 16 -2.339 -3.359 7.583 96 HG1 THR 16 1HG THR 16 0.054 -2.496 7.967 97 HG21 THR 16 3HG2 THR 16 -1.126 -4.982 9.821 98 HG22 THR 16 1HG2 THR 16 -2.674 -5.259 9.020 99 HG23 THR 16 2HG2 THR 16 -2.447 -3.832 10.032 100 H TRP 17 H TRP 17 -1.132 -6.800 8.381 101 HA TRP 17 HA TRP 17 -2.535 -8.026 6.128 102 HB2 TRP 17 2HB TRP 17 -1.493 -9.195 8.713 103 HB3 TRP 17 1HB TRP 17 -2.336 -10.118 7.475 104 HD1 TRP 17 HD TRP 17 -0.974 -9.502 4.868 105 HE1 TRP 17 1HE TRP 17 1.530 -9.929 4.452 106 HE3 TRP 17 3HE TRP 17 0.656 -9.567 9.712 107 HZ2 TRP 17 2HZ TRP 17 3.883 -10.254 5.974 108 HZ3 TRP 17 3HZ TRP 17 3.048 -9.944 10.148 109 HH2 TRP 17 HH TRP 17 4.629 -10.280 8.316 110 H LEU 18 H LEU 18 -4.525 -6.978 6.245 111 HA LEU 18 HA LEU 18 -6.082 -7.047 8.690 112 HB2 LEU 18 2HB LEU 18 -6.927 -6.199 5.921 113 HB3 LEU 18 1HB LEU 18 -7.746 -5.836 7.430 114 HG LEU 18 HG LEU 18 -4.990 -4.845 6.714 115 HD11 LEU 18 1HD1 LEU 18 -6.077 -2.667 6.397 116 HD12 LEU 18 2HD1 LEU 18 -7.649 -3.445 6.574 117 HD13 LEU 18 3HD1 LEU 18 -6.604 -3.867 5.219 118 HD21 LEU 18 3HD2 LEU 18 -5.277 -4.982 9.088 119 HD22 LEU 18 1HD2 LEU 18 -6.861 -4.213 8.988 120 HD23 LEU 18 2HD2 LEU 18 -5.406 -3.290 8.608 121 H THR 19 H THR 19 -5.925 -9.450 8.748 122 HA THR 19 HA THR 19 -7.281 -11.031 6.807 123 HB THR 19 HB THR 19 -7.035 -12.877 8.385 124 HG1 THR 19 1HG THR 19 -5.960 -12.354 10.429 125 HG21 THR 19 3HG2 THR 19 -4.588 -11.114 8.252 126 HG22 THR 19 1HG2 THR 19 -5.105 -12.267 7.023 127 HG23 THR 19 2HG2 THR 19 -4.589 -12.841 8.609 128 H ASP 20 H ASP 20 -8.542 -8.899 8.991 129 HA ASP 20 HA ASP 20 -11.109 -10.309 8.952 130 HB2 ASP 20 2HB ASP 20 -9.801 -9.128 11.401 131 HB3 ASP 20 1HB ASP 20 -11.515 -9.526 11.319 132 H VAL 21 H VAL 21 -12.934 -9.012 8.946 133 HA VAL 21 HA VAL 21 -12.750 -6.561 7.633 134 HB VAL 21 HB VAL 21 -15.084 -7.476 9.320 135 HG11 VAL 21 1HG1 VAL 21 -16.411 -6.148 7.738 136 HG12 VAL 21 2HG1 VAL 21 -14.927 -5.623 6.945 137 HG13 VAL 21 3HG1 VAL 21 -15.246 -5.159 8.615 138 HG21 VAL 21 3HG2 VAL 21 -14.416 -9.246 7.782 139 HG22 VAL 21 1HG2 VAL 21 -14.448 -8.106 6.438 140 HG23 VAL 21 2HG2 VAL 21 -15.943 -8.522 7.276 141 HA PRO 22 HA PRO 22 -13.694 -4.461 11.969 142 HB2 PRO 22 2HB PRO 22 -12.533 -5.845 14.061 143 HB3 PRO 22 1HB PRO 22 -14.253 -5.883 13.660 144 HG2 PRO 22 2HG PRO 22 -12.098 -7.834 12.964 145 HG3 PRO 22 1HG PRO 22 -13.771 -8.141 13.473 146 HD2 PRO 22 2HD PRO 22 -13.040 -8.342 10.910 147 HD3 PRO 22 1HD PRO 22 -14.626 -7.687 11.363 148 H ALA 23 H ALA 23 -10.776 -6.507 11.778 149 HA ALA 23 HA ALA 23 -9.013 -4.591 12.853 150 HB1 ALA 23 1HB ALA 23 -8.297 -6.786 10.913 151 HB2 ALA 23 2HB ALA 23 -8.525 -7.034 12.646 152 HB3 ALA 23 3HB ALA 23 -7.229 -5.987 12.068 153 H ALA 24 H ALA 24 -10.147 -5.281 9.643 154 HA ALA 24 HA ALA 24 -8.359 -3.668 8.187 155 HB1 ALA 24 1HB ALA 24 -10.087 -3.725 6.411 156 HB2 ALA 24 2HB ALA 24 -11.206 -4.466 7.557 157 HB3 ALA 24 3HB ALA 24 -9.740 -5.322 7.078 158 H MET 25 H MET 25 -11.709 -3.012 9.206 159 HA MET 25 HA MET 25 -11.748 -0.310 8.467 160 HB2 MET 25 2HB MET 25 -13.376 -1.668 10.622 161 HB3 MET 25 1HB MET 25 -13.754 -0.133 9.852 162 HG2 MET 25 2HG MET 25 -13.781 -1.468 7.663 163 HG3 MET 25 1HG MET 25 -13.866 -2.889 8.698 164 HE1 MET 25 3HE MET 25 -17.521 -2.208 7.199 165 HE2 MET 25 1HE MET 25 -16.200 -3.376 7.246 166 HE3 MET 25 2HE MET 25 -15.977 -1.827 6.435 167 H GLU 26 H GLU 26 -10.492 -1.906 11.299 168 HA GLU 26 HA GLU 26 -10.441 0.400 12.967 169 HB2 GLU 26 2HB GLU 26 -9.148 -2.294 13.062 170 HB3 GLU 26 1HB GLU 26 -8.567 -1.025 14.133 171 HG2 GLU 26 2HG GLU 26 -10.944 -0.738 14.898 172 HG3 GLU 26 1HG GLU 26 -11.320 -2.210 14.003 173 H PHE 27 H PHE 27 -7.947 -1.231 11.019 174 HA PHE 27 HA PHE 27 -5.919 0.632 11.546 175 HB2 PHE 27 2HB PHE 27 -6.361 -1.487 9.510 176 HB3 PHE 27 1HB PHE 27 -5.155 -0.257 9.136 177 HD1 PHE 27 2HD PHE 27 -6.058 -2.985 11.422 178 HD2 PHE 27 1HD PHE 27 -3.094 -0.123 10.356 179 HE1 PHE 27 2HE PHE 27 -4.423 -4.157 12.838 180 HE2 PHE 27 1HE PHE 27 -1.454 -1.289 11.772 181 HZ PHE 27 HZ PHE 27 -2.118 -3.308 13.017 182 H ILE 28 H ILE 28 -8.568 0.595 9.281 183 HA ILE 28 HA ILE 28 -7.676 2.840 7.739 184 HB ILE 28 HB ILE 28 -10.336 1.453 8.019 185 HG12 ILE 28 2HG1 ILE 28 -8.620 1.822 5.562 186 HG13 ILE 28 1HG1 ILE 28 -8.406 0.471 6.676 187 HG21 ILE 28 1HG2 ILE 28 -11.163 2.905 6.188 188 HG22 ILE 28 2HG2 ILE 28 -9.726 3.905 6.378 189 HG23 ILE 28 3HG2 ILE 28 -10.885 3.770 7.699 190 HD11 ILE 28 3HD1 ILE 28 -9.794 -0.002 4.647 191 HD12 ILE 28 1HD1 ILE 28 -11.012 1.087 5.314 192 HD13 ILE 28 2HD1 ILE 28 -10.563 -0.379 6.189 193 H ALA 29 H ALA 29 -9.740 2.347 10.539 194 HA ALA 29 HA ALA 29 -10.680 5.038 10.692 195 HB1 ALA 29 1HB ALA 29 -11.515 4.372 12.918 196 HB2 ALA 29 2HB ALA 29 -10.670 2.829 12.753 197 HB3 ALA 29 3HB ALA 29 -11.985 3.241 11.650 198 H ALA 30 H ALA 30 -7.785 3.472 11.566 199 HA ALA 30 HA ALA 30 -7.077 5.481 13.571 200 HB1 ALA 30 1HB ALA 30 -6.571 3.118 14.022 201 HB2 ALA 30 2HB ALA 30 -5.118 4.117 13.992 202 HB3 ALA 30 3HB ALA 30 -5.509 3.090 12.614 203 H THR 31 H THR 31 -7.401 6.161 10.724 204 HA THR 31 HA THR 31 -5.066 7.767 10.420 205 HB THR 31 HB THR 31 -4.117 5.658 9.611 206 HG1 THR 31 1HG THR 31 -4.641 7.452 7.456 207 HG21 THR 31 3HG2 THR 31 -5.769 4.321 8.773 208 HG22 THR 31 1HG2 THR 31 -5.133 4.977 7.268 209 HG23 THR 31 2HG2 THR 31 -6.600 5.653 7.973 210 H GLU 32 H GLU 32 -5.223 9.262 8.683 211 HA GLU 32 HA GLU 32 -7.893 10.025 8.020 212 HB2 GLU 32 2HB GLU 32 -5.760 11.482 8.337 213 HB3 GLU 32 1HB GLU 32 -5.440 11.096 6.653 214 HG2 GLU 32 2HG GLU 32 -7.569 12.068 6.008 215 HG3 GLU 32 1HG GLU 32 -7.926 12.423 7.699 216 H VAL 33 H VAL 33 -5.202 8.610 6.203 217 HA VAL 33 HA VAL 33 -7.116 7.865 4.091 218 HB VAL 33 HB VAL 33 -4.220 8.563 3.603 219 HG11 VAL 33 1HG1 VAL 33 -5.180 6.981 2.008 220 HG12 VAL 33 2HG1 VAL 33 -4.857 8.541 1.249 221 HG13 VAL 33 3HG1 VAL 33 -6.510 8.100 1.693 222 HG21 VAL 33 3HG2 VAL 33 -5.109 10.612 2.528 223 HG22 VAL 33 1HG2 VAL 33 -5.373 10.569 4.272 224 HG23 VAL 33 2HG2 VAL 33 -6.704 10.212 3.169 225 H ALA 34 H ALA 34 -7.035 5.768 3.406 226 HA ALA 34 HA ALA 34 -4.811 4.091 4.310 227 HB1 ALA 34 1HB ALA 34 -7.712 3.579 4.912 228 HB2 ALA 34 2HB ALA 34 -6.393 3.803 6.062 229 HB3 ALA 34 3HB ALA 34 -6.450 2.354 5.055 230 H VAL 35 H VAL 35 -4.124 2.758 2.800 231 HA VAL 35 HA VAL 35 -5.949 2.085 0.588 232 HB VAL 35 HB VAL 35 -2.971 2.554 0.549 233 HG11 VAL 35 1HG1 VAL 35 -3.051 1.875 -1.833 234 HG12 VAL 35 2HG1 VAL 35 -4.703 1.312 -1.592 235 HG13 VAL 35 3HG1 VAL 35 -3.373 0.534 -0.734 236 HG21 VAL 35 3HG2 VAL 35 -5.310 3.751 -0.923 237 HG22 VAL 35 1HG2 VAL 35 -3.617 4.157 -1.220 238 HG23 VAL 35 2HG2 VAL 35 -4.352 4.522 0.343 239 H ILE 36 H ILE 36 -6.307 0.001 0.195 240 HA ILE 36 HA ILE 36 -4.584 -1.976 1.509 241 HB ILE 36 HB ILE 36 -7.589 -1.871 1.721 242 HG12 ILE 36 2HG1 ILE 36 -5.666 -1.895 4.017 243 HG13 ILE 36 1HG1 ILE 36 -5.973 -0.390 3.164 244 HG21 ILE 36 1HG2 ILE 36 -6.995 -4.160 1.523 245 HG22 ILE 36 2HG2 ILE 36 -7.245 -3.851 3.242 246 HG23 ILE 36 3HG2 ILE 36 -5.607 -3.965 2.595 247 HD11 ILE 36 3HD1 ILE 36 -7.944 -2.092 4.645 248 HD12 ILE 36 1HD1 ILE 36 -8.396 -0.727 3.622 249 HD13 ILE 36 2HD1 ILE 36 -7.390 -0.465 5.048 250 H GLY 37 H GLY 37 -4.231 -3.804 0.422 251 HA2 GLY 37 2HA GLY 37 -5.452 -4.037 -2.229 252 HA3 GLY 37 1HA GLY 37 -3.958 -4.799 -1.719 253 H PHE 38 H PHE 38 -7.370 -5.105 -1.969 254 HA PHE 38 HA PHE 38 -7.526 -7.501 -0.333 255 HB2 PHE 38 2HB PHE 38 -9.628 -6.314 -2.162 256 HB3 PHE 38 1HB PHE 38 -9.881 -7.505 -0.889 257 HD1 PHE 38 1HD PHE 38 -8.622 -4.036 -1.383 258 HD2 PHE 38 2HD PHE 38 -10.562 -6.808 1.195 259 HE1 PHE 38 1HE PHE 38 -9.049 -2.234 0.229 260 HE2 PHE 38 2HE PHE 38 -10.994 -5.004 2.812 261 HZ PHE 38 HZ PHE 38 -10.235 -2.715 2.330 262 H PHE 39 H PHE 39 -6.245 -9.028 -1.303 263 HA PHE 39 HA PHE 39 -6.915 -9.745 -4.080 264 HB2 PHE 39 2HB PHE 39 -4.357 -10.421 -2.639 265 HB3 PHE 39 1HB PHE 39 -4.686 -10.535 -4.367 266 HD1 PHE 39 1HD PHE 39 -5.901 -7.966 -4.980 267 HD2 PHE 39 2HD PHE 39 -2.652 -8.887 -2.393 268 HE1 PHE 39 1HE PHE 39 -5.004 -5.700 -5.305 269 HE2 PHE 39 2HE PHE 39 -1.750 -6.621 -2.712 270 HZ PHE 39 HZ PHE 39 -2.925 -5.025 -4.169 271 H GLN 40 H GLN 40 -7.321 -11.835 -4.631 272 HA GLN 40 HA GLN 40 -7.925 -13.668 -2.445 273 HB2 GLN 40 2HB GLN 40 -8.438 -13.908 -5.422 274 HB3 GLN 40 1HB GLN 40 -9.010 -15.031 -4.196 275 HG2 GLN 40 2HG GLN 40 -10.374 -13.280 -3.205 276 HG3 GLN 40 1HG GLN 40 -9.773 -12.126 -4.395 277 HE21 GLN 40 1HE2 GLN 40 -12.502 -13.014 -3.843 278 HE22 GLN 40 2HE2 GLN 40 -13.108 -13.645 -5.332 279 H ASP 41 H ASP 41 -5.373 -12.858 -4.285 280 HA ASP 41 HA ASP 41 -3.934 -15.299 -3.713 281 HB2 ASP 41 2HB ASP 41 -4.968 -15.658 -5.985 282 HB3 ASP 41 1HB ASP 41 -4.062 -14.258 -6.559 283 H LEU 42 H LEU 42 -2.016 -14.652 -2.904 284 HA LEU 42 HA LEU 42 -1.155 -11.923 -3.441 285 HB2 LEU 42 2HB LEU 42 -0.110 -13.943 -1.460 286 HB3 LEU 42 1HB LEU 42 0.459 -12.289 -1.611 287 HG LEU 42 HG LEU 42 -2.330 -13.123 -0.816 288 HD11 LEU 42 1HD1 LEU 42 -0.100 -11.899 0.806 289 HD12 LEU 42 2HD1 LEU 42 -0.660 -13.569 0.912 290 HD13 LEU 42 3HD1 LEU 42 -1.732 -12.249 1.376 291 HD21 LEU 42 3HD2 LEU 42 -2.449 -11.049 -2.005 292 HD22 LEU 42 1HD2 LEU 42 -1.055 -10.409 -1.132 293 HD23 LEU 42 2HD2 LEU 42 -2.574 -10.693 -0.282 294 H GLU 43 H GLU 43 -0.898 -13.409 -5.654 295 HA GLU 43 HA GLU 43 2.015 -13.543 -5.972 296 HB2 GLU 43 2HB GLU 43 0.056 -15.581 -7.048 297 HB3 GLU 43 1HB GLU 43 1.762 -15.512 -7.455 298 HG2 GLU 43 2HG GLU 43 2.306 -15.881 -5.086 299 HG3 GLU 43 1HG GLU 43 0.584 -16.041 -4.745 300 H ILE 44 H ILE 44 -0.529 -11.880 -6.673 301 HA ILE 44 HA ILE 44 -0.268 -11.714 -9.573 302 HB ILE 44 HB ILE 44 -2.063 -9.893 -9.230 303 HG12 ILE 44 2HG1 ILE 44 -2.615 -11.333 -6.674 304 HG13 ILE 44 1HG1 ILE 44 -1.494 -9.981 -6.677 305 HG21 ILE 44 1HG2 ILE 44 -2.809 -12.717 -8.477 306 HG22 ILE 44 2HG2 ILE 44 -2.402 -12.210 -10.120 307 HG23 ILE 44 3HG2 ILE 44 -3.808 -11.520 -9.308 308 HD11 ILE 44 3HD1 ILE 44 -3.536 -9.057 -6.094 309 HD12 ILE 44 1HD1 ILE 44 -4.410 -10.003 -7.299 310 HD13 ILE 44 2HD1 ILE 44 -3.364 -8.677 -7.807 311 HA PRO 45 HA PRO 45 2.331 -8.154 -9.898 312 HB2 PRO 45 2HB PRO 45 0.100 -6.844 -11.387 313 HB3 PRO 45 1HB PRO 45 1.791 -7.043 -11.852 314 HG2 PRO 45 2HG PRO 45 -0.068 -8.568 -12.958 315 HG3 PRO 45 1HG PRO 45 1.488 -9.272 -12.475 316 HD2 PRO 45 2HD PRO 45 -1.175 -9.444 -11.119 317 HD3 PRO 45 1HD PRO 45 0.077 -10.690 -11.308 318 H ALA 46 H ALA 46 -0.945 -7.748 -8.786 319 HA ALA 46 HA ALA 46 -0.790 -5.036 -8.005 320 HB1 ALA 46 1HB ALA 46 -2.871 -6.413 -8.344 321 HB2 ALA 46 2HB ALA 46 -2.851 -5.389 -6.907 322 HB3 ALA 46 3HB ALA 46 -2.555 -7.123 -6.760 323 H VAL 47 H VAL 47 -0.073 -8.046 -6.280 324 HA VAL 47 HA VAL 47 0.116 -6.966 -3.711 325 HB VAL 47 HB VAL 47 1.908 -9.214 -4.565 326 HG11 VAL 47 1HG1 VAL 47 1.357 -10.062 -2.332 327 HG12 VAL 47 2HG1 VAL 47 0.324 -8.661 -2.058 328 HG13 VAL 47 3HG1 VAL 47 2.062 -8.447 -2.263 329 HG21 VAL 47 3HG2 VAL 47 0.043 -10.763 -4.328 330 HG22 VAL 47 1HG2 VAL 47 -0.259 -9.614 -5.631 331 HG23 VAL 47 2HG2 VAL 47 -1.060 -9.411 -4.073 332 HA PRO 48 HA PRO 48 4.914 -6.378 -4.493 333 HB2 PRO 48 2HB PRO 48 4.942 -6.105 -7.445 334 HB3 PRO 48 1HB PRO 48 6.092 -6.925 -6.381 335 HG2 PRO 48 2HG PRO 48 4.415 -8.318 -7.913 336 HG3 PRO 48 1HG PRO 48 4.806 -8.853 -6.268 337 HD2 PRO 48 2HD PRO 48 2.363 -7.449 -7.270 338 HD3 PRO 48 1HD PRO 48 2.496 -8.782 -6.111 339 H ILE 49 H ILE 49 2.771 -5.028 -6.964 340 HA ILE 49 HA ILE 49 3.880 -2.468 -7.091 341 HB ILE 49 HB ILE 49 1.248 -3.646 -7.826 342 HG12 ILE 49 2HG1 ILE 49 3.003 -1.966 -9.561 343 HG13 ILE 49 1HG1 ILE 49 3.512 -3.597 -9.146 344 HG21 ILE 49 1HG2 ILE 49 0.715 -1.314 -8.801 345 HG22 ILE 49 2HG2 ILE 49 1.788 -0.731 -7.527 346 HG23 ILE 49 3HG2 ILE 49 0.345 -1.655 -7.113 347 HD11 ILE 49 3HD1 ILE 49 0.814 -3.041 -10.317 348 HD12 ILE 49 1HD1 ILE 49 1.703 -4.562 -10.254 349 HD13 ILE 49 2HD1 ILE 49 2.245 -3.266 -11.323 350 H LEU 50 H LEU 50 1.530 -3.858 -4.883 351 HA LEU 50 HA LEU 50 0.832 -1.346 -3.690 352 HB2 LEU 50 2HB LEU 50 -0.764 -3.148 -3.602 353 HB3 LEU 50 1HB LEU 50 0.388 -4.189 -2.798 354 HG LEU 50 HG LEU 50 0.343 -2.597 -0.850 355 HD11 LEU 50 1HD1 LEU 50 -2.055 -1.468 -2.281 356 HD12 LEU 50 2HD1 LEU 50 -0.503 -0.653 -2.096 357 HD13 LEU 50 3HD1 LEU 50 -1.477 -1.023 -0.675 358 HD21 LEU 50 3HD2 LEU 50 -1.014 -4.742 -1.077 359 HD22 LEU 50 1HD2 LEU 50 -2.391 -3.702 -1.454 360 HD23 LEU 50 2HD2 LEU 50 -1.574 -3.560 0.106 361 H HIS 51 H HIS 51 2.810 -4.129 -2.667 362 HA HIS 51 HA HIS 51 3.770 -3.102 -0.277 363 HB2 HIS 51 2HB HIS 51 5.011 -4.966 -2.295 364 HB3 HIS 51 1HB HIS 51 5.856 -4.515 -0.820 365 HD1 HIS 51 1HD HIS 51 2.293 -5.705 -1.497 366 HD2 HIS 51 2HD HIS 51 5.551 -6.507 0.950 367 HE1 HIS 51 1HE HIS 51 1.557 -7.578 0.009 368 HE2 HIS 51 2HE HIS 51 3.580 -8.116 1.409 369 H SER 52 H SER 52 4.517 -2.255 -3.541 370 HA SER 52 HA SER 52 6.952 -0.838 -2.881 371 HB2 SER 52 2HB SER 52 6.743 -1.905 -5.079 372 HB3 SER 52 1HB SER 52 5.336 -0.906 -5.445 373 HG SER 52 HG SER 52 8.025 -0.266 -5.469 374 H MET 53 H MET 53 3.641 0.022 -3.882 375 HA MET 53 HA MET 53 3.955 2.795 -3.841 376 HB2 MET 53 2HB MET 53 1.654 2.948 -4.007 377 HB3 MET 53 1HB MET 53 1.933 1.316 -4.596 378 HG2 MET 53 2HG MET 53 0.134 1.057 -3.182 379 HG3 MET 53 1HG MET 53 1.496 0.598 -2.168 380 HE1 MET 53 3HE MET 53 0.385 0.905 0.130 381 HE2 MET 53 1HE MET 53 -1.147 1.155 -0.711 382 HE3 MET 53 2HE MET 53 -0.644 2.271 0.561 383 H VAL 54 H VAL 54 3.671 0.471 -1.320 384 HA VAL 54 HA VAL 54 2.792 1.930 0.841 385 HB VAL 54 HB VAL 54 4.869 -0.241 0.693 386 HG11 VAL 54 1HG1 VAL 54 5.284 1.065 2.698 387 HG12 VAL 54 2HG1 VAL 54 4.604 -0.512 3.107 388 HG13 VAL 54 3HG1 VAL 54 3.586 0.925 3.151 389 HG21 VAL 54 3HG2 VAL 54 2.878 -1.240 0.147 390 HG22 VAL 54 1HG2 VAL 54 1.929 -0.139 1.143 391 HG23 VAL 54 2HG2 VAL 54 2.875 -1.420 1.900 392 H GLN 55 H GLN 55 6.135 1.610 -0.332 393 HA GLN 55 HA GLN 55 7.159 3.466 1.587 394 HB2 GLN 55 2HB GLN 55 8.521 2.615 -0.951 395 HB3 GLN 55 1HB GLN 55 9.248 3.166 0.550 396 HG2 GLN 55 2HG GLN 55 8.424 1.122 1.655 397 HG3 GLN 55 1HG GLN 55 7.828 0.560 0.091 398 HE21 GLN 55 1HE2 GLN 55 10.667 1.324 1.969 399 HE22 GLN 55 2HE2 GLN 55 11.792 0.455 0.986 400 H LYS 56 H LYS 56 5.477 3.775 -1.305 401 HA LYS 56 HA LYS 56 6.645 6.345 -2.029 402 HB2 LYS 56 2HB LYS 56 4.354 4.828 -3.289 403 HB3 LYS 56 1HB LYS 56 5.139 6.254 -3.952 404 HG2 LYS 56 2HG LYS 56 7.211 5.021 -4.213 405 HG3 LYS 56 1HG LYS 56 6.469 3.591 -3.493 406 HD2 LYS 56 2HD LYS 56 6.377 3.239 -5.820 407 HD3 LYS 56 1HD LYS 56 4.748 3.744 -5.362 408 HE2 LYS 56 2HE LYS 56 5.295 4.940 -7.331 409 HE3 LYS 56 1HE LYS 56 5.419 6.084 -5.993 410 HZ1 LYS 56 3HZ LYS 56 7.282 6.289 -7.521 411 HZ2 LYS 56 1HZ LYS 56 7.702 4.671 -7.263 412 HZ3 LYS 56 2HZ LYS 56 7.812 5.785 -5.995 413 H PHE 57 H PHE 57 4.119 5.057 -0.166 414 HA PHE 57 HA PHE 57 3.031 7.742 0.251 415 HB2 PHE 57 2HB PHE 57 1.509 5.283 -0.536 416 HB3 PHE 57 1HB PHE 57 0.731 6.546 0.414 417 HD1 PHE 57 1HD PHE 57 0.505 8.829 -0.525 418 HD2 PHE 57 2HD PHE 57 1.914 5.555 -2.852 419 HE1 PHE 57 1HE PHE 57 0.046 10.099 -2.582 420 HE2 PHE 57 2HE PHE 57 1.459 6.821 -4.912 421 HZ PHE 57 HZ PHE 57 0.523 9.094 -4.779 422 HA PRO 58 HA PRO 58 4.163 5.314 4.180 423 HB2 PRO 58 2HB PRO 58 5.147 7.661 5.330 424 HB3 PRO 58 1HB PRO 58 6.124 6.390 4.593 425 HG2 PRO 58 2HG PRO 58 5.173 8.970 3.426 426 HG3 PRO 58 1HG PRO 58 6.735 8.152 3.220 427 HD2 PRO 58 2HD PRO 58 4.897 8.060 1.297 428 HD3 PRO 58 1HD PRO 58 5.867 6.624 1.682 429 H GLY 59 H GLY 59 3.003 8.673 3.845 430 HA2 GLY 59 2HA GLY 59 1.587 8.886 6.217 431 HA3 GLY 59 1HA GLY 59 1.155 9.721 4.728 432 H VAL 60 H VAL 60 0.570 7.521 3.130 433 HA VAL 60 HA VAL 60 -2.107 6.973 3.856 434 HB VAL 60 HB VAL 60 -0.268 5.920 1.720 435 HG11 VAL 60 1HG1 VAL 60 -2.131 4.637 0.779 436 HG12 VAL 60 2HG1 VAL 60 -3.114 5.023 2.192 437 HG13 VAL 60 3HG1 VAL 60 -1.670 4.025 2.366 438 HG21 VAL 60 3HG2 VAL 60 -1.934 7.012 0.251 439 HG22 VAL 60 1HG2 VAL 60 -1.160 8.129 1.377 440 HG23 VAL 60 2HG2 VAL 60 -2.799 7.558 1.690 441 H SER 61 H SER 61 -3.055 5.102 4.680 442 HA SER 61 HA SER 61 -1.301 3.470 6.287 443 HB2 SER 61 2HB SER 61 -3.441 4.215 7.211 444 HB3 SER 61 1HB SER 61 -4.300 3.340 5.946 445 HG SER 61 HG SER 61 -4.282 1.850 7.463 446 H PHE 62 H PHE 62 -0.128 2.134 5.045 447 HA PHE 62 HA PHE 62 -1.092 0.710 2.809 448 HB2 PHE 62 2HB PHE 62 1.004 -0.761 3.367 449 HB3 PHE 62 1HB PHE 62 1.217 0.897 2.812 450 HD1 PHE 62 1HD PHE 62 1.431 -1.356 5.698 451 HD2 PHE 62 2HD PHE 62 2.039 2.613 4.284 452 HE1 PHE 62 1HE PHE 62 2.732 -0.838 7.721 453 HE2 PHE 62 2HE PHE 62 3.342 3.136 6.303 454 HZ PHE 62 HZ PHE 62 3.690 1.409 8.025 455 H GLY 63 H GLY 63 -2.344 -1.014 2.710 456 HA2 GLY 63 2HA GLY 63 -2.299 -2.956 4.903 457 HA3 GLY 63 1HA GLY 63 -3.841 -2.234 4.465 458 H ILE 64 H ILE 64 -3.456 -4.956 4.366 459 HA ILE 64 HA ILE 64 -4.128 -5.482 1.632 460 HB ILE 64 HB ILE 64 -1.504 -5.563 1.946 461 HG12 ILE 64 2HG1 ILE 64 -3.045 -7.670 0.427 462 HG13 ILE 64 1HG1 ILE 64 -2.716 -6.035 -0.131 463 HG21 ILE 64 1HG2 ILE 64 -1.506 -7.141 3.797 464 HG22 ILE 64 2HG2 ILE 64 -0.684 -7.819 2.394 465 HG23 ILE 64 3HG2 ILE 64 -2.320 -8.336 2.790 466 HD11 ILE 64 3HD1 ILE 64 -0.317 -6.527 -0.110 467 HD12 ILE 64 1HD1 ILE 64 -1.212 -7.609 -1.177 468 HD13 ILE 64 2HD1 ILE 64 -0.670 -8.179 0.400 469 H SER 65 H SER 65 -5.331 -7.348 1.429 470 HA SER 65 HA SER 65 -5.501 -9.143 3.722 471 HB2 SER 65 2HB SER 65 -7.165 -7.453 4.255 472 HB3 SER 65 1HB SER 65 -7.878 -7.606 2.650 473 HG SER 65 HG SER 65 -8.495 -9.713 3.174 474 H THR 66 H THR 66 -6.605 -11.114 3.307 475 HA THR 66 HA THR 66 -7.161 -11.713 0.493 476 HB THR 66 HB THR 66 -5.957 -13.878 0.702 477 HG1 THR 66 1HG THR 66 -5.796 -13.142 3.257 478 HG21 THR 66 3HG2 THR 66 -4.917 -11.903 -0.367 479 HG22 THR 66 1HG2 THR 66 -3.739 -12.984 0.378 480 HG23 THR 66 2HG2 THR 66 -4.190 -11.482 1.182 481 H ASP 67 H ASP 67 -8.146 -11.756 3.629 482 HA ASP 67 HA ASP 67 -9.422 -14.281 3.829 483 HB2 ASP 67 2HB ASP 67 -8.875 -12.770 5.760 484 HB3 ASP 67 1HB ASP 67 -10.191 -11.721 5.243 485 H SER 68 H SER 68 -11.467 -14.915 3.329 486 HA SER 68 HA SER 68 -12.758 -13.691 1.161 487 HB2 SER 68 2HB SER 68 -14.552 -15.340 1.547 488 HB3 SER 68 1HB SER 68 -12.954 -16.083 1.610 489 HG SER 68 HG SER 68 -14.720 -15.491 3.728 490 H GLU 69 H GLU 69 -13.625 -13.754 4.616 491 HA GLU 69 HA GLU 69 -16.057 -12.467 4.508 492 HB2 GLU 69 2HB GLU 69 -13.961 -12.048 6.635 493 HB3 GLU 69 1HB GLU 69 -15.693 -11.791 6.799 494 HG2 GLU 69 2HG GLU 69 -16.074 -14.184 6.445 495 HG3 GLU 69 1HG GLU 69 -14.333 -14.433 6.324 496 H VAL 70 H VAL 70 -12.842 -10.963 4.705 497 HA VAL 70 HA VAL 70 -13.865 -8.315 4.701 498 HB VAL 70 HB VAL 70 -11.110 -9.355 4.029 499 HG11 VAL 70 1HG1 VAL 70 -10.387 -6.986 4.375 500 HG12 VAL 70 2HG1 VAL 70 -12.089 -6.524 4.325 501 HG13 VAL 70 3HG1 VAL 70 -11.332 -7.261 2.912 502 HG21 VAL 70 3HG2 VAL 70 -10.629 -8.203 6.273 503 HG22 VAL 70 1HG2 VAL 70 -11.473 -9.755 6.300 504 HG23 VAL 70 2HG2 VAL 70 -12.376 -8.256 6.510 505 H LEU 71 H LEU 71 -12.334 -10.287 2.160 506 HA LEU 71 HA LEU 71 -12.618 -8.434 0.085 507 HB2 LEU 71 2HB LEU 71 -12.246 -11.388 0.225 508 HB3 LEU 71 1HB LEU 71 -12.698 -10.681 -1.315 509 HG LEU 71 HG LEU 71 -10.709 -9.379 -1.414 510 HD11 LEU 71 1HD1 LEU 71 -10.199 -10.264 1.419 511 HD12 LEU 71 2HD1 LEU 71 -10.556 -8.629 0.861 512 HD13 LEU 71 3HD1 LEU 71 -9.037 -9.403 0.409 513 HD21 LEU 71 3HD2 LEU 71 -8.951 -11.095 -1.290 514 HD22 LEU 71 1HD2 LEU 71 -10.417 -11.691 -2.071 515 HD23 LEU 71 2HD2 LEU 71 -10.059 -12.146 -0.405 516 H THR 72 H THR 72 -14.943 -10.219 1.770 517 HA THR 72 HA THR 72 -16.922 -10.123 -0.369 518 HB THR 72 HB THR 72 -17.102 -11.164 2.469 519 HG1 THR 72 1HG THR 72 -17.381 -13.181 1.147 520 HG21 THR 72 3HG2 THR 72 -19.145 -11.004 0.261 521 HG22 THR 72 1HG2 THR 72 -19.292 -10.468 1.934 522 HG23 THR 72 2HG2 THR 72 -19.264 -12.192 1.561 523 H HIS 73 H HIS 73 -16.258 -8.695 2.790 524 HA HIS 73 HA HIS 73 -18.625 -7.201 3.039 525 HB2 HIS 73 2HB HIS 73 -16.872 -7.685 4.834 526 HB3 HIS 73 1HB HIS 73 -15.941 -6.363 4.137 527 HD1 HIS 73 1HD HIS 73 -18.520 -7.050 6.578 528 HD2 HIS 73 2HD HIS 73 -17.442 -3.818 4.200 529 HE1 HIS 73 1HE HIS 73 -19.650 -5.054 7.607 530 HE2 HIS 73 2HE HIS 73 -18.901 -3.096 6.211 531 H TYR 74 H TYR 74 -15.566 -6.556 1.438 532 HA TYR 74 HA TYR 74 -16.451 -3.877 0.680 533 HB2 TYR 74 2HB TYR 74 -13.834 -5.338 0.326 534 HB3 TYR 74 1HB TYR 74 -14.148 -3.754 -0.370 535 HD1 TYR 74 2HD TYR 74 -14.080 -5.572 2.878 536 HD2 TYR 74 1HD TYR 74 -13.746 -1.828 0.885 537 HE1 TYR 74 2HE TYR 74 -13.376 -4.519 4.985 538 HE2 TYR 74 1HE TYR 74 -13.040 -0.766 2.986 539 HH TYR 74 HH TYR 74 -12.098 -2.527 5.712 540 H ASN 75 H ASN 75 -17.284 -6.720 -0.363 541 HA ASN 75 HA ASN 75 -18.045 -7.616 -2.305 542 HB2 ASN 75 2HB ASN 75 -18.014 -4.704 -3.096 543 HB3 ASN 75 1HB ASN 75 -18.741 -5.978 -4.073 544 HD21 ASN 75 1HD2 ASN 75 -20.785 -5.089 -3.916 545 HD22 ASN 75 2HD2 ASN 75 -21.709 -5.145 -2.457 546 H ILE 76 H ILE 76 -15.099 -7.203 -1.910 547 HA ILE 76 HA ILE 76 -13.835 -6.594 -4.340 548 HB ILE 76 HB ILE 76 -12.873 -8.558 -2.258 549 HG12 ILE 76 2HG1 ILE 76 -13.475 -6.432 -1.217 550 HG13 ILE 76 1HG1 ILE 76 -11.736 -6.654 -1.215 551 HG21 ILE 76 1HG2 ILE 76 -11.555 -8.736 -4.222 552 HG22 ILE 76 2HG2 ILE 76 -10.626 -7.794 -3.057 553 HG23 ILE 76 3HG2 ILE 76 -11.451 -6.985 -4.386 554 HD11 ILE 76 3HD1 ILE 76 -11.499 -5.107 -3.054 555 HD12 ILE 76 1HD1 ILE 76 -12.407 -4.353 -1.745 556 HD13 ILE 76 2HD1 ILE 76 -13.251 -4.946 -3.175 557 H THR 77 H THR 77 -13.929 -7.619 -6.236 558 HA THR 77 HA THR 77 -14.101 -10.545 -6.272 559 HB THR 77 HB THR 77 -15.766 -10.474 -8.106 560 HG1 THR 77 1HG THR 77 -15.415 -7.751 -7.729 561 HG21 THR 77 3HG2 THR 77 -17.717 -9.936 -6.711 562 HG22 THR 77 1HG2 THR 77 -16.652 -9.164 -5.535 563 HG23 THR 77 2HG2 THR 77 -16.524 -10.897 -5.837 564 H GLY 78 H GLY 78 -11.742 -9.493 -6.693 565 HA2 GLY 78 2HA GLY 78 -10.765 -10.393 -9.034 566 HA3 GLY 78 1HA GLY 78 -11.335 -8.791 -9.478 567 H ASN 79 H ASN 79 -9.782 -9.903 -6.482 568 HA ASN 79 HA ASN 79 -7.989 -9.087 -5.337 569 HB2 ASN 79 2HB ASN 79 -6.867 -8.821 -8.131 570 HB3 ASN 79 1HB ASN 79 -5.925 -8.841 -6.644 571 HD21 ASN 79 1HD2 ASN 79 -7.806 -10.716 -8.875 572 HD22 ASN 79 2HD2 ASN 79 -7.323 -12.269 -8.296 573 H THR 80 H THR 80 -9.963 -7.239 -5.741 574 HA THR 80 HA THR 80 -9.110 -4.788 -6.867 575 HB THR 80 HB THR 80 -11.231 -5.347 -4.776 576 HG1 THR 80 1HG THR 80 -11.403 -6.351 -6.940 577 HG21 THR 80 3HG2 THR 80 -10.937 -2.927 -6.561 578 HG22 THR 80 1HG2 THR 80 -10.567 -2.962 -4.838 579 HG23 THR 80 2HG2 THR 80 -12.221 -3.220 -5.390 580 H ILE 81 H ILE 81 -8.546 -2.847 -5.845 581 HA ILE 81 HA ILE 81 -7.387 -3.076 -3.140 582 HB ILE 81 HB ILE 81 -6.416 -1.428 -5.486 583 HG12 ILE 81 2HG1 ILE 81 -5.125 -3.680 -3.934 584 HG13 ILE 81 1HG1 ILE 81 -5.756 -3.786 -5.573 585 HG21 ILE 81 1HG2 ILE 81 -4.681 -0.575 -4.020 586 HG22 ILE 81 2HG2 ILE 81 -5.346 -1.487 -2.667 587 HG23 ILE 81 3HG2 ILE 81 -6.274 -0.167 -3.380 588 HD11 ILE 81 3HD1 ILE 81 -3.406 -2.164 -4.635 589 HD12 ILE 81 1HD1 ILE 81 -4.081 -2.101 -6.264 590 HD13 ILE 81 2HD1 ILE 81 -3.376 -3.602 -5.656 591 H CYS 82 H CYS 82 -8.467 -1.853 -1.698 592 HA CYS 82 HA CYS 82 -10.045 0.377 -2.770 593 HB2 CYS 82 2HB CYS 82 -10.436 -1.197 -0.231 594 HB3 CYS 82 1HB CYS 82 -11.434 0.161 -0.736 595 HG CYS 82 HG CYS 82 -12.652 -2.437 -1.146 596 H LEU 83 H LEU 83 -9.767 2.388 -2.141 597 HA LEU 83 HA LEU 83 -7.832 2.943 -0.006 598 HB2 LEU 83 2HB LEU 83 -6.947 3.936 -1.887 599 HB3 LEU 83 1HB LEU 83 -8.514 4.288 -2.577 600 HG LEU 83 HG LEU 83 -8.808 6.188 -1.129 601 HD11 LEU 83 1HD1 LEU 83 -7.362 6.846 0.595 602 HD12 LEU 83 2HD1 LEU 83 -6.112 5.701 0.097 603 HD13 LEU 83 3HD1 LEU 83 -7.602 5.114 0.836 604 HD21 LEU 83 3HD2 LEU 83 -6.888 7.580 -1.827 605 HD22 LEU 83 1HD2 LEU 83 -7.568 6.618 -3.139 606 HD23 LEU 83 2HD2 LEU 83 -6.064 6.117 -2.364 607 H PHE 84 H PHE 84 -9.026 3.185 1.827 608 HA PHE 84 HA PHE 84 -11.497 4.740 1.698 609 HB2 PHE 84 2HB PHE 84 -11.284 2.478 2.916 610 HB3 PHE 84 1HB PHE 84 -10.420 3.378 4.158 611 HD1 PHE 84 2HD PHE 84 -11.648 5.469 5.107 612 HD2 PHE 84 1HD PHE 84 -13.579 2.297 3.025 613 HE1 PHE 84 2HE PHE 84 -13.792 6.109 6.129 614 HE2 PHE 84 1HE PHE 84 -15.727 2.932 4.043 615 HZ PHE 84 HZ PHE 84 -15.835 4.839 5.597 616 H ARG 85 H ARG 85 -11.519 6.818 2.212 617 HA ARG 85 HA ARG 85 -9.255 7.923 3.736 618 HB2 ARG 85 2HB ARG 85 -11.142 9.787 2.435 619 HB3 ARG 85 1HB ARG 85 -9.385 9.811 2.492 620 HG2 ARG 85 2HG ARG 85 -9.298 8.087 0.763 621 HG3 ARG 85 1HG ARG 85 -11.067 8.088 0.691 622 HD2 ARG 85 2HD ARG 85 -9.186 10.322 -0.042 623 HD3 ARG 85 1HD ARG 85 -10.283 9.441 -1.105 624 HE ARG 85 HE ARG 85 -11.694 10.759 0.983 625 HH11 ARG 85 1HH1 ARG 85 -10.107 11.287 -2.075 626 HH12 ARG 85 2HH1 ARG 85 -11.048 12.686 -2.469 627 HH21 ARG 85 1HH2 ARG 85 -12.939 12.604 0.471 628 HH22 ARG 85 2HH2 ARG 85 -12.659 13.435 -1.023 629 H LEU 86 H LEU 86 -9.791 7.760 5.808 630 HA LEU 86 HA LEU 86 -12.172 7.693 7.094 631 HB2 LEU 86 2HB LEU 86 -10.393 7.283 8.462 632 HB3 LEU 86 1HB LEU 86 -9.461 8.630 7.843 633 HG LEU 86 HG LEU 86 -10.980 10.166 9.121 634 HD11 LEU 86 1HD1 LEU 86 -12.317 9.216 10.923 635 HD12 LEU 86 2HD1 LEU 86 -11.909 7.588 10.382 636 HD13 LEU 86 3HD1 LEU 86 -12.879 8.642 9.353 637 HD21 LEU 86 3HD2 LEU 86 -8.800 9.651 9.978 638 HD22 LEU 86 1HD2 LEU 86 -9.375 8.119 10.640 639 HD23 LEU 86 2HD2 LEU 86 -9.951 9.642 11.315 640 H VAL 87 H VAL 87 -10.350 10.702 6.489 641 HA VAL 87 HA VAL 87 -11.890 12.553 7.720 642 HB VAL 87 HB VAL 87 -11.443 13.886 5.393 643 HG11 VAL 87 1HG1 VAL 87 -9.324 14.614 6.454 644 HG12 VAL 87 2HG1 VAL 87 -9.517 13.323 7.640 645 HG13 VAL 87 3HG1 VAL 87 -10.702 14.625 7.555 646 HG21 VAL 87 3HG2 VAL 87 -9.431 11.652 5.572 647 HG22 VAL 87 1HG2 VAL 87 -9.224 13.107 4.592 648 HG23 VAL 87 2HG2 VAL 87 -10.544 11.990 4.240 649 H ASP 88 H ASP 88 -12.402 11.788 4.276 650 HA ASP 88 HA ASP 88 -15.129 12.779 4.538 651 HB2 ASP 88 2HB ASP 88 -13.355 12.230 2.172 652 HB3 ASP 88 1HB ASP 88 -15.081 12.541 1.985 653 H ASN 89 H ASN 89 -14.039 10.083 5.406 654 HA ASN 89 HA ASN 89 -14.590 7.869 5.338 655 HB2 ASN 89 2HB ASN 89 -16.903 7.466 5.747 656 HB3 ASN 89 1HB ASN 89 -16.528 9.043 6.434 657 HD21 ASN 89 1HD2 ASN 89 -17.385 10.885 5.513 658 HD22 ASN 89 2HD2 ASN 89 -18.674 10.835 4.362 659 H GLU 90 H GLU 90 -13.859 8.945 2.730 660 HA GLU 90 HA GLU 90 -15.632 7.820 0.778 661 HB2 GLU 90 2HB GLU 90 -12.762 8.723 0.508 662 HB3 GLU 90 1HB GLU 90 -13.841 8.342 -0.827 663 HG2 GLU 90 2HG GLU 90 -14.344 10.517 1.184 664 HG3 GLU 90 1HG GLU 90 -13.567 10.761 -0.377 665 H GLN 91 H GLN 91 -15.018 6.121 -0.728 666 HA GLN 91 HA GLN 91 -13.031 4.212 0.219 667 HB2 GLN 91 2HB GLN 91 -15.170 3.613 1.346 668 HB3 GLN 91 1HB GLN 91 -15.911 3.410 -0.236 669 HG2 GLN 91 2HG GLN 91 -13.581 1.854 -0.267 670 HG3 GLN 91 1HG GLN 91 -14.348 1.562 1.293 671 HE21 GLN 91 1HE2 GLN 91 -14.954 -0.521 0.799 672 HE22 GLN 91 2HE2 GLN 91 -16.196 -0.891 -0.343 673 H LEU 92 H LEU 92 -11.943 4.791 -1.701 674 HA LEU 92 HA LEU 92 -13.171 4.488 -4.270 675 HB2 LEU 92 2HB LEU 92 -10.249 4.695 -3.531 676 HB3 LEU 92 1HB LEU 92 -10.890 4.807 -5.155 677 HG LEU 92 HG LEU 92 -10.446 7.019 -4.521 678 HD11 LEU 92 1HD1 LEU 92 -13.372 6.551 -3.989 679 HD12 LEU 92 2HD1 LEU 92 -12.621 6.806 -5.565 680 HD13 LEU 92 3HD1 LEU 92 -12.631 8.105 -4.370 681 HD21 LEU 92 3HD2 LEU 92 -11.999 6.756 -1.974 682 HD22 LEU 92 1HD2 LEU 92 -10.849 8.004 -2.449 683 HD23 LEU 92 2HD2 LEU 92 -10.277 6.384 -2.052 684 H ASN 93 H ASN 93 -12.888 2.831 -5.765 685 HA ASN 93 HA ASN 93 -11.707 0.355 -4.680 686 HB2 ASN 93 2HB ASN 93 -13.458 -0.740 -6.297 687 HB3 ASN 93 1HB ASN 93 -13.944 -0.214 -4.693 688 HD21 ASN 93 1HD2 ASN 93 -16.081 0.043 -5.292 689 HD22 ASN 93 2HD2 ASN 93 -16.613 1.333 -6.310 690 H LEU 94 H LEU 94 -10.134 -0.462 -5.788 691 HA LEU 94 HA LEU 94 -9.812 0.240 -8.630 692 HB2 LEU 94 2HB LEU 94 -8.040 0.903 -6.829 693 HB3 LEU 94 1HB LEU 94 -7.612 -0.797 -6.856 694 HG LEU 94 HG LEU 94 -7.698 0.602 -9.468 695 HD11 LEU 94 1HD1 LEU 94 -5.520 1.032 -7.425 696 HD12 LEU 94 2HD1 LEU 94 -6.591 2.264 -8.095 697 HD13 LEU 94 3HD1 LEU 94 -5.412 1.460 -9.133 698 HD21 LEU 94 3HD2 LEU 94 -5.871 -0.881 -9.944 699 HD22 LEU 94 1HD2 LEU 94 -7.165 -1.804 -9.183 700 HD23 LEU 94 2HD2 LEU 94 -5.745 -1.340 -8.246 701 H GLU 95 H GLU 95 -11.348 -1.467 -9.033 702 HA GLU 95 HA GLU 95 -10.772 -4.162 -8.247 703 HB2 GLU 95 2HB GLU 95 -12.781 -3.214 -10.278 704 HB3 GLU 95 1HB GLU 95 -12.775 -4.748 -9.417 705 HG2 GLU 95 2HG GLU 95 -13.266 -3.675 -7.351 706 HG3 GLU 95 1HG GLU 95 -13.049 -2.076 -8.065 707 H ASP 96 H ASP 96 -11.528 -5.614 -10.419 708 HA ASP 96 HA ASP 96 -9.204 -6.332 -11.646 709 HB2 ASP 96 2HB ASP 96 -10.887 -7.108 -13.554 710 HB3 ASP 96 1HB ASP 96 -10.831 -7.901 -11.983 711 H GLU 97 H GLU 97 -11.670 -4.201 -13.085 712 HA GLU 97 HA GLU 97 -10.543 -3.693 -15.524 713 HB2 GLU 97 2HB GLU 97 -12.713 -2.788 -14.785 714 HB3 GLU 97 1HB GLU 97 -11.879 -1.659 -13.728 715 HG2 GLU 97 2HG GLU 97 -10.817 -0.640 -15.706 716 HG3 GLU 97 1HG GLU 97 -11.746 -1.729 -16.733 717 H ASP 98 H ASP 98 -9.268 -2.886 -12.475 718 HA ASP 98 HA ASP 98 -7.191 -1.232 -13.736 719 HB2 ASP 98 2HB ASP 98 -8.287 -0.938 -10.928 720 HB3 ASP 98 1HB ASP 98 -7.011 0.039 -11.651 721 H ILE 99 H ILE 99 -7.906 -4.032 -11.961 722 HA ILE 99 HA ILE 99 -5.269 -4.234 -10.732 723 HB ILE 99 HB ILE 99 -7.701 -6.013 -10.585 724 HG12 ILE 99 2HG1 ILE 99 -7.704 -3.851 -9.349 725 HG13 ILE 99 1HG1 ILE 99 -7.861 -5.266 -8.320 726 HG21 ILE 99 1HG2 ILE 99 -6.415 -7.228 -8.799 727 HG22 ILE 99 2HG2 ILE 99 -4.966 -6.415 -9.389 728 HG23 ILE 99 3HG2 ILE 99 -5.856 -7.509 -10.448 729 HD11 ILE 99 3HD1 ILE 99 -5.468 -5.094 -7.776 730 HD12 ILE 99 1HD1 ILE 99 -6.386 -3.664 -7.304 731 HD13 ILE 99 2HD1 ILE 99 -5.377 -3.627 -8.751 732 H GLU 100 H GLU 100 -7.217 -5.902 -13.181 733 HA GLU 100 HA GLU 100 -5.575 -8.019 -13.802 734 HB2 GLU 100 2HB GLU 100 -7.168 -6.337 -15.745 735 HB3 GLU 100 1HB GLU 100 -6.569 -7.961 -16.050 736 HG2 GLU 100 2HG GLU 100 -8.572 -7.198 -13.936 737 HG3 GLU 100 1HG GLU 100 -8.942 -7.950 -15.487 738 H SER 101 H SER 101 -5.247 -4.649 -14.723 739 HA SER 101 HA SER 101 -2.604 -5.276 -15.861 740 HB2 SER 101 2HB SER 101 -4.209 -4.697 -17.663 741 HB3 SER 101 1HB SER 101 -4.515 -3.152 -16.870 742 HG SER 101 HG SER 101 -2.860 -2.453 -17.938 743 H ILE 102 H ILE 102 -3.150 -4.596 -13.178 744 HA ILE 102 HA ILE 102 -2.823 -1.840 -12.651 745 HB ILE 102 HB ILE 102 -3.707 -3.403 -10.978 746 HG12 ILE 102 2HG1 ILE 102 -2.295 -2.573 -9.045 747 HG13 ILE 102 1HG1 ILE 102 -1.205 -1.881 -10.240 748 HG21 ILE 102 1HG2 ILE 102 -2.328 -5.338 -11.387 749 HG22 ILE 102 2HG2 ILE 102 -2.118 -4.828 -9.711 750 HG23 ILE 102 3HG2 ILE 102 -0.878 -4.453 -10.909 751 HD11 ILE 102 3HD1 ILE 102 -4.118 -1.200 -10.135 752 HD12 ILE 102 1HD1 ILE 102 -2.829 -0.357 -10.990 753 HD13 ILE 102 2HD1 ILE 102 -2.894 -0.317 -9.227 754 H ASP 103 H ASP 103 -1.050 -0.648 -12.123 755 HA ASP 103 HA ASP 103 1.589 -1.897 -12.295 756 HB2 ASP 103 2HB ASP 103 0.902 0.661 -13.751 757 HB3 ASP 103 1HB ASP 103 2.446 -0.182 -13.762 758 H ALA 104 H ALA 104 3.200 -0.800 -11.081 759 HA ALA 104 HA ALA 104 2.440 0.308 -8.699 760 HB1 ALA 104 1HB ALA 104 4.681 -0.482 -9.085 761 HB2 ALA 104 2HB ALA 104 4.723 1.177 -8.487 762 HB3 ALA 104 3HB ALA 104 4.991 0.850 -10.200 763 H THR 105 H THR 105 3.017 1.947 -11.745 764 HA THR 105 HA THR 105 2.864 4.601 -10.834 765 HB THR 105 HB THR 105 2.060 3.463 -13.517 766 HG1 THR 105 1HG THR 105 4.414 3.586 -12.439 767 HG21 THR 105 3HG2 THR 105 2.459 5.794 -14.309 768 HG22 THR 105 1HG2 THR 105 2.550 6.293 -12.620 769 HG23 THR 105 2HG2 THR 105 1.052 5.613 -13.258 770 H LYS 106 H LYS 106 0.376 2.423 -12.126 771 HA LYS 106 HA LYS 106 -1.788 4.180 -12.008 772 HB2 LYS 106 2HB LYS 106 -1.801 1.174 -11.652 773 HB3 LYS 106 1HB LYS 106 -3.200 2.167 -12.046 774 HG2 LYS 106 2HG LYS 106 -2.265 2.751 -14.171 775 HG3 LYS 106 1HG LYS 106 -0.745 1.949 -13.773 776 HD2 LYS 106 2HD LYS 106 -1.932 0.447 -15.170 777 HD3 LYS 106 1HD LYS 106 -2.094 -0.183 -13.529 778 HE2 LYS 106 2HE LYS 106 -4.229 -0.310 -14.632 779 HE3 LYS 106 1HE LYS 106 -4.304 0.918 -13.369 780 HZ1 LYS 106 3HZ LYS 106 -3.915 1.445 -16.266 781 HZ2 LYS 106 1HZ LYS 106 -3.999 2.621 -15.052 782 HZ3 LYS 106 2HZ LYS 106 -5.356 1.676 -15.409 783 H LEU 107 H LEU 107 -0.948 1.623 -9.635 784 HA LEU 107 HA LEU 107 -2.856 2.207 -7.731 785 HB2 LEU 107 2HB LEU 107 -0.655 0.539 -7.874 786 HB3 LEU 107 1HB LEU 107 -0.242 1.613 -6.554 787 HG LEU 107 HG LEU 107 -2.471 -0.379 -6.737 788 HD11 LEU 107 1HD1 LEU 107 -0.286 0.252 -4.770 789 HD12 LEU 107 2HD1 LEU 107 -0.521 -1.220 -5.712 790 HD13 LEU 107 3HD1 LEU 107 -1.625 -0.835 -4.394 791 HD21 LEU 107 3HD2 LEU 107 -3.613 1.650 -6.090 792 HD22 LEU 107 1HD2 LEU 107 -2.389 1.985 -4.865 793 HD23 LEU 107 2HD2 LEU 107 -3.456 0.591 -4.690 794 H SER 108 H SER 108 0.490 3.428 -7.809 795 HA SER 108 HA SER 108 0.278 5.218 -5.684 796 HB2 SER 108 2HB SER 108 2.022 5.401 -8.151 797 HB3 SER 108 1HB SER 108 2.260 6.327 -6.667 798 HG SER 108 HG SER 108 3.272 4.667 -5.898 799 H ARG 109 H ARG 109 -0.735 5.490 -9.000 800 HA ARG 109 HA ARG 109 -1.065 8.308 -9.035 801 HB2 ARG 109 2HB ARG 109 -0.830 6.886 -11.075 802 HB3 ARG 109 1HB ARG 109 -2.423 6.226 -10.754 803 HG2 ARG 109 2HG ARG 109 -2.030 9.173 -11.082 804 HG3 ARG 109 1HG ARG 109 -2.184 8.112 -12.485 805 HD2 ARG 109 2HD ARG 109 -4.310 7.243 -11.420 806 HD3 ARG 109 1HD ARG 109 -4.178 8.586 -10.280 807 HE ARG 109 HE ARG 109 -4.069 9.896 -12.578 808 HH11 ARG 109 1HH1 ARG 109 -6.158 7.282 -11.606 809 HH12 ARG 109 2HH1 ARG 109 -7.477 7.793 -12.606 810 HH21 ARG 109 1HH2 ARG 109 -5.803 10.578 -13.897 811 HH22 ARG 109 2HH2 ARG 109 -7.275 9.667 -13.908 812 H PHE 110 H PHE 110 -3.531 5.742 -9.143 813 HA PHE 110 HA PHE 110 -5.773 7.172 -8.616 814 HB2 PHE 110 2HB PHE 110 -4.956 4.403 -7.805 815 HB3 PHE 110 1HB PHE 110 -6.484 5.061 -7.225 816 HD1 PHE 110 1HD PHE 110 -4.571 4.210 -10.272 817 HD2 PHE 110 2HD PHE 110 -8.372 5.176 -8.620 818 HE1 PHE 110 1HE PHE 110 -5.647 3.587 -12.394 819 HE2 PHE 110 2HE PHE 110 -9.456 4.552 -10.739 820 HZ PHE 110 HZ PHE 110 -8.093 3.758 -12.630 821 H ILE 111 H ILE 111 -3.424 6.002 -6.240 822 HA ILE 111 HA ILE 111 -4.757 6.967 -3.950 823 HB ILE 111 HB ILE 111 -1.802 6.534 -4.427 824 HG12 ILE 111 2HG1 ILE 111 -3.761 4.821 -2.891 825 HG13 ILE 111 1HG1 ILE 111 -3.375 4.559 -4.585 826 HG21 ILE 111 1HG2 ILE 111 -1.585 6.543 -1.987 827 HG22 ILE 111 2HG2 ILE 111 -3.286 6.982 -1.843 828 HG23 ILE 111 3HG2 ILE 111 -2.148 8.100 -2.600 829 HD11 ILE 111 3HD1 ILE 111 -1.031 4.209 -3.992 830 HD12 ILE 111 1HD1 ILE 111 -2.099 3.069 -3.174 831 HD13 ILE 111 2HD1 ILE 111 -1.438 4.444 -2.292 832 H GLU 112 H GLU 112 -2.041 8.342 -5.797 833 HA GLU 112 HA GLU 112 -1.848 10.773 -4.481 834 HB2 GLU 112 2HB GLU 112 -0.279 9.853 -6.235 835 HB3 GLU 112 1HB GLU 112 -1.447 10.372 -7.449 836 HG2 GLU 112 2HG GLU 112 0.246 12.034 -7.306 837 HG3 GLU 112 1HG GLU 112 -1.215 12.690 -6.571 838 H ILE 113 H ILE 113 -4.304 9.581 -6.489 839 HA ILE 113 HA ILE 113 -5.322 12.182 -7.259 840 HB ILE 113 HB ILE 113 -5.770 9.405 -8.082 841 HG12 ILE 113 2HG1 ILE 113 -6.066 10.461 -10.269 842 HG13 ILE 113 1HG1 ILE 113 -6.100 12.050 -9.509 843 HG21 ILE 113 1HG2 ILE 113 -7.972 9.717 -7.241 844 HG22 ILE 113 2HG2 ILE 113 -8.031 9.862 -8.996 845 HG23 ILE 113 3HG2 ILE 113 -8.093 11.309 -7.989 846 HD11 ILE 113 3HD1 ILE 113 -3.759 10.159 -9.472 847 HD12 ILE 113 1HD1 ILE 113 -3.800 11.792 -8.810 848 HD13 ILE 113 2HD1 ILE 113 -3.942 11.543 -10.550 849 H ASN 114 H ASN 114 -6.151 9.543 -5.044 850 HA ASN 114 HA ASN 114 -8.241 11.295 -3.925 851 HB2 ASN 114 2HB ASN 114 -8.280 8.298 -4.245 852 HB3 ASN 114 1HB ASN 114 -9.412 9.178 -3.221 853 HD21 ASN 114 1HD2 ASN 114 -9.642 11.459 -4.927 854 HD22 ASN 114 2HD2 ASN 114 -10.557 10.973 -6.310 855 H SER 115 H SER 115 -5.405 11.029 -3.128 856 HA SER 115 HA SER 115 -5.481 9.652 -0.590 857 HB2 SER 115 2HB SER 115 -3.193 10.537 -0.301 858 HB3 SER 115 1HB SER 115 -3.389 9.745 -1.866 859 HG SER 115 HG SER 115 -3.072 12.457 -1.260 860 H LEU 116 H LEU 116 -7.544 11.292 -0.507 861 HA LEU 116 HA LEU 116 -6.712 13.680 0.987 862 HB2 LEU 116 2HB LEU 116 -9.417 13.053 -0.182 863 HB3 LEU 116 1HB LEU 116 -8.897 14.579 0.513 864 HG LEU 116 HG LEU 116 -7.843 13.340 -2.028 865 HD11 LEU 116 1HD1 LEU 116 -9.613 15.736 -1.567 866 HD12 LEU 116 2HD1 LEU 116 -10.094 14.201 -2.292 867 HD13 LEU 116 3HD1 LEU 116 -8.939 15.243 -3.121 868 HD21 LEU 116 3HD2 LEU 116 -6.739 15.585 -2.283 869 HD22 LEU 116 1HD2 LEU 116 -6.062 14.552 -1.025 870 HD23 LEU 116 2HD2 LEU 116 -7.128 15.887 -0.590 Start of MODEL 48 1 H GLU 1 H GLU 1 10.687 -17.113 -1.586 2 HA GLU 1 HA GLU 1 11.531 -19.152 -3.367 3 HB2 GLU 1 2HB GLU 1 13.428 -16.799 -3.243 4 HB3 GLU 1 1HB GLU 1 13.799 -18.368 -3.946 5 HG2 GLU 1 2HG GLU 1 12.103 -18.043 -5.641 6 HG3 GLU 1 1HG GLU 1 11.638 -16.507 -4.911 7 H VAL 2 H VAL 2 11.243 -20.227 -1.365 8 HA VAL 2 HA VAL 2 11.905 -21.159 0.602 9 HB VAL 2 HB VAL 2 14.658 -20.275 -0.150 10 HG11 VAL 2 1HG1 VAL 2 13.676 -22.592 1.498 11 HG12 VAL 2 2HG1 VAL 2 14.472 -21.140 2.107 12 HG13 VAL 2 3HG1 VAL 2 15.360 -22.272 1.086 13 HG21 VAL 2 3HG2 VAL 2 14.891 -22.407 -1.331 14 HG22 VAL 2 1HG2 VAL 2 13.644 -21.392 -2.056 15 HG23 VAL 2 2HG2 VAL 2 13.188 -22.749 -1.027 16 H GLU 3 H GLU 3 10.743 -19.403 1.692 17 HA GLU 3 HA GLU 3 12.588 -17.650 3.177 18 HB2 GLU 3 2HB GLU 3 9.721 -17.076 2.402 19 HB3 GLU 3 1HB GLU 3 10.745 -16.024 3.369 20 HG2 GLU 3 2HG GLU 3 12.267 -15.769 1.471 21 HG3 GLU 3 1HG GLU 3 11.224 -16.807 0.502 22 H LYS 4 H LYS 4 12.680 -19.614 4.585 23 HA LYS 4 HA LYS 4 10.312 -20.115 6.194 24 HB2 LYS 4 2HB LYS 4 13.093 -21.292 6.345 25 HB3 LYS 4 1HB LYS 4 11.718 -21.818 7.307 26 HG2 LYS 4 2HG LYS 4 10.551 -22.527 5.305 27 HG3 LYS 4 1HG LYS 4 11.878 -21.937 4.302 28 HD2 LYS 4 2HD LYS 4 13.391 -23.542 5.382 29 HD3 LYS 4 1HD LYS 4 12.049 -24.141 6.359 30 HE2 LYS 4 2HE LYS 4 12.191 -24.213 3.345 31 HE3 LYS 4 1HE LYS 4 12.506 -25.579 4.416 32 HZ1 LYS 4 3HZ LYS 4 10.236 -25.460 5.203 33 HZ2 LYS 4 1HZ LYS 4 10.253 -25.620 3.519 34 HZ3 LYS 4 2HZ LYS 4 9.927 -24.117 4.223 35 H SER 5 H SER 5 13.252 -18.302 6.343 36 HA SER 5 HA SER 5 12.413 -16.920 8.688 37 HB2 SER 5 2HB SER 5 13.289 -18.963 9.758 38 HB3 SER 5 1HB SER 5 14.841 -18.710 8.960 39 HG SER 5 HG SER 5 14.219 -17.819 11.272 40 H SER 6 H SER 6 13.019 -16.069 6.139 41 HA SER 6 HA SER 6 15.287 -14.310 6.681 42 HB2 SER 6 2HB SER 6 16.242 -16.136 5.353 43 HB3 SER 6 1HB SER 6 15.003 -15.903 4.121 44 HG SER 6 HG SER 6 16.198 -13.565 4.596 45 H ASP 7 H ASP 7 14.525 -12.316 6.509 46 HA ASP 7 HA ASP 7 12.155 -11.755 4.959 47 HB2 ASP 7 2HB ASP 7 12.487 -10.703 7.160 48 HB3 ASP 7 1HB ASP 7 13.929 -9.893 6.555 49 H GLY 8 H GLY 8 15.545 -11.601 4.499 50 HA2 GLY 8 2HA GLY 8 16.472 -11.334 2.318 51 HA3 GLY 8 1HA GLY 8 15.107 -10.313 1.897 52 HA PRO 9 HA PRO 9 19.034 -7.870 3.220 53 HB2 PRO 9 2HB PRO 9 18.962 -7.011 0.388 54 HB3 PRO 9 1HB PRO 9 20.342 -7.480 1.386 55 HG2 PRO 9 2HG PRO 9 19.419 -9.088 -0.538 56 HG3 PRO 9 1HG PRO 9 20.024 -9.739 0.998 57 HD2 PRO 9 2HD PRO 9 17.200 -9.361 0.080 58 HD3 PRO 9 1HD PRO 9 17.919 -10.705 0.994 59 H GLY 10 H GLY 10 16.531 -7.020 0.824 60 HA2 GLY 10 2HA GLY 10 16.190 -4.453 2.249 61 HA3 GLY 10 1HA GLY 10 15.931 -4.653 0.523 62 H ALA 11 H ALA 11 14.035 -3.538 2.260 63 HA ALA 11 HA ALA 11 11.751 -5.101 1.597 64 HB1 ALA 11 1HB ALA 11 12.422 -4.895 4.533 65 HB2 ALA 11 2HB ALA 11 12.484 -6.368 3.565 66 HB3 ALA 11 3HB ALA 11 10.940 -5.562 3.849 67 H ALA 12 H ALA 12 12.647 -2.822 4.187 68 HA ALA 12 HA ALA 12 11.837 -0.785 4.778 69 HB1 ALA 12 1HB ALA 12 12.887 -0.251 2.592 70 HB2 ALA 12 2HB ALA 12 11.559 0.827 3.029 71 HB3 ALA 12 3HB ALA 12 11.307 -0.445 1.835 72 H GLN 13 H GLN 13 10.095 -1.499 5.960 73 HA GLN 13 HA GLN 13 7.955 -1.853 6.585 74 HB2 GLN 13 2HB GLN 13 6.400 -0.100 6.050 75 HB3 GLN 13 1HB GLN 13 7.996 0.587 6.304 76 HG2 GLN 13 2HG GLN 13 8.287 0.768 3.871 77 HG3 GLN 13 1HG GLN 13 6.666 0.113 3.641 78 HE21 GLN 13 1HE2 GLN 13 5.578 1.511 5.946 79 HE22 GLN 13 2HE2 GLN 13 5.429 3.169 5.480 80 H GLU 14 H GLU 14 5.621 -2.174 5.871 81 HA GLU 14 HA GLU 14 5.143 -3.153 3.228 82 HB2 GLU 14 2HB GLU 14 4.874 -5.492 3.737 83 HB3 GLU 14 1HB GLU 14 6.489 -5.005 4.230 84 HG2 GLU 14 2HG GLU 14 5.747 -4.862 6.548 85 HG3 GLU 14 1HG GLU 14 4.121 -5.339 6.055 86 HA PRO 15 HA PRO 15 0.986 -2.358 4.458 87 HB2 PRO 15 2HB PRO 15 -0.458 -4.228 3.114 88 HB3 PRO 15 1HB PRO 15 0.291 -2.832 2.332 89 HG2 PRO 15 2HG PRO 15 1.237 -5.662 2.473 90 HG3 PRO 15 1HG PRO 15 1.269 -4.533 1.107 91 HD2 PRO 15 2HD PRO 15 3.450 -5.069 2.633 92 HD3 PRO 15 1HD PRO 15 3.187 -3.507 1.837 93 H THR 16 H THR 16 -0.553 -2.880 5.945 94 HA THR 16 HA THR 16 0.065 -4.880 7.857 95 HB THR 16 HB THR 16 -2.540 -3.370 7.579 96 HG1 THR 16 1HG THR 16 -0.271 -2.256 7.829 97 HG21 THR 16 3HG2 THR 16 -2.620 -5.252 9.142 98 HG22 THR 16 1HG2 THR 16 -2.694 -3.714 10.002 99 HG23 THR 16 2HG2 THR 16 -1.189 -4.634 9.967 100 H TRP 17 H TRP 17 -1.162 -6.692 8.493 101 HA TRP 17 HA TRP 17 -2.469 -8.036 6.252 102 HB2 TRP 17 2HB TRP 17 -1.465 -9.084 8.905 103 HB3 TRP 17 1HB TRP 17 -2.212 -10.077 7.658 104 HD1 TRP 17 HD TRP 17 1.024 -8.213 8.468 105 HE1 TRP 17 1HE TRP 17 2.856 -8.994 6.838 106 HE3 TRP 17 3HE TRP 17 -1.845 -11.029 5.309 107 HZ2 TRP 17 2HZ TRP 17 3.058 -10.593 4.521 108 HZ3 TRP 17 3HZ TRP 17 -0.755 -12.150 3.410 109 HH2 TRP 17 HH TRP 17 1.647 -11.935 3.024 110 H LEU 18 H LEU 18 -4.466 -6.937 6.337 111 HA LEU 18 HA LEU 18 -6.072 -7.005 8.740 112 HB2 LEU 18 2HB LEU 18 -6.878 -6.235 5.936 113 HB3 LEU 18 1HB LEU 18 -7.739 -5.858 7.416 114 HG LEU 18 HG LEU 18 -4.994 -4.821 6.720 115 HD11 LEU 18 1HD1 LEU 18 -7.687 -3.492 6.560 116 HD12 LEU 18 2HD1 LEU 18 -6.614 -3.879 5.217 117 HD13 LEU 18 3HD1 LEU 18 -6.141 -2.663 6.403 118 HD21 LEU 18 3HD2 LEU 18 -5.251 -4.931 9.088 119 HD22 LEU 18 1HD2 LEU 18 -6.872 -4.242 9.000 120 HD23 LEU 18 2HD2 LEU 18 -5.468 -3.251 8.602 121 H THR 19 H THR 19 -5.852 -9.414 8.839 122 HA THR 19 HA THR 19 -7.193 -11.058 6.940 123 HB THR 19 HB THR 19 -6.898 -12.868 8.530 124 HG1 THR 19 1HG THR 19 -5.700 -11.193 10.429 125 HG21 THR 19 3HG2 THR 19 -4.944 -12.180 7.231 126 HG22 THR 19 1HG2 THR 19 -4.467 -12.757 8.827 127 HG23 THR 19 2HG2 THR 19 -4.505 -11.027 8.491 128 H ASP 20 H ASP 20 -8.504 -8.869 9.010 129 HA ASP 20 HA ASP 20 -11.045 -10.312 9.019 130 HB2 ASP 20 2HB ASP 20 -9.804 -9.053 11.470 131 HB3 ASP 20 1HB ASP 20 -11.476 -9.595 11.373 132 H VAL 21 H VAL 21 -12.877 -9.036 9.006 133 HA VAL 21 HA VAL 21 -12.729 -6.596 7.673 134 HB VAL 21 HB VAL 21 -15.034 -7.545 9.382 135 HG11 VAL 21 1HG1 VAL 21 -16.398 -6.219 7.824 136 HG12 VAL 21 2HG1 VAL 21 -14.924 -5.653 7.037 137 HG13 VAL 21 3HG1 VAL 21 -15.247 -5.225 8.717 138 HG21 VAL 21 3HG2 VAL 21 -15.896 -8.607 7.367 139 HG22 VAL 21 1HG2 VAL 21 -14.318 -9.270 7.789 140 HG23 VAL 21 2HG2 VAL 21 -14.461 -8.106 6.473 141 HA PRO 22 HA PRO 22 -13.686 -4.457 11.987 142 HB2 PRO 22 2HB PRO 22 -12.524 -5.806 14.099 143 HB3 PRO 22 1HB PRO 22 -14.240 -5.869 13.689 144 HG2 PRO 22 2HG PRO 22 -12.058 -7.799 13.017 145 HG3 PRO 22 1HG PRO 22 -13.723 -8.126 13.536 146 HD2 PRO 22 2HD PRO 22 -13.007 -8.345 10.972 147 HD3 PRO 22 1HD PRO 22 -14.595 -7.692 11.425 148 H ALA 23 H ALA 23 -10.760 -6.485 11.810 149 HA ALA 23 HA ALA 23 -9.000 -4.556 12.871 150 HB1 ALA 23 1HB ALA 23 -8.472 -6.969 12.718 151 HB2 ALA 23 2HB ALA 23 -7.212 -5.949 12.023 152 HB3 ALA 23 3HB ALA 23 -8.337 -6.801 10.966 153 H ALA 24 H ALA 24 -10.134 -5.267 9.663 154 HA ALA 24 HA ALA 24 -8.352 -3.637 8.207 155 HB1 ALA 24 1HB ALA 24 -10.103 -3.720 6.433 156 HB2 ALA 24 2HB ALA 24 -11.170 -4.528 7.582 157 HB3 ALA 24 3HB ALA 24 -9.671 -5.306 7.075 158 H MET 25 H MET 25 -11.716 -3.056 9.194 159 HA MET 25 HA MET 25 -11.839 -0.363 8.443 160 HB2 MET 25 2HB MET 25 -13.407 -1.738 10.630 161 HB3 MET 25 1HB MET 25 -13.857 -0.256 9.795 162 HG2 MET 25 2HG MET 25 -14.000 -1.533 7.688 163 HG3 MET 25 1HG MET 25 -13.648 -3.005 8.587 164 HE1 MET 25 3HE MET 25 -16.769 -3.342 10.907 165 HE2 MET 25 1HE MET 25 -15.258 -2.525 11.305 166 HE3 MET 25 2HE MET 25 -15.229 -4.044 10.412 167 H GLU 26 H GLU 26 -10.528 -1.909 11.274 168 HA GLU 26 HA GLU 26 -10.531 0.409 12.934 169 HB2 GLU 26 2HB GLU 26 -9.205 -2.270 13.057 170 HB3 GLU 26 1HB GLU 26 -8.642 -0.984 14.119 171 HG2 GLU 26 2HG GLU 26 -11.042 -0.719 14.855 172 HG3 GLU 26 1HG GLU 26 -11.368 -2.229 14.001 173 H PHE 27 H PHE 27 -7.998 -1.208 11.021 174 HA PHE 27 HA PHE 27 -5.998 0.682 11.539 175 HB2 PHE 27 2HB PHE 27 -6.419 -1.436 9.499 176 HB3 PHE 27 1HB PHE 27 -5.233 -0.189 9.120 177 HD1 PHE 27 2HD PHE 27 -6.102 -2.891 11.459 178 HD2 PHE 27 1HD PHE 27 -3.154 -0.064 10.270 179 HE1 PHE 27 2HE PHE 27 -4.443 -4.038 12.867 180 HE2 PHE 27 1HE PHE 27 -1.489 -1.202 11.677 181 HZ PHE 27 HZ PHE 27 -2.132 -3.192 12.979 182 H ILE 28 H ILE 28 -8.642 0.617 9.268 183 HA ILE 28 HA ILE 28 -7.774 2.860 7.721 184 HB ILE 28 HB ILE 28 -10.426 1.467 8.028 185 HG12 ILE 28 2HG1 ILE 28 -8.734 1.848 5.558 186 HG13 ILE 28 1HG1 ILE 28 -8.484 0.508 6.677 187 HG21 ILE 28 1HG2 ILE 28 -10.961 3.805 7.717 188 HG22 ILE 28 2HG2 ILE 28 -11.306 2.915 6.238 189 HG23 ILE 28 3HG2 ILE 28 -9.854 3.904 6.351 190 HD11 ILE 28 3HD1 ILE 28 -11.096 1.068 5.300 191 HD12 ILE 28 1HD1 ILE 28 -10.648 -0.369 6.220 192 HD13 ILE 28 2HD1 ILE 28 -9.866 -0.030 4.676 193 H ALA 29 H ALA 29 -9.819 2.377 10.537 194 HA ALA 29 HA ALA 29 -10.744 5.064 10.710 195 HB1 ALA 29 1HB ALA 29 -10.670 2.865 12.774 196 HB2 ALA 29 2HB ALA 29 -12.022 3.287 11.722 197 HB3 ALA 29 3HB ALA 29 -11.495 4.410 12.975 198 H ALA 30 H ALA 30 -7.834 3.482 11.573 199 HA ALA 30 HA ALA 30 -7.083 5.521 13.526 200 HB1 ALA 30 1HB ALA 30 -6.575 3.172 14.011 201 HB2 ALA 30 2HB ALA 30 -5.114 4.157 13.923 202 HB3 ALA 30 3HB ALA 30 -5.550 3.106 12.575 203 H THR 31 H THR 31 -7.449 6.239 10.720 204 HA THR 31 HA THR 31 -5.112 7.817 10.369 205 HB THR 31 HB THR 31 -4.174 5.702 9.561 206 HG1 THR 31 1HG THR 31 -4.639 7.267 7.254 207 HG21 THR 31 3HG2 THR 31 -5.784 4.346 8.706 208 HG22 THR 31 1HG2 THR 31 -5.236 5.072 7.198 209 HG23 THR 31 2HG2 THR 31 -6.687 5.680 7.991 210 H GLU 32 H GLU 32 -5.300 9.317 8.645 211 HA GLU 32 HA GLU 32 -7.988 10.041 7.994 212 HB2 GLU 32 2HB GLU 32 -5.963 11.576 8.358 213 HB3 GLU 32 1HB GLU 32 -5.499 11.161 6.713 214 HG2 GLU 32 2HG GLU 32 -7.563 12.073 5.862 215 HG3 GLU 32 1HG GLU 32 -8.121 12.401 7.503 216 H VAL 33 H VAL 33 -5.321 8.539 6.245 217 HA VAL 33 HA VAL 33 -7.202 7.848 4.092 218 HB VAL 33 HB VAL 33 -4.308 8.573 3.629 219 HG11 VAL 33 1HG1 VAL 33 -6.569 8.038 1.701 220 HG12 VAL 33 2HG1 VAL 33 -5.202 6.968 2.028 221 HG13 VAL 33 3HG1 VAL 33 -4.930 8.533 1.262 222 HG21 VAL 33 3HG2 VAL 33 -6.817 10.176 3.169 223 HG22 VAL 33 1HG2 VAL 33 -5.235 10.593 2.507 224 HG23 VAL 33 2HG2 VAL 33 -5.482 10.572 4.253 225 H ALA 34 H ALA 34 -7.112 5.746 3.412 226 HA ALA 34 HA ALA 34 -4.876 4.087 4.314 227 HB1 ALA 34 1HB ALA 34 -6.440 3.779 6.073 228 HB2 ALA 34 2HB ALA 34 -6.517 2.337 5.057 229 HB3 ALA 34 3HB ALA 34 -7.772 3.570 4.938 230 H VAL 35 H VAL 35 -4.176 2.792 2.782 231 HA VAL 35 HA VAL 35 -6.006 2.089 0.585 232 HB VAL 35 HB VAL 35 -3.024 2.546 0.539 233 HG11 VAL 35 1HG1 VAL 35 -3.457 0.534 -0.748 234 HG12 VAL 35 2HG1 VAL 35 -3.123 1.875 -1.844 235 HG13 VAL 35 3HG1 VAL 35 -4.782 1.329 -1.596 236 HG21 VAL 35 3HG2 VAL 35 -4.418 4.519 0.355 237 HG22 VAL 35 1HG2 VAL 35 -5.350 3.764 -0.938 238 HG23 VAL 35 2HG2 VAL 35 -3.651 4.174 -1.197 239 H ILE 36 H ILE 36 -6.362 0.011 0.199 240 HA ILE 36 HA ILE 36 -4.641 -1.964 1.517 241 HB ILE 36 HB ILE 36 -7.649 -1.872 1.717 242 HG12 ILE 36 2HG1 ILE 36 -5.744 -1.908 4.025 243 HG13 ILE 36 1HG1 ILE 36 -6.037 -0.396 3.176 244 HG21 ILE 36 1HG2 ILE 36 -7.310 -3.856 3.227 245 HG22 ILE 36 2HG2 ILE 36 -5.663 -3.965 2.597 246 HG23 ILE 36 3HG2 ILE 36 -7.042 -4.158 1.511 247 HD11 ILE 36 3HD1 ILE 36 -7.475 -0.476 5.046 248 HD12 ILE 36 1HD1 ILE 36 -8.028 -2.100 4.631 249 HD13 ILE 36 2HD1 ILE 36 -8.466 -0.731 3.607 250 H GLY 37 H GLY 37 -4.254 -3.766 0.412 251 HA2 GLY 37 2HA GLY 37 -5.483 -4.015 -2.233 252 HA3 GLY 37 1HA GLY 37 -3.980 -4.762 -1.725 253 H PHE 38 H PHE 38 -7.386 -5.093 -1.967 254 HA PHE 38 HA PHE 38 -7.524 -7.491 -0.335 255 HB2 PHE 38 2HB PHE 38 -9.630 -6.307 -2.162 256 HB3 PHE 38 1HB PHE 38 -9.879 -7.504 -0.896 257 HD1 PHE 38 2HD PHE 38 -8.703 -4.015 -1.405 258 HD2 PHE 38 1HD PHE 38 -10.487 -6.836 1.231 259 HE1 PHE 38 2HE PHE 38 -9.136 -2.222 0.217 260 HE2 PHE 38 1HE PHE 38 -10.925 -5.041 2.857 261 HZ PHE 38 HZ PHE 38 -10.250 -2.731 2.350 262 H PHE 39 H PHE 39 -6.211 -8.986 -1.308 263 HA PHE 39 HA PHE 39 -6.849 -9.701 -4.090 264 HB2 PHE 39 2HB PHE 39 -4.313 -10.356 -2.599 265 HB3 PHE 39 1HB PHE 39 -4.612 -10.508 -4.330 266 HD1 PHE 39 1HD PHE 39 -5.804 -7.979 -5.053 267 HD2 PHE 39 2HD PHE 39 -2.651 -8.790 -2.313 268 HE1 PHE 39 1HE PHE 39 -4.917 -5.714 -5.409 269 HE2 PHE 39 2HE PHE 39 -1.759 -6.524 -2.663 270 HZ PHE 39 HZ PHE 39 -2.894 -4.983 -4.213 271 H GLN 40 H GLN 40 -7.300 -11.769 -4.648 272 HA GLN 40 HA GLN 40 -7.885 -13.626 -2.480 273 HB2 GLN 40 2HB GLN 40 -8.429 -13.835 -5.456 274 HB3 GLN 40 1HB GLN 40 -8.998 -14.964 -4.233 275 HG2 GLN 40 2HG GLN 40 -10.316 -13.180 -3.204 276 HG3 GLN 40 1HG GLN 40 -9.758 -12.059 -4.446 277 HE21 GLN 40 1HE2 GLN 40 -10.534 -12.262 -6.545 278 HE22 GLN 40 2HE2 GLN 40 -11.941 -13.193 -6.921 279 H ASP 41 H ASP 41 -5.296 -12.779 -4.163 280 HA ASP 41 HA ASP 41 -3.874 -15.230 -3.678 281 HB2 ASP 41 2HB ASP 41 -4.858 -15.645 -5.929 282 HB3 ASP 41 1HB ASP 41 -4.079 -14.175 -6.516 283 H LEU 42 H LEU 42 -1.960 -14.590 -2.859 284 HA LEU 42 HA LEU 42 -1.094 -11.858 -3.375 285 HB2 LEU 42 2HB LEU 42 -0.079 -13.891 -1.393 286 HB3 LEU 42 1HB LEU 42 0.508 -12.242 -1.534 287 HG LEU 42 HG LEU 42 -2.290 -13.060 -0.757 288 HD11 LEU 42 1HD1 LEU 42 -1.695 -12.150 1.430 289 HD12 LEU 42 2HD1 LEU 42 -0.056 -11.840 0.859 290 HD13 LEU 42 3HD1 LEU 42 -0.647 -13.496 0.989 291 HD21 LEU 42 3HD2 LEU 42 -1.018 -10.344 -1.073 292 HD22 LEU 42 1HD2 LEU 42 -2.552 -10.633 -0.252 293 HD23 LEU 42 2HD2 LEU 42 -2.392 -10.995 -1.970 294 H GLU 43 H GLU 43 -0.813 -13.322 -5.594 295 HA GLU 43 HA GLU 43 2.099 -13.436 -5.880 296 HB2 GLU 43 2HB GLU 43 0.179 -15.514 -6.949 297 HB3 GLU 43 1HB GLU 43 1.885 -15.419 -7.356 298 HG2 GLU 43 2HG GLU 43 2.444 -15.770 -4.996 299 HG3 GLU 43 1HG GLU 43 0.726 -15.931 -4.633 300 H ILE 44 H ILE 44 -0.553 -11.903 -6.654 301 HA ILE 44 HA ILE 44 -0.202 -11.726 -9.540 302 HB ILE 44 HB ILE 44 -2.053 -9.947 -9.257 303 HG12 ILE 44 2HG1 ILE 44 -2.750 -11.391 -6.759 304 HG13 ILE 44 1HG1 ILE 44 -1.549 -10.112 -6.657 305 HG21 ILE 44 1HG2 ILE 44 -3.747 -11.616 -9.401 306 HG22 ILE 44 2HG2 ILE 44 -2.755 -12.787 -8.530 307 HG23 ILE 44 3HG2 ILE 44 -2.295 -12.273 -10.157 308 HD11 ILE 44 3HD1 ILE 44 -3.553 -9.064 -6.175 309 HD12 ILE 44 1HD1 ILE 44 -4.422 -9.939 -7.436 310 HD13 ILE 44 2HD1 ILE 44 -3.272 -8.675 -7.871 311 HA PRO 45 HA PRO 45 2.365 -8.149 -9.849 312 HB2 PRO 45 2HB PRO 45 0.106 -6.919 -11.375 313 HB3 PRO 45 1HB PRO 45 1.817 -7.022 -11.800 314 HG2 PRO 45 2HG PRO 45 0.077 -8.644 -12.955 315 HG3 PRO 45 1HG PRO 45 1.653 -9.266 -12.430 316 HD2 PRO 45 2HD PRO 45 -1.036 -9.608 -11.172 317 HD3 PRO 45 1HD PRO 45 0.311 -10.758 -11.286 318 H ALA 46 H ALA 46 -0.970 -7.733 -8.870 319 HA ALA 46 HA ALA 46 -0.841 -5.035 -8.077 320 HB1 ALA 46 1HB ALA 46 -2.628 -7.089 -6.821 321 HB2 ALA 46 2HB ALA 46 -2.897 -6.473 -8.451 322 HB3 ALA 46 3HB ALA 46 -2.935 -5.369 -7.073 323 H VAL 47 H VAL 47 -0.064 -8.018 -6.349 324 HA VAL 47 HA VAL 47 0.047 -6.889 -3.776 325 HB VAL 47 HB VAL 47 1.827 -9.178 -4.541 326 HG11 VAL 47 1HG1 VAL 47 1.244 -9.956 -2.296 327 HG12 VAL 47 2HG1 VAL 47 0.195 -8.554 -2.079 328 HG13 VAL 47 3HG1 VAL 47 1.935 -8.334 -2.254 329 HG21 VAL 47 3HG2 VAL 47 -0.372 -9.527 -5.626 330 HG22 VAL 47 1HG2 VAL 47 -1.141 -9.376 -4.047 331 HG23 VAL 47 2HG2 VAL 47 -0.028 -10.707 -4.362 332 HA PRO 48 HA PRO 48 4.873 -6.396 -4.467 333 HB2 PRO 48 2HB PRO 48 4.921 -6.112 -7.421 334 HB3 PRO 48 1HB PRO 48 6.072 -6.924 -6.351 335 HG2 PRO 48 2HG PRO 48 4.406 -8.324 -7.892 336 HG3 PRO 48 1HG PRO 48 4.810 -8.865 -6.251 337 HD2 PRO 48 2HD PRO 48 2.337 -7.521 -7.252 338 HD3 PRO 48 1HD PRO 48 2.510 -8.818 -6.058 339 H ILE 49 H ILE 49 2.671 -5.029 -6.859 340 HA ILE 49 HA ILE 49 3.812 -2.469 -7.005 341 HB ILE 49 HB ILE 49 1.173 -3.633 -7.739 342 HG12 ILE 49 2HG1 ILE 49 2.959 -1.995 -9.484 343 HG13 ILE 49 1HG1 ILE 49 3.437 -3.633 -9.057 344 HG21 ILE 49 1HG2 ILE 49 1.753 -0.728 -7.442 345 HG22 ILE 49 2HG2 ILE 49 0.285 -1.626 -7.060 346 HG23 ILE 49 3HG2 ILE 49 0.697 -1.286 -8.738 347 HD11 ILE 49 3HD1 ILE 49 0.756 -3.028 -10.246 348 HD12 ILE 49 1HD1 ILE 49 1.606 -4.571 -10.157 349 HD13 ILE 49 2HD1 ILE 49 2.189 -3.304 -11.239 350 H LEU 50 H LEU 50 1.347 -3.834 -4.870 351 HA LEU 50 HA LEU 50 0.701 -1.338 -3.643 352 HB2 LEU 50 2HB LEU 50 -0.907 -3.118 -3.543 353 HB3 LEU 50 1HB LEU 50 0.247 -4.187 -2.777 354 HG LEU 50 HG LEU 50 0.254 -2.612 -0.806 355 HD11 LEU 50 1HD1 LEU 50 -1.580 -1.056 -0.568 356 HD12 LEU 50 2HD1 LEU 50 -2.189 -1.487 -2.167 357 HD13 LEU 50 3HD1 LEU 50 -0.643 -0.657 -2.008 358 HD21 LEU 50 3HD2 LEU 50 -1.086 -4.765 -1.032 359 HD22 LEU 50 1HD2 LEU 50 -2.481 -3.733 -1.361 360 HD23 LEU 50 2HD2 LEU 50 -1.628 -3.604 0.182 361 H HIS 51 H HIS 51 2.662 -4.133 -2.622 362 HA HIS 51 HA HIS 51 3.645 -3.076 -0.248 363 HB2 HIS 51 2HB HIS 51 4.856 -5.011 -2.223 364 HB3 HIS 51 1HB HIS 51 5.671 -4.571 -0.724 365 HD1 HIS 51 1HD HIS 51 5.366 -6.371 0.924 366 HD2 HIS 51 2HD HIS 51 1.951 -5.815 -1.374 367 HE1 HIS 51 1HE HIS 51 3.684 -8.015 1.811 368 HE2 HIS 51 2HE HIS 51 1.604 -7.615 0.449 369 H SER 52 H SER 52 4.311 -2.259 -3.510 370 HA SER 52 HA SER 52 6.806 -0.906 -2.942 371 HB2 SER 52 2HB SER 52 6.506 -1.998 -5.117 372 HB3 SER 52 1HB SER 52 5.120 -0.963 -5.458 373 HG SER 52 HG SER 52 7.117 -0.234 -6.402 374 H MET 53 H MET 53 3.459 -0.025 -3.755 375 HA MET 53 HA MET 53 3.848 2.760 -3.778 376 HB2 MET 53 2HB MET 53 1.545 2.963 -3.908 377 HB3 MET 53 1HB MET 53 1.791 1.340 -4.527 378 HG2 MET 53 2HG MET 53 -0.000 1.081 -3.103 379 HG3 MET 53 1HG MET 53 1.361 0.584 -2.108 380 HE1 MET 53 3HE MET 53 -0.825 2.247 0.618 381 HE2 MET 53 1HE MET 53 0.229 0.887 0.228 382 HE3 MET 53 2HE MET 53 -1.266 1.130 -0.674 383 H VAL 54 H VAL 54 3.566 0.443 -1.258 384 HA VAL 54 HA VAL 54 2.730 1.918 0.917 385 HB VAL 54 HB VAL 54 4.780 -0.277 0.746 386 HG11 VAL 54 1HG1 VAL 54 3.527 0.896 3.218 387 HG12 VAL 54 2HG1 VAL 54 5.220 1.032 2.746 388 HG13 VAL 54 3HG1 VAL 54 4.542 -0.544 3.162 389 HG21 VAL 54 3HG2 VAL 54 1.845 -0.158 1.262 390 HG22 VAL 54 1HG2 VAL 54 2.810 -1.474 1.929 391 HG23 VAL 54 2HG2 VAL 54 2.753 -1.218 0.188 392 H GLN 55 H GLN 55 6.008 1.580 -0.382 393 HA GLN 55 HA GLN 55 7.147 3.366 1.545 394 HB2 GLN 55 2HB GLN 55 8.430 2.579 -1.045 395 HB3 GLN 55 1HB GLN 55 9.186 2.934 0.504 396 HG2 GLN 55 2HG GLN 55 8.469 0.863 1.418 397 HG3 GLN 55 1HG GLN 55 7.433 0.542 0.029 398 HE21 GLN 55 1HE2 GLN 55 9.481 1.541 -1.842 399 HE22 GLN 55 2HE2 GLN 55 10.662 0.286 -1.949 400 H LYS 56 H LYS 56 5.361 3.760 -1.271 401 HA LYS 56 HA LYS 56 6.591 6.302 -2.013 402 HB2 LYS 56 2HB LYS 56 4.264 4.825 -3.257 403 HB3 LYS 56 1HB LYS 56 5.043 6.259 -3.911 404 HG2 LYS 56 2HG LYS 56 7.111 5.015 -4.215 405 HG3 LYS 56 1HG LYS 56 6.356 3.575 -3.528 406 HD2 LYS 56 2HD LYS 56 6.246 3.294 -5.866 407 HD3 LYS 56 1HD LYS 56 4.625 3.793 -5.378 408 HE2 LYS 56 2HE LYS 56 5.161 5.051 -7.312 409 HE3 LYS 56 1HE LYS 56 5.309 6.150 -5.941 410 HZ1 LYS 56 3HZ LYS 56 7.729 5.694 -5.972 411 HZ2 LYS 56 1HZ LYS 56 7.171 6.469 -7.368 412 HZ3 LYS 56 2HZ LYS 56 7.520 4.814 -7.402 413 H PHE 57 H PHE 57 4.045 5.040 -0.147 414 HA PHE 57 HA PHE 57 3.009 7.745 0.295 415 HB2 PHE 57 2HB PHE 57 1.424 5.292 -0.402 416 HB3 PHE 57 1HB PHE 57 0.697 6.638 0.475 417 HD1 PHE 57 2HD PHE 57 0.358 8.788 -0.605 418 HD2 PHE 57 1HD PHE 57 2.037 5.496 -2.714 419 HE1 PHE 57 2HE PHE 57 -0.048 9.951 -2.735 420 HE2 PHE 57 1HE PHE 57 1.638 6.654 -4.846 421 HZ PHE 57 HZ PHE 57 0.593 8.883 -4.859 422 HA PRO 58 HA PRO 58 4.176 5.310 4.217 423 HB2 PRO 58 2HB PRO 58 5.212 7.653 5.334 424 HB3 PRO 58 1HB PRO 58 6.161 6.363 4.589 425 HG2 PRO 58 2HG PRO 58 5.211 8.943 3.412 426 HG3 PRO 58 1HG PRO 58 6.769 8.118 3.199 427 HD2 PRO 58 2HD PRO 58 4.924 8.005 1.291 428 HD3 PRO 58 1HD PRO 58 5.870 6.560 1.704 429 H GLY 59 H GLY 59 2.958 8.622 3.745 430 HA2 GLY 59 2HA GLY 59 1.600 8.902 6.172 431 HA3 GLY 59 1HA GLY 59 1.177 9.729 4.678 432 H VAL 60 H VAL 60 0.550 7.519 3.103 433 HA VAL 60 HA VAL 60 -2.134 7.025 3.857 434 HB VAL 60 HB VAL 60 -0.332 5.948 1.702 435 HG11 VAL 60 1HG1 VAL 60 -3.181 5.074 2.199 436 HG12 VAL 60 2HG1 VAL 60 -1.743 4.065 2.368 437 HG13 VAL 60 3HG1 VAL 60 -2.211 4.677 0.781 438 HG21 VAL 60 3HG2 VAL 60 -2.071 7.038 0.269 439 HG22 VAL 60 1HG2 VAL 60 -1.177 8.143 1.313 440 HG23 VAL 60 2HG2 VAL 60 -2.815 7.653 1.746 441 H SER 61 H SER 61 -3.105 5.161 4.691 442 HA SER 61 HA SER 61 -1.357 3.516 6.290 443 HB2 SER 61 2HB SER 61 -3.470 4.266 7.245 444 HB3 SER 61 1HB SER 61 -4.360 3.441 5.968 445 HG SER 61 HG SER 61 -3.466 2.451 8.277 446 H PHE 62 H PHE 62 -0.206 2.158 5.073 447 HA PHE 62 HA PHE 62 -1.172 0.732 2.838 448 HB2 PHE 62 2HB PHE 62 0.914 -0.759 3.448 449 HB3 PHE 62 1HB PHE 62 1.130 0.878 2.829 450 HD1 PHE 62 1HD PHE 62 1.315 -1.252 5.810 451 HD2 PHE 62 2HD PHE 62 1.968 2.641 4.222 452 HE1 PHE 62 1HE PHE 62 2.609 -0.655 7.815 453 HE2 PHE 62 2HE PHE 62 3.263 3.244 6.224 454 HZ PHE 62 HZ PHE 62 3.585 1.595 8.024 455 H GLY 63 H GLY 63 -2.388 -1.018 2.725 456 HA2 GLY 63 2HA GLY 63 -2.382 -2.931 4.940 457 HA3 GLY 63 1HA GLY 63 -3.918 -2.211 4.477 458 H ILE 64 H ILE 64 -3.465 -4.953 4.403 459 HA ILE 64 HA ILE 64 -4.134 -5.482 1.661 460 HB ILE 64 HB ILE 64 -1.518 -5.538 1.976 461 HG12 ILE 64 2HG1 ILE 64 -3.003 -7.719 0.507 462 HG13 ILE 64 1HG1 ILE 64 -2.749 -6.085 -0.087 463 HG21 ILE 64 1HG2 ILE 64 -1.463 -7.066 3.850 464 HG22 ILE 64 2HG2 ILE 64 -0.683 -7.799 2.450 465 HG23 ILE 64 3HG2 ILE 64 -2.312 -8.289 2.908 466 HD11 ILE 64 3HD1 ILE 64 -0.638 -8.164 0.438 467 HD12 ILE 64 1HD1 ILE 64 -0.310 -6.492 -0.025 468 HD13 ILE 64 2HD1 ILE 64 -1.177 -7.561 -1.129 469 H SER 65 H SER 65 -5.268 -7.410 1.428 470 HA SER 65 HA SER 65 -5.439 -9.210 3.701 471 HB2 SER 65 2HB SER 65 -7.072 -7.509 4.306 472 HB3 SER 65 1HB SER 65 -7.843 -7.654 2.726 473 HG SER 65 HG SER 65 -9.028 -8.917 4.067 474 H THR 66 H THR 66 -6.520 -11.167 3.274 475 HA THR 66 HA THR 66 -7.168 -11.704 0.463 476 HB THR 66 HB THR 66 -6.001 -13.880 0.599 477 HG1 THR 66 1HG THR 66 -5.998 -13.977 2.944 478 HG21 THR 66 3HG2 THR 66 -4.136 -11.594 1.212 479 HG22 THR 66 1HG2 THR 66 -4.909 -11.847 -0.353 480 HG23 THR 66 2HG2 THR 66 -3.780 -13.047 0.277 481 H ASP 67 H ASP 67 -8.113 -11.738 3.599 482 HA ASP 67 HA ASP 67 -9.429 -14.231 3.853 483 HB2 ASP 67 2HB ASP 67 -8.877 -12.700 5.752 484 HB3 ASP 67 1HB ASP 67 -10.151 -11.618 5.195 485 H SER 68 H SER 68 -11.503 -14.847 3.418 486 HA SER 68 HA SER 68 -12.795 -13.652 1.221 487 HB2 SER 68 2HB SER 68 -14.589 -15.295 1.644 488 HB3 SER 68 1HB SER 68 -12.991 -16.040 1.694 489 HG SER 68 HG SER 68 -14.801 -16.221 3.521 490 H GLU 69 H GLU 69 -13.693 -13.748 4.674 491 HA GLU 69 HA GLU 69 -16.090 -12.409 4.573 492 HB2 GLU 69 2HB GLU 69 -13.998 -12.039 6.715 493 HB3 GLU 69 1HB GLU 69 -15.728 -11.766 6.872 494 HG2 GLU 69 2HG GLU 69 -16.106 -14.169 6.441 495 HG3 GLU 69 1HG GLU 69 -14.358 -14.405 6.417 496 H VAL 70 H VAL 70 -12.847 -10.970 4.731 497 HA VAL 70 HA VAL 70 -13.817 -8.299 4.783 498 HB VAL 70 HB VAL 70 -11.095 -9.399 4.082 499 HG11 VAL 70 1HG1 VAL 70 -11.274 -7.310 2.944 500 HG12 VAL 70 2HG1 VAL 70 -10.310 -7.045 4.400 501 HG13 VAL 70 3HG1 VAL 70 -12.000 -6.541 4.358 502 HG21 VAL 70 3HG2 VAL 70 -11.407 -9.768 6.355 503 HG22 VAL 70 1HG2 VAL 70 -12.335 -8.283 6.563 504 HG23 VAL 70 2HG2 VAL 70 -10.593 -8.202 6.317 505 H LEU 71 H LEU 71 -12.319 -10.247 2.202 506 HA LEU 71 HA LEU 71 -12.612 -8.377 0.149 507 HB2 LEU 71 2HB LEU 71 -12.274 -11.335 0.261 508 HB3 LEU 71 1HB LEU 71 -12.750 -10.617 -1.267 509 HG LEU 71 HG LEU 71 -10.751 -9.339 -1.403 510 HD11 LEU 71 1HD1 LEU 71 -10.553 -8.593 0.873 511 HD12 LEU 71 2HD1 LEU 71 -9.047 -9.370 0.384 512 HD13 LEU 71 3HD1 LEU 71 -10.187 -10.230 1.418 513 HD21 LEU 71 3HD2 LEU 71 -9.011 -11.071 -1.313 514 HD22 LEU 71 1HD2 LEU 71 -10.498 -11.653 -2.063 515 HD23 LEU 71 2HD2 LEU 71 -10.110 -12.109 -0.403 516 H THR 72 H THR 72 -14.943 -10.144 1.839 517 HA THR 72 HA THR 72 -16.945 -10.020 -0.273 518 HB THR 72 HB THR 72 -17.136 -11.011 2.581 519 HG1 THR 72 1HG THR 72 -17.561 -12.875 0.695 520 HG21 THR 72 3HG2 THR 72 -19.147 -10.977 0.331 521 HG22 THR 72 1HG2 THR 72 -19.311 -10.278 1.942 522 HG23 THR 72 2HG2 THR 72 -19.293 -12.030 1.738 523 H HIS 73 H HIS 73 -16.249 -8.609 2.889 524 HA HIS 73 HA HIS 73 -18.568 -7.055 3.141 525 HB2 HIS 73 2HB HIS 73 -16.976 -7.500 4.993 526 HB3 HIS 73 1HB HIS 73 -15.801 -6.446 4.212 527 HD1 HIS 73 1HD HIS 73 -15.980 -3.988 4.687 528 HD2 HIS 73 2HD HIS 73 -19.326 -6.102 5.948 529 HE1 HIS 73 1HE HIS 73 -17.365 -2.340 5.985 530 HE2 HIS 73 2HE HIS 73 -19.412 -3.626 6.693 531 H TYR 74 H TYR 74 -15.515 -6.488 1.495 532 HA TYR 74 HA TYR 74 -16.375 -3.804 0.718 533 HB2 TYR 74 2HB TYR 74 -13.768 -5.287 0.365 534 HB3 TYR 74 1HB TYR 74 -14.078 -3.710 -0.351 535 HD1 TYR 74 1HD TYR 74 -13.999 -5.484 2.921 536 HD2 TYR 74 2HD TYR 74 -13.670 -1.766 0.880 537 HE1 TYR 74 1HE TYR 74 -13.284 -4.407 5.011 538 HE2 TYR 74 2HE TYR 74 -12.954 -0.678 2.965 539 HH TYR 74 HH TYR 74 -13.163 -1.054 5.405 540 H ASN 75 H ASN 75 -17.203 -6.669 -0.283 541 HA ASN 75 HA ASN 75 -18.019 -7.563 -2.204 542 HB2 ASN 75 2HB ASN 75 -19.083 -5.237 -2.158 543 HB3 ASN 75 1HB ASN 75 -17.909 -4.808 -3.396 544 HD21 ASN 75 1HD2 ASN 75 -19.458 -4.465 -4.956 545 HD22 ASN 75 2HD2 ASN 75 -20.346 -5.753 -5.688 546 H ILE 76 H ILE 76 -15.059 -7.119 -1.869 547 HA ILE 76 HA ILE 76 -13.818 -6.518 -4.295 548 HB ILE 76 HB ILE 76 -12.876 -8.539 -2.260 549 HG12 ILE 76 2HG1 ILE 76 -13.455 -6.405 -1.199 550 HG13 ILE 76 1HG1 ILE 76 -11.721 -6.676 -1.179 551 HG21 ILE 76 1HG2 ILE 76 -10.630 -7.887 -3.050 552 HG22 ILE 76 2HG2 ILE 76 -11.388 -6.907 -4.303 553 HG23 ILE 76 3HG2 ILE 76 -11.608 -8.654 -4.301 554 HD11 ILE 76 3HD1 ILE 76 -13.193 -4.885 -3.099 555 HD12 ILE 76 1HD1 ILE 76 -11.448 -5.139 -3.047 556 HD13 ILE 76 2HD1 ILE 76 -12.265 -4.360 -1.693 557 H THR 77 H THR 77 -13.918 -7.487 -6.210 558 HA THR 77 HA THR 77 -14.190 -10.404 -6.331 559 HB THR 77 HB THR 77 -15.826 -10.196 -8.195 560 HG1 THR 77 1HG THR 77 -16.092 -7.496 -7.325 561 HG21 THR 77 3HG2 THR 77 -16.711 -8.990 -5.574 562 HG22 THR 77 1HG2 THR 77 -16.604 -10.710 -5.943 563 HG23 THR 77 2HG2 THR 77 -17.773 -9.699 -6.790 564 H GLY 78 H GLY 78 -11.789 -9.473 -6.708 565 HA2 GLY 78 2HA GLY 78 -10.796 -10.336 -9.029 566 HA3 GLY 78 1HA GLY 78 -11.354 -8.736 -9.492 567 H ASN 79 H ASN 79 -9.780 -9.889 -6.513 568 HA ASN 79 HA ASN 79 -7.989 -9.067 -5.362 569 HB2 ASN 79 2HB ASN 79 -6.867 -8.772 -8.154 570 HB3 ASN 79 1HB ASN 79 -5.933 -8.864 -6.667 571 HD21 ASN 79 1HD2 ASN 79 -5.694 -10.829 -5.634 572 HD22 ASN 79 2HD2 ASN 79 -6.092 -12.331 -6.391 573 H THR 80 H THR 80 -9.955 -7.211 -5.736 574 HA THR 80 HA THR 80 -9.099 -4.762 -6.874 575 HB THR 80 HB THR 80 -11.230 -5.326 -4.794 576 HG1 THR 80 1HG THR 80 -12.589 -5.508 -6.520 577 HG21 THR 80 3HG2 THR 80 -10.570 -2.952 -4.802 578 HG22 THR 80 1HG2 THR 80 -12.206 -3.181 -5.418 579 HG23 THR 80 2HG2 THR 80 -10.877 -2.882 -6.537 580 H ILE 81 H ILE 81 -8.522 -2.830 -5.864 581 HA ILE 81 HA ILE 81 -7.379 -3.048 -3.152 582 HB ILE 81 HB ILE 81 -6.403 -1.407 -5.501 583 HG12 ILE 81 2HG1 ILE 81 -5.103 -3.648 -3.936 584 HG13 ILE 81 1HG1 ILE 81 -5.741 -3.771 -5.571 585 HG21 ILE 81 1HG2 ILE 81 -4.652 -0.578 -4.013 586 HG22 ILE 81 2HG2 ILE 81 -5.383 -1.447 -2.662 587 HG23 ILE 81 3HG2 ILE 81 -6.253 -0.120 -3.433 588 HD11 ILE 81 3HD1 ILE 81 -3.372 -3.577 -5.688 589 HD12 ILE 81 1HD1 ILE 81 -3.386 -2.150 -4.653 590 HD13 ILE 81 2HD1 ILE 81 -4.077 -2.068 -6.273 591 H CYS 82 H CYS 82 -8.517 -1.857 -1.733 592 HA CYS 82 HA CYS 82 -10.075 0.383 -2.813 593 HB2 CYS 82 2HB CYS 82 -10.463 -1.187 -0.272 594 HB3 CYS 82 1HB CYS 82 -11.456 0.178 -0.768 595 HG CYS 82 HG CYS 82 -12.645 -2.457 -1.172 596 H LEU 83 H LEU 83 -9.838 2.399 -2.160 597 HA LEU 83 HA LEU 83 -7.871 2.952 -0.053 598 HB2 LEU 83 2HB LEU 83 -7.032 3.954 -1.959 599 HB3 LEU 83 1HB LEU 83 -8.616 4.342 -2.586 600 HG LEU 83 HG LEU 83 -8.840 6.213 -1.101 601 HD11 LEU 83 1HD1 LEU 83 -7.586 5.045 0.802 602 HD12 LEU 83 2HD1 LEU 83 -7.396 6.789 0.630 603 HD13 LEU 83 3HD1 LEU 83 -6.125 5.703 0.061 604 HD21 LEU 83 3HD2 LEU 83 -6.158 6.087 -2.454 605 HD22 LEU 83 1HD2 LEU 83 -6.840 7.563 -1.771 606 HD23 LEU 83 2HD2 LEU 83 -7.667 6.741 -3.094 607 H PHE 84 H PHE 84 -9.105 3.066 1.777 608 HA PHE 84 HA PHE 84 -11.575 4.613 1.732 609 HB2 PHE 84 2HB PHE 84 -11.198 2.336 2.946 610 HB3 PHE 84 1HB PHE 84 -10.431 3.317 4.188 611 HD1 PHE 84 2HD PHE 84 -11.874 5.416 4.948 612 HD2 PHE 84 1HD PHE 84 -13.434 1.887 3.149 613 HE1 PHE 84 2HE PHE 84 -14.084 5.903 5.918 614 HE2 PHE 84 1HE PHE 84 -15.644 2.368 4.115 615 HZ PHE 84 HZ PHE 84 -15.972 4.377 5.502 616 H ARG 85 H ARG 85 -11.571 6.716 2.201 617 HA ARG 85 HA ARG 85 -9.301 7.826 3.707 618 HB2 ARG 85 2HB ARG 85 -11.209 9.678 2.419 619 HB3 ARG 85 1HB ARG 85 -9.453 9.717 2.467 620 HG2 ARG 85 2HG ARG 85 -9.367 7.983 0.744 621 HG3 ARG 85 1HG ARG 85 -11.137 7.982 0.676 622 HD2 ARG 85 2HD ARG 85 -9.260 10.221 -0.063 623 HD3 ARG 85 1HD ARG 85 -10.351 9.330 -1.125 624 HE ARG 85 HE ARG 85 -11.787 10.630 0.948 625 HH11 ARG 85 1HH1 ARG 85 -10.146 11.212 -2.070 626 HH12 ARG 85 2HH1 ARG 85 -11.080 12.618 -2.456 627 HH21 ARG 85 1HH2 ARG 85 -13.018 12.486 0.451 628 HH22 ARG 85 2HH2 ARG 85 -12.712 13.344 -1.022 629 H LEU 86 H LEU 86 -9.770 7.782 5.798 630 HA LEU 86 HA LEU 86 -12.140 7.677 7.118 631 HB2 LEU 86 2HB LEU 86 -10.284 7.357 8.437 632 HB3 LEU 86 1HB LEU 86 -9.466 8.776 7.818 633 HG LEU 86 HG LEU 86 -11.061 10.191 9.117 634 HD11 LEU 86 1HD1 LEU 86 -11.866 7.554 10.338 635 HD12 LEU 86 2HD1 LEU 86 -12.880 8.568 9.308 636 HD13 LEU 86 3HD1 LEU 86 -12.366 9.153 10.892 637 HD21 LEU 86 3HD2 LEU 86 -9.371 8.214 10.635 638 HD22 LEU 86 1HD2 LEU 86 -10.022 9.710 11.308 639 HD23 LEU 86 2HD2 LEU 86 -8.861 9.772 9.981 640 H VAL 87 H VAL 87 -10.367 10.723 6.540 641 HA VAL 87 HA VAL 87 -11.915 12.580 7.682 642 HB VAL 87 HB VAL 87 -11.579 13.817 5.271 643 HG11 VAL 87 1HG1 VAL 87 -9.448 14.648 6.244 644 HG12 VAL 87 2HG1 VAL 87 -9.601 13.427 7.509 645 HG13 VAL 87 3HG1 VAL 87 -10.813 14.702 7.360 646 HG21 VAL 87 3HG2 VAL 87 -9.359 13.059 4.457 647 HG22 VAL 87 1HG2 VAL 87 -10.647 11.881 4.202 648 HG23 VAL 87 2HG2 VAL 87 -9.492 11.657 5.522 649 H ASP 88 H ASP 88 -12.493 12.084 4.224 650 HA ASP 88 HA ASP 88 -15.227 12.916 4.549 651 HB2 ASP 88 2HB ASP 88 -13.502 12.224 2.190 652 HB3 ASP 88 1HB ASP 88 -15.239 12.467 2.005 653 H ASN 89 H ASN 89 -13.832 10.138 5.234 654 HA ASN 89 HA ASN 89 -14.429 7.948 5.359 655 HB2 ASN 89 2HB ASN 89 -17.215 9.103 5.169 656 HB3 ASN 89 1HB ASN 89 -16.795 7.504 5.773 657 HD21 ASN 89 1HD2 ASN 89 -16.695 10.922 6.403 658 HD22 ASN 89 2HD2 ASN 89 -16.325 10.804 8.086 659 H GLU 90 H GLU 90 -13.808 8.863 2.741 660 HA GLU 90 HA GLU 90 -15.727 7.717 0.919 661 HB2 GLU 90 2HB GLU 90 -12.896 8.607 0.362 662 HB3 GLU 90 1HB GLU 90 -14.158 8.315 -0.826 663 HG2 GLU 90 2HG GLU 90 -14.265 10.435 1.295 664 HG3 GLU 90 1HG GLU 90 -13.747 10.700 -0.368 665 H GLN 91 H GLN 91 -14.958 6.098 -0.725 666 HA GLN 91 HA GLN 91 -12.944 4.234 0.209 667 HB2 GLN 91 2HB GLN 91 -15.114 3.599 1.337 668 HB3 GLN 91 1HB GLN 91 -15.758 3.255 -0.263 669 HG2 GLN 91 2HG GLN 91 -13.599 1.765 -0.441 670 HG3 GLN 91 1HG GLN 91 -13.717 1.792 1.315 671 HE21 GLN 91 1HE2 GLN 91 -16.630 1.990 1.272 672 HE22 GLN 91 2HE2 GLN 91 -17.210 0.417 0.856 673 H LEU 92 H LEU 92 -11.860 4.730 -1.696 674 HA LEU 92 HA LEU 92 -13.105 4.506 -4.263 675 HB2 LEU 92 2HB LEU 92 -10.187 4.615 -3.482 676 HB3 LEU 92 1HB LEU 92 -10.778 4.687 -5.128 677 HG LEU 92 HG LEU 92 -10.241 6.906 -4.483 678 HD11 LEU 92 1HD1 LEU 92 -12.396 8.061 -4.611 679 HD12 LEU 92 2HD1 LEU 92 -13.222 6.537 -4.291 680 HD13 LEU 92 3HD1 LEU 92 -12.281 6.737 -5.770 681 HD21 LEU 92 3HD2 LEU 92 -12.050 6.664 -2.094 682 HD22 LEU 92 1HD2 LEU 92 -10.974 7.996 -2.511 683 HD23 LEU 92 2HD2 LEU 92 -10.302 6.441 -2.020 684 H ASN 93 H ASN 93 -12.790 2.857 -5.816 685 HA ASN 93 HA ASN 93 -11.731 0.337 -4.723 686 HB2 ASN 93 2HB ASN 93 -13.566 -0.678 -6.334 687 HB3 ASN 93 1HB ASN 93 -13.960 -0.205 -4.687 688 HD21 ASN 93 1HD2 ASN 93 -15.153 1.677 -4.335 689 HD22 ASN 93 2HD2 ASN 93 -16.065 2.427 -5.597 690 H LEU 94 H LEU 94 -10.033 -0.246 -5.797 691 HA LEU 94 HA LEU 94 -9.813 0.311 -8.672 692 HB2 LEU 94 2HB LEU 94 -8.023 0.997 -6.904 693 HB3 LEU 94 1HB LEU 94 -7.601 -0.703 -6.899 694 HG LEU 94 HG LEU 94 -7.671 0.700 -9.520 695 HD11 LEU 94 1HD1 LEU 94 -6.468 2.305 -8.198 696 HD12 LEU 94 2HD1 LEU 94 -5.306 1.392 -9.160 697 HD13 LEU 94 3HD1 LEU 94 -5.508 1.030 -7.446 698 HD21 LEU 94 3HD2 LEU 94 -7.251 -1.713 -9.335 699 HD22 LEU 94 1HD2 LEU 94 -5.854 -1.381 -8.312 700 HD23 LEU 94 2HD2 LEU 94 -5.866 -0.844 -9.993 701 H GLU 95 H GLU 95 -11.323 -1.398 -9.100 702 HA GLU 95 HA GLU 95 -10.725 -4.091 -8.273 703 HB2 GLU 95 2HB GLU 95 -12.802 -3.163 -10.251 704 HB3 GLU 95 1HB GLU 95 -12.753 -4.703 -9.404 705 HG2 GLU 95 2HG GLU 95 -13.168 -3.632 -7.307 706 HG3 GLU 95 1HG GLU 95 -13.046 -2.036 -8.049 707 H ASP 96 H ASP 96 -11.530 -5.547 -10.456 708 HA ASP 96 HA ASP 96 -9.177 -6.149 -11.745 709 HB2 ASP 96 2HB ASP 96 -11.065 -7.671 -11.713 710 HB3 ASP 96 1HB ASP 96 -12.001 -6.581 -12.731 711 H GLU 97 H GLU 97 -11.654 -3.842 -12.747 712 HA GLU 97 HA GLU 97 -10.823 -3.382 -15.364 713 HB2 GLU 97 2HB GLU 97 -11.879 -1.301 -13.440 714 HB3 GLU 97 1HB GLU 97 -11.929 -1.226 -15.196 715 HG2 GLU 97 2HG GLU 97 -13.384 -3.223 -13.476 716 HG3 GLU 97 1HG GLU 97 -14.095 -1.812 -14.258 717 H ASP 98 H ASP 98 -9.225 -2.793 -12.467 718 HA ASP 98 HA ASP 98 -7.183 -1.201 -13.838 719 HB2 ASP 98 2HB ASP 98 -8.270 -0.747 -11.047 720 HB3 ASP 98 1HB ASP 98 -6.826 0.036 -11.692 721 H ILE 99 H ILE 99 -7.931 -3.926 -11.950 722 HA ILE 99 HA ILE 99 -5.270 -4.208 -10.808 723 HB ILE 99 HB ILE 99 -7.728 -5.956 -10.626 724 HG12 ILE 99 2HG1 ILE 99 -7.717 -3.787 -9.396 725 HG13 ILE 99 1HG1 ILE 99 -7.877 -5.199 -8.364 726 HG21 ILE 99 1HG2 ILE 99 -6.451 -7.184 -8.857 727 HG22 ILE 99 2HG2 ILE 99 -4.996 -6.363 -9.421 728 HG23 ILE 99 3HG2 ILE 99 -5.872 -7.448 -10.503 729 HD11 ILE 99 3HD1 ILE 99 -5.469 -5.031 -7.842 730 HD12 ILE 99 1HD1 ILE 99 -6.399 -3.619 -7.340 731 HD13 ILE 99 2HD1 ILE 99 -5.402 -3.546 -8.794 732 H GLU 100 H GLU 100 -7.202 -5.489 -13.427 733 HA GLU 100 HA GLU 100 -5.805 -7.792 -14.074 734 HB2 GLU 100 2HB GLU 100 -7.895 -7.151 -15.170 735 HB3 GLU 100 1HB GLU 100 -7.091 -5.794 -15.948 736 HG2 GLU 100 2HG GLU 100 -7.375 -7.614 -17.508 737 HG3 GLU 100 1HG GLU 100 -5.663 -7.351 -17.180 738 H SER 101 H SER 101 -5.140 -4.441 -14.990 739 HA SER 101 HA SER 101 -2.442 -5.282 -15.819 740 HB2 SER 101 2HB SER 101 -2.470 -3.483 -17.512 741 HB3 SER 101 1HB SER 101 -3.747 -4.664 -17.802 742 HG SER 101 HG SER 101 -5.244 -3.237 -17.044 743 H ILE 102 H ILE 102 -3.157 -4.509 -13.219 744 HA ILE 102 HA ILE 102 -2.752 -1.786 -12.667 745 HB ILE 102 HB ILE 102 -3.723 -3.326 -11.032 746 HG12 ILE 102 2HG1 ILE 102 -2.318 -2.571 -9.049 747 HG13 ILE 102 1HG1 ILE 102 -1.208 -1.870 -10.220 748 HG21 ILE 102 1HG2 ILE 102 -2.433 -5.309 -11.391 749 HG22 ILE 102 2HG2 ILE 102 -2.180 -4.795 -9.723 750 HG23 ILE 102 3HG2 ILE 102 -0.939 -4.488 -10.938 751 HD11 ILE 102 3HD1 ILE 102 -4.075 -1.120 -9.764 752 HD12 ILE 102 1HD1 ILE 102 -3.090 -0.506 -11.090 753 HD13 ILE 102 2HD1 ILE 102 -2.643 -0.153 -9.421 754 H ASP 103 H ASP 103 -0.982 -0.614 -12.129 755 HA ASP 103 HA ASP 103 1.644 -1.907 -12.207 756 HB2 ASP 103 2HB ASP 103 0.998 0.647 -13.690 757 HB3 ASP 103 1HB ASP 103 2.555 -0.173 -13.639 758 H ALA 104 H ALA 104 3.247 -0.822 -10.955 759 HA ALA 104 HA ALA 104 2.433 0.310 -8.596 760 HB1 ALA 104 1HB ALA 104 5.036 0.758 -10.037 761 HB2 ALA 104 2HB ALA 104 4.666 -0.510 -8.865 762 HB3 ALA 104 3HB ALA 104 4.731 1.176 -8.350 763 H THR 105 H THR 105 3.044 1.871 -11.660 764 HA THR 105 HA THR 105 2.953 4.554 -10.804 765 HB THR 105 HB THR 105 2.148 3.372 -13.471 766 HG1 THR 105 1HG THR 105 4.436 3.223 -12.567 767 HG21 THR 105 3HG2 THR 105 1.182 5.544 -13.278 768 HG22 THR 105 1HG2 THR 105 2.610 5.684 -14.304 769 HG23 THR 105 2HG2 THR 105 2.677 6.212 -12.621 770 H LYS 106 H LYS 106 0.442 2.384 -12.058 771 HA LYS 106 HA LYS 106 -1.682 4.202 -11.979 772 HB2 LYS 106 2HB LYS 106 -1.755 1.195 -11.651 773 HB3 LYS 106 1HB LYS 106 -3.141 2.214 -12.022 774 HG2 LYS 106 2HG LYS 106 -2.145 2.852 -14.134 775 HG3 LYS 106 1HG LYS 106 -0.699 1.914 -13.760 776 HD2 LYS 106 2HD LYS 106 -2.042 0.591 -15.225 777 HD3 LYS 106 1HD LYS 106 -2.175 -0.115 -13.614 778 HE2 LYS 106 2HE LYS 106 -4.328 0.894 -13.287 779 HE3 LYS 106 1HE LYS 106 -4.180 1.807 -14.789 780 HZ1 LYS 106 3HZ LYS 106 -5.597 -0.144 -15.039 781 HZ2 LYS 106 1HZ LYS 106 -4.316 -1.154 -14.590 782 HZ3 LYS 106 2HZ LYS 106 -4.226 -0.258 -16.021 783 H LEU 107 H LEU 107 -0.991 1.581 -9.631 784 HA LEU 107 HA LEU 107 -2.876 2.217 -7.737 785 HB2 LEU 107 2HB LEU 107 -0.721 0.489 -7.863 786 HB3 LEU 107 1HB LEU 107 -0.290 1.546 -6.537 787 HG LEU 107 HG LEU 107 -2.545 -0.407 -6.742 788 HD11 LEU 107 1HD1 LEU 107 -0.627 -1.237 -5.653 789 HD12 LEU 107 2HD1 LEU 107 -1.763 -0.826 -4.368 790 HD13 LEU 107 3HD1 LEU 107 -0.409 0.248 -4.729 791 HD21 LEU 107 3HD2 LEU 107 -2.509 2.022 -4.954 792 HD22 LEU 107 1HD2 LEU 107 -3.542 0.615 -4.698 793 HD23 LEU 107 2HD2 LEU 107 -3.729 1.593 -6.152 794 H SER 108 H SER 108 0.493 3.374 -7.806 795 HA SER 108 HA SER 108 0.298 5.145 -5.652 796 HB2 SER 108 2HB SER 108 2.081 5.287 -8.094 797 HB3 SER 108 1HB SER 108 2.315 6.221 -6.615 798 HG SER 108 HG SER 108 2.090 3.431 -6.452 799 H ARG 109 H ARG 109 -0.626 5.492 -8.999 800 HA ARG 109 HA ARG 109 -0.914 8.312 -8.981 801 HB2 ARG 109 2HB ARG 109 -0.660 6.923 -11.041 802 HB3 ARG 109 1HB ARG 109 -2.272 6.290 -10.768 803 HG2 ARG 109 2HG ARG 109 -1.820 9.234 -11.023 804 HG3 ARG 109 1HG ARG 109 -1.945 8.208 -12.454 805 HD2 ARG 109 2HD ARG 109 -4.116 7.349 -11.483 806 HD3 ARG 109 1HD ARG 109 -4.000 8.656 -10.299 807 HE ARG 109 HE ARG 109 -3.758 9.961 -12.643 808 HH11 ARG 109 1HH1 ARG 109 -6.058 7.618 -11.478 809 HH12 ARG 109 2HH1 ARG 109 -7.367 8.242 -12.424 810 HH21 ARG 109 1HH2 ARG 109 -5.471 10.788 -13.895 811 HH22 ARG 109 2HH2 ARG 109 -7.033 10.044 -13.803 812 H PHE 110 H PHE 110 -3.420 5.799 -9.199 813 HA PHE 110 HA PHE 110 -5.651 7.250 -8.690 814 HB2 PHE 110 2HB PHE 110 -4.916 4.456 -7.852 815 HB3 PHE 110 1HB PHE 110 -6.487 5.143 -7.436 816 HD1 PHE 110 1HD PHE 110 -8.052 5.813 -9.229 817 HD2 PHE 110 2HD PHE 110 -4.437 3.725 -10.053 818 HE1 PHE 110 1HE PHE 110 -8.913 5.210 -11.454 819 HE2 PHE 110 2HE PHE 110 -5.290 3.119 -12.281 820 HZ PHE 110 HZ PHE 110 -7.532 3.861 -12.983 821 H ILE 111 H ILE 111 -3.411 5.954 -6.262 822 HA ILE 111 HA ILE 111 -4.797 6.909 -4.000 823 HB ILE 111 HB ILE 111 -1.839 6.406 -4.386 824 HG12 ILE 111 2HG1 ILE 111 -3.888 4.737 -2.927 825 HG13 ILE 111 1HG1 ILE 111 -3.464 4.482 -4.612 826 HG21 ILE 111 1HG2 ILE 111 -1.696 6.386 -1.940 827 HG22 ILE 111 2HG2 ILE 111 -3.387 6.874 -1.842 828 HG23 ILE 111 3HG2 ILE 111 -2.193 7.964 -2.552 829 HD11 ILE 111 3HD1 ILE 111 -1.165 4.020 -3.981 830 HD12 ILE 111 1HD1 ILE 111 -2.283 2.947 -3.141 831 HD13 ILE 111 2HD1 ILE 111 -1.565 4.314 -2.289 832 H GLU 112 H GLU 112 -1.992 8.256 -5.731 833 HA GLU 112 HA GLU 112 -1.768 10.657 -4.374 834 HB2 GLU 112 2HB GLU 112 -0.198 9.735 -6.129 835 HB3 GLU 112 1HB GLU 112 -1.337 10.308 -7.342 836 HG2 GLU 112 2HG GLU 112 0.402 11.917 -7.140 837 HG3 GLU 112 1HG GLU 112 -1.060 12.600 -6.429 838 H ILE 113 H ILE 113 -4.213 9.560 -6.447 839 HA ILE 113 HA ILE 113 -5.166 12.208 -7.158 840 HB ILE 113 HB ILE 113 -5.637 9.463 -8.093 841 HG12 ILE 113 2HG1 ILE 113 -5.784 10.589 -10.256 842 HG13 ILE 113 1HG1 ILE 113 -5.816 12.157 -9.452 843 HG21 ILE 113 1HG2 ILE 113 -7.901 11.435 -8.013 844 HG22 ILE 113 2HG2 ILE 113 -7.863 9.790 -7.373 845 HG23 ILE 113 3HG2 ILE 113 -7.834 10.058 -9.114 846 HD11 ILE 113 3HD1 ILE 113 -3.530 10.198 -9.384 847 HD12 ILE 113 1HD1 ILE 113 -3.561 11.790 -8.625 848 HD13 ILE 113 2HD1 ILE 113 -3.620 11.649 -10.382 849 H ASN 114 H ASN 114 -6.060 9.526 -5.031 850 HA ASN 114 HA ASN 114 -8.194 11.249 -3.946 851 HB2 ASN 114 2HB ASN 114 -8.237 8.241 -4.219 852 HB3 ASN 114 1HB ASN 114 -9.465 9.204 -3.398 853 HD21 ASN 114 1HD2 ASN 114 -9.535 7.448 -5.810 854 HD22 ASN 114 2HD2 ASN 114 -10.234 8.427 -7.049 855 H SER 115 H SER 115 -5.376 10.919 -3.073 856 HA SER 115 HA SER 115 -5.538 9.481 -0.575 857 HB2 SER 115 2HB SER 115 -3.239 10.253 -0.222 858 HB3 SER 115 1HB SER 115 -3.422 9.598 -1.851 859 HG SER 115 HG SER 115 -3.767 11.855 -2.499 860 H LEU 116 H LEU 116 -7.547 11.330 -0.682 861 HA LEU 116 HA LEU 116 -6.711 13.652 0.867 862 HB2 LEU 116 2HB LEU 116 -9.447 12.933 -0.166 863 HB3 LEU 116 1HB LEU 116 -8.946 14.482 0.491 864 HG LEU 116 HG LEU 116 -7.967 13.248 -2.083 865 HD11 LEU 116 1HD1 LEU 116 -9.760 15.618 -1.579 866 HD12 LEU 116 2HD1 LEU 116 -10.264 14.054 -2.219 867 HD13 LEU 116 3HD1 LEU 116 -9.174 15.080 -3.153 868 HD21 LEU 116 3HD2 LEU 116 -6.213 14.556 -1.031 869 HD22 LEU 116 1HD2 LEU 116 -7.324 15.908 -0.814 870 HD23 LEU 116 2HD2 LEU 116 -6.850 15.408 -2.437 Start of MODEL 49 1 H GLU 1 H GLU 1 15.548 18.162 10.089 2 HA GLU 1 HA GLU 1 13.398 16.345 10.423 3 HB2 GLU 1 2HB GLU 1 13.037 15.597 8.097 4 HB3 GLU 1 1HB GLU 1 12.489 17.246 8.358 5 HG2 GLU 1 2HG GLU 1 14.552 18.082 7.330 6 HG3 GLU 1 1HG GLU 1 15.065 16.420 7.039 7 H VAL 2 H VAL 2 14.118 14.253 10.490 8 HA VAL 2 HA VAL 2 16.987 13.885 9.953 9 HB VAL 2 HB VAL 2 16.904 12.029 11.559 10 HG11 VAL 2 1HG1 VAL 2 17.513 14.208 12.386 11 HG12 VAL 2 2HG1 VAL 2 16.530 13.383 13.596 12 HG13 VAL 2 3HG1 VAL 2 15.817 14.644 12.590 13 HG21 VAL 2 3HG2 VAL 2 14.587 11.347 11.241 14 HG22 VAL 2 1HG2 VAL 2 14.031 12.855 11.967 15 HG23 VAL 2 2HG2 VAL 2 14.911 11.679 12.944 16 H GLU 3 H GLU 3 17.690 11.785 9.179 17 HA GLU 3 HA GLU 3 15.645 10.272 7.714 18 HB2 GLU 3 2HB GLU 3 16.688 11.866 6.148 19 HB3 GLU 3 1HB GLU 3 18.272 11.213 6.542 20 HG2 GLU 3 2HG GLU 3 17.687 9.086 5.588 21 HG3 GLU 3 1HG GLU 3 16.031 9.625 5.313 22 H LYS 4 H LYS 4 19.190 10.258 8.125 23 HA LYS 4 HA LYS 4 20.644 8.664 8.833 24 HB2 LYS 4 2HB LYS 4 18.198 7.521 10.192 25 HB3 LYS 4 1HB LYS 4 19.852 7.006 10.493 26 HG2 LYS 4 2HG LYS 4 18.812 9.794 10.958 27 HG3 LYS 4 1HG LYS 4 18.981 8.555 12.203 28 HD2 LYS 4 2HD LYS 4 21.384 8.463 11.800 29 HD3 LYS 4 1HD LYS 4 21.227 9.670 10.523 30 HE2 LYS 4 2HE LYS 4 20.596 10.070 13.445 31 HE3 LYS 4 1HE LYS 4 22.009 10.689 12.592 32 HZ1 LYS 4 3HZ LYS 4 20.358 12.406 12.808 33 HZ2 LYS 4 1HZ LYS 4 19.181 11.434 12.076 34 HZ3 LYS 4 2HZ LYS 4 20.504 11.984 11.177 35 H SER 5 H SER 5 21.420 6.579 8.330 36 HA SER 5 HA SER 5 20.261 5.481 5.940 37 HB2 SER 5 2HB SER 5 22.690 5.662 6.153 38 HB3 SER 5 1HB SER 5 22.663 4.599 7.559 39 HG SER 5 HG SER 5 22.328 2.905 6.298 40 H SER 6 H SER 6 18.348 4.475 6.395 41 HA SER 6 HA SER 6 18.551 2.003 7.962 42 HB2 SER 6 2HB SER 6 16.289 4.005 8.180 43 HB3 SER 6 1HB SER 6 16.315 2.414 8.939 44 HG SER 6 HG SER 6 18.558 3.600 9.618 45 H ASP 7 H ASP 7 16.321 3.872 5.899 46 HA ASP 7 HA ASP 7 15.004 1.577 4.872 47 HB2 ASP 7 2HB ASP 7 13.989 3.127 3.262 48 HB3 ASP 7 1HB ASP 7 13.944 3.791 4.893 49 H GLY 8 H GLY 8 14.956 1.024 2.520 50 HA2 GLY 8 2HA GLY 8 16.554 1.520 0.491 51 HA3 GLY 8 1HA GLY 8 17.710 0.762 1.574 52 HA PRO 9 HA PRO 9 15.889 -2.556 -1.151 53 HB2 PRO 9 2HB PRO 9 18.612 -3.642 -0.722 54 HB3 PRO 9 1HB PRO 9 17.695 -3.468 -2.221 55 HG2 PRO 9 2HG PRO 9 19.756 -1.861 -1.676 56 HG3 PRO 9 1HG PRO 9 18.305 -1.250 -2.495 57 HD2 PRO 9 2HD PRO 9 19.140 -0.952 0.366 58 HD3 PRO 9 1HD PRO 9 18.380 0.234 -0.717 59 H GLY 10 H GLY 10 14.809 -4.204 -0.262 60 HA2 GLY 10 2HA GLY 10 15.507 -6.279 1.217 61 HA3 GLY 10 1HA GLY 10 15.503 -5.031 2.453 62 H ALA 11 H ALA 11 13.474 -3.825 2.758 63 HA ALA 11 HA ALA 11 11.021 -4.756 1.690 64 HB1 ALA 11 1HB ALA 11 11.462 -6.728 3.036 65 HB2 ALA 11 2HB ALA 11 10.109 -5.823 3.716 66 HB3 ALA 11 3HB ALA 11 11.702 -5.726 4.467 67 H ALA 12 H ALA 12 12.591 -3.372 4.540 68 HA ALA 12 HA ALA 12 12.244 -1.474 5.723 69 HB1 ALA 12 1HB ALA 12 12.458 -0.551 3.387 70 HB2 ALA 12 2HB ALA 12 11.621 0.476 4.554 71 HB3 ALA 12 3HB ALA 12 10.697 -0.442 3.364 72 H GLN 13 H GLN 13 9.215 -1.153 3.934 73 HA GLN 13 HA GLN 13 7.738 -1.899 6.361 74 HB2 GLN 13 2HB GLN 13 6.197 0.002 5.978 75 HB3 GLN 13 1HB GLN 13 7.831 0.517 6.366 76 HG2 GLN 13 2HG GLN 13 8.256 0.927 3.985 77 HG3 GLN 13 1HG GLN 13 6.599 0.442 3.617 78 HE21 GLN 13 1HE2 GLN 13 8.637 2.884 5.013 79 HE22 GLN 13 2HE2 GLN 13 7.435 4.121 5.113 80 H GLU 14 H GLU 14 5.887 -3.027 6.043 81 HA GLU 14 HA GLU 14 5.043 -3.467 3.255 82 HB2 GLU 14 2HB GLU 14 4.612 -5.770 3.736 83 HB3 GLU 14 1HB GLU 14 6.238 -5.415 4.300 84 HG2 GLU 14 2HG GLU 14 5.284 -5.125 6.594 85 HG3 GLU 14 1HG GLU 14 3.752 -5.719 5.955 86 HA PRO 15 HA PRO 15 0.960 -2.288 4.398 87 HB2 PRO 15 2HB PRO 15 -0.574 -4.088 3.021 88 HB3 PRO 15 1HB PRO 15 0.220 -2.698 2.280 89 HG2 PRO 15 2HG PRO 15 1.065 -5.560 2.333 90 HG3 PRO 15 1HG PRO 15 1.161 -4.382 1.010 91 HD2 PRO 15 2HD PRO 15 3.302 -5.061 2.523 92 HD3 PRO 15 1HD PRO 15 3.099 -3.443 1.820 93 H THR 16 H THR 16 -0.441 -2.628 6.012 94 HA THR 16 HA THR 16 -0.035 -4.591 7.930 95 HB THR 16 HB THR 16 -2.648 -3.143 7.488 96 HG1 THR 16 1HG THR 16 -1.486 -1.699 9.133 97 HG21 THR 16 3HG2 THR 16 -1.318 -4.242 9.968 98 HG22 THR 16 1HG2 THR 16 -2.755 -4.890 9.176 99 HG23 THR 16 2HG2 THR 16 -2.811 -3.303 9.944 100 H TRP 17 H TRP 17 -1.306 -6.356 8.625 101 HA TRP 17 HA TRP 17 -2.524 -7.830 6.410 102 HB2 TRP 17 2HB TRP 17 -1.569 -8.743 9.130 103 HB3 TRP 17 1HB TRP 17 -2.285 -9.798 7.917 104 HD1 TRP 17 HD TRP 17 0.891 -7.734 8.578 105 HE1 TRP 17 1HE TRP 17 2.777 -8.646 7.083 106 HE3 TRP 17 3HE TRP 17 -1.813 -11.071 5.804 107 HZ2 TRP 17 2HZ TRP 17 3.082 -10.531 5.006 108 HZ3 TRP 17 3HZ TRP 17 -0.648 -12.389 4.082 109 HH2 TRP 17 HH TRP 17 1.748 -12.123 3.691 110 H LEU 18 H LEU 18 -4.579 -6.945 6.328 111 HA LEU 18 HA LEU 18 -6.233 -6.966 8.737 112 HB2 LEU 18 2HB LEU 18 -6.955 -6.098 5.938 113 HB3 LEU 18 1HB LEU 18 -7.869 -5.785 7.403 114 HG LEU 18 HG LEU 18 -5.113 -4.696 6.839 115 HD11 LEU 18 1HD1 LEU 18 -6.277 -2.539 6.567 116 HD12 LEU 18 2HD1 LEU 18 -7.817 -3.396 6.626 117 HD13 LEU 18 3HD1 LEU 18 -6.684 -3.711 5.314 118 HD21 LEU 18 3HD2 LEU 18 -5.496 -4.923 9.199 119 HD22 LEU 18 1HD2 LEU 18 -7.082 -4.167 9.056 120 HD23 LEU 18 2HD2 LEU 18 -5.625 -3.220 8.761 121 H THR 19 H THR 19 -6.017 -9.368 8.769 122 HA THR 19 HA THR 19 -7.304 -10.934 6.761 123 HB THR 19 HB THR 19 -7.031 -12.811 8.309 124 HG1 THR 19 1HG THR 19 -6.179 -12.431 10.380 125 HG21 THR 19 3HG2 THR 19 -4.623 -10.995 8.196 126 HG22 THR 19 1HG2 THR 19 -5.115 -12.153 6.961 127 HG23 THR 19 2HG2 THR 19 -4.584 -12.724 8.543 128 H ASP 20 H ASP 20 -8.623 -8.868 8.958 129 HA ASP 20 HA ASP 20 -11.165 -10.316 8.874 130 HB2 ASP 20 2HB ASP 20 -9.895 -9.190 11.369 131 HB3 ASP 20 1HB ASP 20 -11.603 -9.607 11.257 132 H VAL 21 H VAL 21 -13.001 -9.047 8.872 133 HA VAL 21 HA VAL 21 -12.845 -6.562 7.624 134 HB VAL 21 HB VAL 21 -15.160 -7.608 9.264 135 HG11 VAL 21 1HG1 VAL 21 -15.060 -5.559 7.052 136 HG12 VAL 21 2HG1 VAL 21 -15.372 -5.241 8.759 137 HG13 VAL 21 3HG1 VAL 21 -16.527 -6.177 7.810 138 HG21 VAL 21 3HG2 VAL 21 -14.593 -7.947 6.321 139 HG22 VAL 21 1HG2 VAL 21 -16.006 -8.541 7.193 140 HG23 VAL 21 2HG2 VAL 21 -14.408 -9.202 7.546 141 HA PRO 22 HA PRO 22 -13.856 -4.585 12.007 142 HB2 PRO 22 2HB PRO 22 -12.648 -5.995 14.059 143 HB3 PRO 22 1HB PRO 22 -14.370 -6.061 13.669 144 HG2 PRO 22 2HG PRO 22 -12.175 -7.941 12.896 145 HG3 PRO 22 1HG PRO 22 -13.831 -8.304 13.421 146 HD2 PRO 22 2HD PRO 22 -13.154 -8.423 10.846 147 HD3 PRO 22 1HD PRO 22 -14.736 -7.786 11.341 148 H ALA 23 H ALA 23 -10.894 -6.563 11.798 149 HA ALA 23 HA ALA 23 -9.179 -4.613 12.890 150 HB1 ALA 23 1HB ALA 23 -7.352 -5.962 12.000 151 HB2 ALA 23 2HB ALA 23 -8.490 -6.865 11.000 152 HB3 ALA 23 3HB ALA 23 -8.570 -6.987 12.759 153 H ALA 24 H ALA 24 -10.329 -5.269 9.682 154 HA ALA 24 HA ALA 24 -8.541 -3.613 8.249 155 HB1 ALA 24 1HB ALA 24 -11.381 -4.386 7.549 156 HB2 ALA 24 2HB ALA 24 -9.935 -5.320 7.158 157 HB3 ALA 24 3HB ALA 24 -10.182 -3.727 6.437 158 H MET 25 H MET 25 -11.924 -3.048 9.209 159 HA MET 25 HA MET 25 -12.014 -0.335 8.521 160 HB2 MET 25 2HB MET 25 -13.636 -1.698 10.673 161 HB3 MET 25 1HB MET 25 -14.063 -0.237 9.791 162 HG2 MET 25 2HG MET 25 -14.124 -1.581 7.707 163 HG3 MET 25 1HG MET 25 -13.854 -3.022 8.680 164 HE1 MET 25 3HE MET 25 -15.559 -2.245 11.308 165 HE2 MET 25 1HE MET 25 -15.554 -3.851 10.578 166 HE3 MET 25 2HE MET 25 -17.083 -3.047 10.932 167 H GLU 26 H GLU 26 -10.747 -1.948 11.337 168 HA GLU 26 HA GLU 26 -10.778 0.337 13.044 169 HB2 GLU 26 2HB GLU 26 -9.445 -2.342 13.142 170 HB3 GLU 26 1HB GLU 26 -8.930 -1.077 14.250 171 HG2 GLU 26 2HG GLU 26 -11.367 -0.851 14.897 172 HG3 GLU 26 1HG GLU 26 -11.628 -2.359 14.020 173 H PHE 27 H PHE 27 -8.205 -1.266 11.174 174 HA PHE 27 HA PHE 27 -6.199 0.589 11.768 175 HB2 PHE 27 2HB PHE 27 -6.600 -1.502 9.710 176 HB3 PHE 27 1HB PHE 27 -5.433 -0.241 9.314 177 HD1 PHE 27 1HD PHE 27 -3.434 0.078 10.690 178 HD2 PHE 27 2HD PHE 27 -6.149 -3.115 11.421 179 HE1 PHE 27 1HE PHE 27 -1.737 -1.041 12.073 180 HE2 PHE 27 2HE PHE 27 -4.456 -4.243 12.805 181 HZ PHE 27 HZ PHE 27 -2.247 -3.205 13.135 182 H ILE 28 H ILE 28 -8.741 0.589 9.346 183 HA ILE 28 HA ILE 28 -7.788 2.892 7.935 184 HB ILE 28 HB ILE 28 -10.459 1.497 8.032 185 HG12 ILE 28 2HG1 ILE 28 -8.643 1.942 5.666 186 HG13 ILE 28 1HG1 ILE 28 -8.430 0.578 6.764 187 HG21 ILE 28 1HG2 ILE 28 -9.760 4.008 6.523 188 HG22 ILE 28 2HG2 ILE 28 -11.008 3.815 7.753 189 HG23 ILE 28 3HG2 ILE 28 -11.176 3.012 6.194 190 HD11 ILE 28 3HD1 ILE 28 -11.052 1.107 5.420 191 HD12 ILE 28 1HD1 ILE 28 -10.455 -0.391 6.133 192 HD13 ILE 28 2HD1 ILE 28 -9.765 0.205 4.623 193 H ALA 29 H ALA 29 -10.022 2.307 10.593 194 HA ALA 29 HA ALA 29 -10.968 4.991 10.789 195 HB1 ALA 29 1HB ALA 29 -11.060 2.711 12.768 196 HB2 ALA 29 2HB ALA 29 -12.322 3.170 11.623 197 HB3 ALA 29 3HB ALA 29 -11.907 4.247 12.956 198 H ALA 30 H ALA 30 -8.116 3.403 11.764 199 HA ALA 30 HA ALA 30 -7.525 5.387 13.837 200 HB1 ALA 30 1HB ALA 30 -7.107 3.031 14.359 201 HB2 ALA 30 2HB ALA 30 -5.622 3.981 14.395 202 HB3 ALA 30 3HB ALA 30 -5.969 2.940 13.015 203 H THR 31 H THR 31 -7.599 5.982 10.919 204 HA THR 31 HA THR 31 -5.297 7.629 10.799 205 HB THR 31 HB THR 31 -4.166 5.515 10.290 206 HG1 THR 31 1HG THR 31 -3.645 7.581 9.174 207 HG21 THR 31 3HG2 THR 31 -4.751 4.111 8.527 208 HG22 THR 31 1HG2 THR 31 -5.746 5.341 7.750 209 HG23 THR 31 2HG2 THR 31 -6.308 4.554 9.223 210 H GLU 32 H GLU 32 -5.296 9.033 8.994 211 HA GLU 32 HA GLU 32 -7.810 9.733 7.967 212 HB2 GLU 32 2HB GLU 32 -5.002 10.538 7.471 213 HB3 GLU 32 1HB GLU 32 -6.146 10.891 6.184 214 HG2 GLU 32 2HG GLU 32 -6.079 12.806 7.493 215 HG3 GLU 32 1HG GLU 32 -7.574 11.989 7.947 216 H VAL 33 H VAL 33 -5.253 9.250 5.667 217 HA VAL 33 HA VAL 33 -7.062 7.884 3.877 218 HB VAL 33 HB VAL 33 -4.175 8.594 3.397 219 HG11 VAL 33 1HG1 VAL 33 -6.512 8.123 1.554 220 HG12 VAL 33 2HG1 VAL 33 -5.072 7.116 1.730 221 HG13 VAL 33 3HG1 VAL 33 -4.937 8.734 1.039 222 HG21 VAL 33 3HG2 VAL 33 -6.614 10.305 2.936 223 HG22 VAL 33 1HG2 VAL 33 -4.956 10.720 2.502 224 HG23 VAL 33 2HG2 VAL 33 -5.413 10.564 4.204 225 H ALA 34 H ALA 34 -7.015 5.767 3.372 226 HA ALA 34 HA ALA 34 -4.767 4.128 4.295 227 HB1 ALA 34 1HB ALA 34 -6.352 3.897 6.058 228 HB2 ALA 34 2HB ALA 34 -6.408 2.416 5.099 229 HB3 ALA 34 3HB ALA 34 -7.670 3.635 4.917 230 H VAL 35 H VAL 35 -4.054 2.853 2.731 231 HA VAL 35 HA VAL 35 -5.922 2.110 0.582 232 HB VAL 35 HB VAL 35 -2.944 2.570 0.489 233 HG11 VAL 35 1HG1 VAL 35 -3.398 0.548 -0.783 234 HG12 VAL 35 2HG1 VAL 35 -3.067 1.884 -1.883 235 HG13 VAL 35 3HG1 VAL 35 -4.726 1.348 -1.624 236 HG21 VAL 35 3HG2 VAL 35 -5.312 3.775 -0.934 237 HG22 VAL 35 1HG2 VAL 35 -3.624 4.178 -1.265 238 HG23 VAL 35 2HG2 VAL 35 -4.325 4.541 0.314 239 H ILE 36 H ILE 36 -6.307 0.039 0.228 240 HA ILE 36 HA ILE 36 -4.584 -1.946 1.534 241 HB ILE 36 HB ILE 36 -7.591 -1.829 1.734 242 HG12 ILE 36 2HG1 ILE 36 -5.688 -1.848 4.043 243 HG13 ILE 36 1HG1 ILE 36 -5.960 -0.346 3.170 244 HG21 ILE 36 1HG2 ILE 36 -5.624 -3.909 2.689 245 HG22 ILE 36 2HG2 ILE 36 -6.948 -4.126 1.541 246 HG23 ILE 36 3HG2 ILE 36 -7.298 -3.801 3.240 247 HD11 ILE 36 3HD1 ILE 36 -8.387 -0.626 3.606 248 HD12 ILE 36 1HD1 ILE 36 -7.397 -0.387 5.047 249 HD13 ILE 36 2HD1 ILE 36 -7.983 -2.001 4.634 250 H GLY 37 H GLY 37 -4.211 -3.754 0.435 251 HA2 GLY 37 2HA GLY 37 -5.434 -3.998 -2.214 252 HA3 GLY 37 1HA GLY 37 -3.937 -4.755 -1.701 253 H PHE 38 H PHE 38 -7.361 -5.055 -1.925 254 HA PHE 38 HA PHE 38 -7.522 -7.443 -0.288 255 HB2 PHE 38 2HB PHE 38 -9.590 -6.264 -2.158 256 HB3 PHE 38 1HB PHE 38 -9.869 -7.467 -0.905 257 HD1 PHE 38 2HD PHE 38 -8.574 -4.001 -1.325 258 HD2 PHE 38 1HD PHE 38 -10.620 -6.784 1.158 259 HE1 PHE 38 2HE PHE 38 -9.033 -2.213 0.295 260 HE2 PHE 38 1HE PHE 38 -11.086 -4.993 2.782 261 HZ PHE 38 HZ PHE 38 -10.292 -2.706 2.350 262 H PHE 39 H PHE 39 -6.125 -8.892 -1.263 263 HA PHE 39 HA PHE 39 -6.767 -9.673 -4.025 264 HB2 PHE 39 2HB PHE 39 -4.237 -10.290 -2.505 265 HB3 PHE 39 1HB PHE 39 -4.525 -10.477 -4.234 266 HD1 PHE 39 1HD PHE 39 -5.756 -7.959 -4.982 267 HD2 PHE 39 2HD PHE 39 -2.563 -8.719 -2.277 268 HE1 PHE 39 1HE PHE 39 -4.884 -5.696 -5.381 269 HE2 PHE 39 2HE PHE 39 -1.687 -6.453 -2.668 270 HZ PHE 39 HZ PHE 39 -2.849 -4.939 -4.223 271 H GLN 40 H GLN 40 -7.272 -11.717 -4.545 272 HA GLN 40 HA GLN 40 -7.869 -13.564 -2.383 273 HB2 GLN 40 2HB GLN 40 -8.324 -13.772 -5.372 274 HB3 GLN 40 1HB GLN 40 -8.889 -14.938 -4.184 275 HG2 GLN 40 2HG GLN 40 -10.373 -13.341 -3.217 276 HG3 GLN 40 1HG GLN 40 -9.694 -12.040 -4.195 277 HE21 GLN 40 1HE2 GLN 40 -12.447 -12.996 -3.988 278 HE22 GLN 40 2HE2 GLN 40 -12.924 -13.430 -5.591 279 H ASP 41 H ASP 41 -5.305 -12.757 -4.248 280 HA ASP 41 HA ASP 41 -3.852 -15.184 -3.621 281 HB2 ASP 41 2HB ASP 41 -4.828 -15.633 -5.868 282 HB3 ASP 41 1HB ASP 41 -4.051 -14.170 -6.475 283 H LEU 42 H LEU 42 -1.971 -14.509 -2.771 284 HA LEU 42 HA LEU 42 -1.102 -11.785 -3.296 285 HB2 LEU 42 2HB LEU 42 -0.083 -13.834 -1.334 286 HB3 LEU 42 1HB LEU 42 0.517 -12.189 -1.467 287 HG LEU 42 HG LEU 42 -2.300 -12.963 -0.718 288 HD11 LEU 42 1HD1 LEU 42 -0.729 -13.522 1.040 289 HD12 LEU 42 2HD1 LEU 42 -1.682 -12.111 1.503 290 HD13 LEU 42 3HD1 LEU 42 -0.019 -11.909 0.950 291 HD21 LEU 42 3HD2 LEU 42 -2.343 -10.859 -1.844 292 HD22 LEU 42 1HD2 LEU 42 -0.926 -10.290 -0.959 293 HD23 LEU 42 2HD2 LEU 42 -2.454 -10.534 -0.113 294 H GLU 43 H GLU 43 -0.823 -13.303 -5.520 295 HA GLU 43 HA GLU 43 2.093 -13.356 -5.811 296 HB2 GLU 43 2HB GLU 43 0.228 -15.466 -6.912 297 HB3 GLU 43 1HB GLU 43 1.954 -15.363 -7.227 298 HG2 GLU 43 2HG GLU 43 2.365 -15.665 -4.814 299 HG3 GLU 43 1HG GLU 43 0.631 -15.889 -4.582 300 H ILE 44 H ILE 44 -0.494 -11.781 -6.580 301 HA ILE 44 HA ILE 44 -0.185 -11.673 -9.480 302 HB ILE 44 HB ILE 44 -2.014 -9.876 -9.226 303 HG12 ILE 44 2HG1 ILE 44 -2.606 -11.232 -6.634 304 HG13 ILE 44 1HG1 ILE 44 -1.493 -9.875 -6.657 305 HG21 ILE 44 1HG2 ILE 44 -3.739 -11.540 -9.252 306 HG22 ILE 44 2HG2 ILE 44 -2.706 -12.695 -8.405 307 HG23 ILE 44 3HG2 ILE 44 -2.317 -12.205 -10.057 308 HD11 ILE 44 3HD1 ILE 44 -4.406 -9.953 -7.086 309 HD12 ILE 44 1HD1 ILE 44 -3.480 -8.781 -8.024 310 HD13 ILE 44 2HD1 ILE 44 -3.405 -8.755 -6.262 311 HA PRO 45 HA PRO 45 2.398 -8.111 -9.863 312 HB2 PRO 45 2HB PRO 45 0.140 -6.857 -11.366 313 HB3 PRO 45 1HB PRO 45 1.839 -7.003 -11.817 314 HG2 PRO 45 2HG PRO 45 0.032 -8.593 -12.924 315 HG3 PRO 45 1HG PRO 45 1.614 -9.239 -12.442 316 HD2 PRO 45 2HD PRO 45 -1.046 -9.543 -11.115 317 HD3 PRO 45 1HD PRO 45 0.286 -10.707 -11.253 318 H ALA 46 H ALA 46 -0.911 -7.683 -8.823 319 HA ALA 46 HA ALA 46 -0.763 -4.981 -8.039 320 HB1 ALA 46 1HB ALA 46 -2.834 -6.376 -8.396 321 HB2 ALA 46 2HB ALA 46 -2.842 -5.320 -6.980 322 HB3 ALA 46 3HB ALA 46 -2.543 -7.051 -6.791 323 H VAL 47 H VAL 47 -0.020 -7.969 -6.292 324 HA VAL 47 HA VAL 47 0.122 -6.837 -3.730 325 HB VAL 47 HB VAL 47 1.906 -9.119 -4.497 326 HG11 VAL 47 1HG1 VAL 47 1.246 -9.923 -2.262 327 HG12 VAL 47 2HG1 VAL 47 0.263 -8.474 -2.048 328 HG13 VAL 47 3HG1 VAL 47 2.014 -8.338 -2.209 329 HG21 VAL 47 3HG2 VAL 47 -0.234 -9.523 -5.621 330 HG22 VAL 47 1HG2 VAL 47 -1.078 -9.291 -4.090 331 HG23 VAL 47 2HG2 VAL 47 0.025 -10.652 -4.291 332 HA PRO 48 HA PRO 48 4.935 -6.321 -4.445 333 HB2 PRO 48 2HB PRO 48 5.019 -6.095 -7.399 334 HB3 PRO 48 1HB PRO 48 6.140 -6.913 -6.302 335 HG2 PRO 48 2HG PRO 48 4.472 -8.304 -7.847 336 HG3 PRO 48 1HG PRO 48 4.837 -8.826 -6.190 337 HD2 PRO 48 2HD PRO 48 2.417 -7.420 -7.244 338 HD3 PRO 48 1HD PRO 48 2.526 -8.732 -6.060 339 H ILE 49 H ILE 49 2.731 -4.990 -6.855 340 HA ILE 49 HA ILE 49 3.904 -2.439 -7.042 341 HB ILE 49 HB ILE 49 1.284 -3.615 -7.810 342 HG12 ILE 49 2HG1 ILE 49 3.061 -1.945 -9.528 343 HG13 ILE 49 1HG1 ILE 49 3.571 -3.573 -9.092 344 HG21 ILE 49 1HG2 ILE 49 0.384 -1.607 -7.106 345 HG22 ILE 49 2HG2 ILE 49 0.749 -1.300 -8.803 346 HG23 ILE 49 3HG2 ILE 49 1.826 -0.695 -7.544 347 HD11 ILE 49 3HD1 ILE 49 0.886 -3.044 -10.305 348 HD12 ILE 49 1HD1 ILE 49 1.793 -4.556 -10.228 349 HD13 ILE 49 2HD1 ILE 49 2.333 -3.256 -11.292 350 H LEU 50 H LEU 50 1.497 -3.796 -4.868 351 HA LEU 50 HA LEU 50 0.797 -1.272 -3.702 352 HB2 LEU 50 2HB LEU 50 -0.809 -3.053 -3.590 353 HB3 LEU 50 1HB LEU 50 0.340 -4.112 -2.804 354 HG LEU 50 HG LEU 50 0.332 -2.516 -0.851 355 HD11 LEU 50 1HD1 LEU 50 -0.542 -0.571 -2.072 356 HD12 LEU 50 2HD1 LEU 50 -1.502 -0.954 -0.644 357 HD13 LEU 50 3HD1 LEU 50 -2.090 -1.395 -2.249 358 HD21 LEU 50 3HD2 LEU 50 -2.392 -3.660 -1.436 359 HD22 LEU 50 1HD2 LEU 50 -1.595 -3.462 0.129 360 HD23 LEU 50 2HD2 LEU 50 -0.999 -4.664 -1.020 361 H HIS 51 H HIS 51 2.755 -4.047 -2.614 362 HA HIS 51 HA HIS 51 3.702 -2.990 -0.237 363 HB2 HIS 51 2HB HIS 51 4.970 -4.865 -2.230 364 HB3 HIS 51 1HB HIS 51 5.798 -4.395 -0.749 365 HD1 HIS 51 1HD HIS 51 2.267 -5.651 -1.484 366 HD2 HIS 51 2HD HIS 51 5.473 -6.342 1.067 367 HE1 HIS 51 1HE HIS 51 1.527 -7.507 0.041 368 HE2 HIS 51 2HE HIS 51 3.519 -7.977 1.507 369 H SER 52 H SER 52 4.477 -2.211 -3.510 370 HA SER 52 HA SER 52 6.903 -0.775 -2.893 371 HB2 SER 52 2HB SER 52 6.655 -1.862 -5.077 372 HB3 SER 52 1HB SER 52 5.245 -0.863 -5.429 373 HG SER 52 HG SER 52 7.216 0.763 -4.752 374 H MET 53 H MET 53 3.580 0.090 -3.856 375 HA MET 53 HA MET 53 3.926 2.864 -3.833 376 HB2 MET 53 2HB MET 53 1.626 3.040 -4.005 377 HB3 MET 53 1HB MET 53 1.896 1.411 -4.600 378 HG2 MET 53 2HG MET 53 0.080 1.175 -3.200 379 HG3 MET 53 1HG MET 53 1.430 0.672 -2.191 380 HE1 MET 53 3HE MET 53 -1.156 1.210 -0.708 381 HE2 MET 53 1HE MET 53 -0.680 2.333 0.565 382 HE3 MET 53 2HE MET 53 0.374 0.984 0.142 383 H VAL 54 H VAL 54 3.616 0.554 -1.301 384 HA VAL 54 HA VAL 54 2.736 2.035 0.848 385 HB VAL 54 HB VAL 54 4.807 -0.146 0.743 386 HG11 VAL 54 1HG1 VAL 54 3.483 1.057 3.160 387 HG12 VAL 54 2HG1 VAL 54 5.192 1.163 2.743 388 HG13 VAL 54 3HG1 VAL 54 4.480 -0.398 3.159 389 HG21 VAL 54 3HG2 VAL 54 1.856 -0.055 1.199 390 HG22 VAL 54 1HG2 VAL 54 2.825 -1.366 1.874 391 HG23 VAL 54 2HG2 VAL 54 2.792 -1.099 0.132 392 H GLN 55 H GLN 55 6.073 1.674 -0.318 393 HA GLN 55 HA GLN 55 7.102 3.541 1.598 394 HB2 GLN 55 2HB GLN 55 8.510 2.605 -0.883 395 HB3 GLN 55 1HB GLN 55 9.205 3.139 0.642 396 HG2 GLN 55 2HG GLN 55 8.204 1.128 1.719 397 HG3 GLN 55 1HG GLN 55 7.728 0.577 0.114 398 HE21 GLN 55 1HE2 GLN 55 8.995 -1.262 0.254 399 HE22 GLN 55 2HE2 GLN 55 10.718 -1.208 0.141 400 H LYS 56 H LYS 56 5.465 3.830 -1.319 401 HA LYS 56 HA LYS 56 6.728 6.339 -2.100 402 HB2 LYS 56 2HB LYS 56 4.400 4.850 -3.332 403 HB3 LYS 56 1HB LYS 56 5.185 6.269 -4.010 404 HG2 LYS 56 2HG LYS 56 7.248 5.026 -4.288 405 HG3 LYS 56 1HG LYS 56 6.505 3.603 -3.554 406 HD2 LYS 56 2HD LYS 56 6.395 3.257 -5.889 407 HD3 LYS 56 1HD LYS 56 4.769 3.740 -5.401 408 HE2 LYS 56 2HE LYS 56 5.260 4.961 -7.369 409 HE3 LYS 56 1HE LYS 56 5.410 6.096 -6.028 410 HZ1 LYS 56 3HZ LYS 56 7.648 4.726 -7.415 411 HZ2 LYS 56 1HZ LYS 56 7.817 5.755 -6.081 412 HZ3 LYS 56 2HZ LYS 56 7.238 6.361 -7.551 413 H PHE 57 H PHE 57 4.129 5.166 -0.255 414 HA PHE 57 HA PHE 57 3.119 7.895 0.105 415 HB2 PHE 57 2HB PHE 57 1.541 5.434 -0.560 416 HB3 PHE 57 1HB PHE 57 0.804 6.757 0.341 417 HD1 PHE 57 2HD PHE 57 0.529 8.961 -0.695 418 HD2 PHE 57 1HD PHE 57 2.006 5.628 -2.889 419 HE1 PHE 57 2HE PHE 57 0.068 10.150 -2.799 420 HE2 PHE 57 1HE PHE 57 1.550 6.811 -4.999 421 HZ PHE 57 HZ PHE 57 0.579 9.075 -4.955 422 HA PRO 58 HA PRO 58 4.290 5.595 4.101 423 HB2 PRO 58 2HB PRO 58 5.275 7.992 5.152 424 HB3 PRO 58 1HB PRO 58 6.249 6.694 4.458 425 HG2 PRO 58 2HG PRO 58 5.276 9.220 3.191 426 HG3 PRO 58 1HG PRO 58 6.843 8.403 3.010 427 HD2 PRO 58 2HD PRO 58 5.004 8.213 1.101 428 HD3 PRO 58 1HD PRO 58 5.968 6.794 1.557 429 H GLY 59 H GLY 59 3.036 8.889 3.567 430 HA2 GLY 59 2HA GLY 59 1.652 9.192 5.967 431 HA3 GLY 59 1HA GLY 59 1.214 9.972 4.451 432 H VAL 60 H VAL 60 0.646 7.711 2.932 433 HA VAL 60 HA VAL 60 -2.030 7.171 3.678 434 HB VAL 60 HB VAL 60 -0.186 6.055 1.574 435 HG11 VAL 60 1HG1 VAL 60 -2.061 4.750 0.670 436 HG12 VAL 60 2HG1 VAL 60 -3.028 5.168 2.085 437 HG13 VAL 60 3HG1 VAL 60 -1.579 4.179 2.270 438 HG21 VAL 60 3HG2 VAL 60 -1.073 8.246 1.144 439 HG22 VAL 60 1HG2 VAL 60 -2.712 7.699 1.497 440 HG23 VAL 60 2HG2 VAL 60 -1.867 7.093 0.071 441 H SER 61 H SER 61 -2.967 5.290 4.518 442 HA SER 61 HA SER 61 -1.200 3.725 6.193 443 HB2 SER 61 2HB SER 61 -3.361 4.554 7.066 444 HB3 SER 61 1HB SER 61 -4.202 3.549 5.890 445 HG SER 61 HG SER 61 -3.073 1.738 6.891 446 H PHE 62 H PHE 62 -0.061 2.300 5.024 447 HA PHE 62 HA PHE 62 -1.026 0.838 2.819 448 HB2 PHE 62 2HB PHE 62 0.996 -0.683 3.429 449 HB3 PHE 62 1HB PHE 62 1.293 0.973 2.906 450 HD1 PHE 62 2HD PHE 62 1.276 -1.305 5.792 451 HD2 PHE 62 1HD PHE 62 2.170 2.617 4.410 452 HE1 PHE 62 2HE PHE 62 2.533 -0.867 7.860 453 HE2 PHE 62 1HE PHE 62 3.424 3.065 6.477 454 HZ PHE 62 HZ PHE 62 3.607 1.321 8.205 455 H GLY 63 H GLY 63 -2.210 -0.944 2.683 456 HA2 GLY 63 2HA GLY 63 -2.314 -2.808 4.929 457 HA3 GLY 63 1HA GLY 63 -3.827 -2.049 4.450 458 H ILE 64 H ILE 64 -3.439 -4.809 4.401 459 HA ILE 64 HA ILE 64 -4.118 -5.341 1.662 460 HB ILE 64 HB ILE 64 -1.499 -5.476 2.005 461 HG12 ILE 64 2HG1 ILE 64 -3.065 -7.560 0.481 462 HG13 ILE 64 1HG1 ILE 64 -2.705 -5.934 -0.081 463 HG21 ILE 64 1HG2 ILE 64 -1.537 -7.038 3.863 464 HG22 ILE 64 2HG2 ILE 64 -0.737 -7.756 2.464 465 HG23 ILE 64 3HG2 ILE 64 -2.387 -8.220 2.870 466 HD11 ILE 64 3HD1 ILE 64 -0.324 -6.454 -0.068 467 HD12 ILE 64 1HD1 ILE 64 -1.225 -7.569 -1.095 468 HD13 ILE 64 2HD1 ILE 64 -0.682 -8.087 0.500 469 H SER 65 H SER 65 -5.350 -7.180 1.454 470 HA SER 65 HA SER 65 -5.637 -8.914 3.792 471 HB2 SER 65 2HB SER 65 -7.330 -7.207 4.143 472 HB3 SER 65 1HB SER 65 -7.932 -7.425 2.499 473 HG SER 65 HG SER 65 -8.569 -9.523 3.069 474 H THR 66 H THR 66 -6.679 -10.918 3.373 475 HA THR 66 HA THR 66 -7.096 -11.605 0.557 476 HB THR 66 HB THR 66 -5.819 -13.709 0.835 477 HG1 THR 66 1HG THR 66 -5.682 -14.033 3.001 478 HG21 THR 66 3HG2 THR 66 -3.633 -12.753 0.573 479 HG22 THR 66 1HG2 THR 66 -4.133 -11.276 1.395 480 HG23 THR 66 2HG2 THR 66 -4.808 -11.678 -0.184 481 H ASP 67 H ASP 67 -8.202 -11.602 3.648 482 HA ASP 67 HA ASP 67 -9.402 -14.184 3.821 483 HB2 ASP 67 2HB ASP 67 -8.928 -12.784 5.809 484 HB3 ASP 67 1HB ASP 67 -10.148 -11.634 5.270 485 H SER 68 H SER 68 -11.483 -14.820 3.391 486 HA SER 68 HA SER 68 -12.766 -13.630 1.192 487 HB2 SER 68 2HB SER 68 -14.587 -15.263 1.654 488 HB3 SER 68 1HB SER 68 -12.988 -16.006 1.638 489 HG SER 68 HG SER 68 -13.376 -16.643 3.589 490 H GLU 69 H GLU 69 -13.685 -13.695 4.641 491 HA GLU 69 HA GLU 69 -16.082 -12.353 4.509 492 HB2 GLU 69 2HB GLU 69 -14.013 -11.982 6.669 493 HB3 GLU 69 1HB GLU 69 -15.742 -11.696 6.809 494 HG2 GLU 69 2HG GLU 69 -16.097 -14.121 6.326 495 HG3 GLU 69 1HG GLU 69 -14.350 -14.335 6.438 496 H VAL 70 H VAL 70 -12.838 -10.918 4.666 497 HA VAL 70 HA VAL 70 -13.803 -8.244 4.714 498 HB VAL 70 HB VAL 70 -11.084 -9.344 3.994 499 HG11 VAL 70 1HG1 VAL 70 -10.263 -7.035 4.256 500 HG12 VAL 70 2HG1 VAL 70 -11.930 -6.479 4.386 501 HG13 VAL 70 3HG1 VAL 70 -11.359 -7.214 2.886 502 HG21 VAL 70 3HG2 VAL 70 -10.424 -8.549 6.189 503 HG22 VAL 70 1HG2 VAL 70 -11.778 -9.672 6.326 504 HG23 VAL 70 2HG2 VAL 70 -12.051 -7.935 6.475 505 H LEU 71 H LEU 71 -12.324 -10.213 2.146 506 HA LEU 71 HA LEU 71 -12.616 -8.354 0.079 507 HB2 LEU 71 2HB LEU 71 -12.275 -11.313 0.211 508 HB3 LEU 71 1HB LEU 71 -12.711 -10.588 -1.327 509 HG LEU 71 HG LEU 71 -10.701 -9.320 -1.411 510 HD11 LEU 71 1HD1 LEU 71 -10.190 -10.229 1.414 511 HD12 LEU 71 2HD1 LEU 71 -10.569 -8.590 0.884 512 HD13 LEU 71 3HD1 LEU 71 -9.045 -9.342 0.409 513 HD21 LEU 71 3HD2 LEU 71 -8.987 -11.042 -1.342 514 HD22 LEU 71 1HD2 LEU 71 -10.483 -11.672 -2.033 515 HD23 LEU 71 2HD2 LEU 71 -10.042 -12.070 -0.372 516 H THR 72 H THR 72 -14.939 -10.123 1.778 517 HA THR 72 HA THR 72 -16.931 -10.032 -0.347 518 HB THR 72 HB THR 72 -17.131 -11.004 2.514 519 HG1 THR 72 1HG THR 72 -17.225 -12.527 0.110 520 HG21 THR 72 3HG2 THR 72 -19.308 -10.282 1.866 521 HG22 THR 72 1HG2 THR 72 -19.284 -12.035 1.675 522 HG23 THR 72 2HG2 THR 72 -19.139 -10.988 0.261 523 H HIS 73 H HIS 73 -16.260 -8.594 2.804 524 HA HIS 73 HA HIS 73 -18.580 -7.056 3.068 525 HB2 HIS 73 2HB HIS 73 -16.963 -7.446 4.894 526 HB3 HIS 73 1HB HIS 73 -15.789 -6.430 4.066 527 HD1 HIS 73 1HD HIS 73 -18.680 -6.297 6.340 528 HD2 HIS 73 2HD HIS 73 -16.495 -3.642 4.009 529 HE1 HIS 73 1HE HIS 73 -19.300 -4.005 7.170 530 HE2 HIS 73 2HE HIS 73 -18.033 -2.412 5.686 531 H TYR 74 H TYR 74 -15.505 -6.392 1.458 532 HA TYR 74 HA TYR 74 -16.458 -3.766 0.617 533 HB2 TYR 74 2HB TYR 74 -13.809 -5.177 0.350 534 HB3 TYR 74 1HB TYR 74 -14.150 -3.657 -0.470 535 HD1 TYR 74 2HD TYR 74 -13.927 -5.246 2.876 536 HD2 TYR 74 1HD TYR 74 -13.979 -1.605 0.674 537 HE1 TYR 74 2HE TYR 74 -13.286 -4.014 4.906 538 HE2 TYR 74 1HE TYR 74 -13.337 -0.365 2.698 539 HH TYR 74 HH TYR 74 -13.497 -0.668 5.170 540 H ASN 75 H ASN 75 -17.327 -6.584 -0.361 541 HA ASN 75 HA ASN 75 -18.063 -7.534 -2.290 542 HB2 ASN 75 2HB ASN 75 -18.010 -4.639 -3.142 543 HB3 ASN 75 1HB ASN 75 -18.734 -5.929 -4.098 544 HD21 ASN 75 1HD2 ASN 75 -20.626 -6.905 -3.383 545 HD22 ASN 75 2HD2 ASN 75 -21.622 -6.195 -2.164 546 H ILE 76 H ILE 76 -15.119 -7.120 -1.879 547 HA ILE 76 HA ILE 76 -13.812 -6.569 -4.291 548 HB ILE 76 HB ILE 76 -12.926 -8.542 -2.186 549 HG12 ILE 76 2HG1 ILE 76 -13.482 -6.392 -1.161 550 HG13 ILE 76 1HG1 ILE 76 -11.747 -6.655 -1.148 551 HG21 ILE 76 1HG2 ILE 76 -11.394 -6.987 -4.253 552 HG22 ILE 76 2HG2 ILE 76 -11.615 -8.733 -4.182 553 HG23 ILE 76 3HG2 ILE 76 -10.658 -7.914 -2.949 554 HD11 ILE 76 3HD1 ILE 76 -11.469 -5.141 -3.010 555 HD12 ILE 76 1HD1 ILE 76 -12.347 -4.348 -1.702 556 HD13 ILE 76 2HD1 ILE 76 -13.216 -4.927 -3.123 557 H THR 77 H THR 77 -13.935 -7.585 -6.183 558 HA THR 77 HA THR 77 -14.147 -10.508 -6.226 559 HB THR 77 HB THR 77 -15.804 -10.408 -8.065 560 HG1 THR 77 1HG THR 77 -16.261 -8.532 -8.913 561 HG21 THR 77 3HG2 THR 77 -16.685 -9.079 -5.503 562 HG22 THR 77 1HG2 THR 77 -16.569 -10.814 -5.791 563 HG23 THR 77 2HG2 THR 77 -17.750 -9.851 -6.676 564 H GLY 78 H GLY 78 -11.774 -9.543 -6.627 565 HA2 GLY 78 2HA GLY 78 -10.773 -10.436 -8.942 566 HA3 GLY 78 1HA GLY 78 -11.332 -8.838 -9.415 567 H ASN 79 H ASN 79 -9.799 -9.941 -6.402 568 HA ASN 79 HA ASN 79 -8.016 -9.113 -5.246 569 HB2 ASN 79 2HB ASN 79 -6.878 -8.889 -8.040 570 HB3 ASN 79 1HB ASN 79 -5.942 -8.892 -6.549 571 HD21 ASN 79 1HD2 ASN 79 -7.908 -10.794 -8.705 572 HD22 ASN 79 2HD2 ASN 79 -7.402 -12.340 -8.122 573 H THR 80 H THR 80 -9.978 -7.259 -5.677 574 HA THR 80 HA THR 80 -9.110 -4.823 -6.824 575 HB THR 80 HB THR 80 -11.253 -5.378 -4.758 576 HG1 THR 80 1HG THR 80 -12.451 -5.901 -6.428 577 HG21 THR 80 3HG2 THR 80 -10.628 -3.022 -4.704 578 HG22 THR 80 1HG2 THR 80 -12.219 -3.220 -5.441 579 HG23 THR 80 2HG2 THR 80 -10.809 -2.919 -6.455 580 H ILE 81 H ILE 81 -8.550 -2.868 -5.813 581 HA ILE 81 HA ILE 81 -7.381 -3.085 -3.108 582 HB ILE 81 HB ILE 81 -6.422 -1.438 -5.461 583 HG12 ILE 81 2HG1 ILE 81 -5.108 -3.688 -3.925 584 HG13 ILE 81 1HG1 ILE 81 -5.760 -3.800 -5.555 585 HG21 ILE 81 1HG2 ILE 81 -6.266 -0.186 -3.349 586 HG22 ILE 81 2HG2 ILE 81 -4.680 -0.582 -4.011 587 HG23 ILE 81 3HG2 ILE 81 -5.322 -1.505 -2.653 588 HD11 ILE 81 3HD1 ILE 81 -3.382 -3.603 -5.670 589 HD12 ILE 81 1HD1 ILE 81 -3.408 -2.160 -4.655 590 HD13 ILE 81 2HD1 ILE 81 -4.106 -2.110 -6.275 591 H CYS 82 H CYS 82 -8.492 -1.873 -1.674 592 HA CYS 82 HA CYS 82 -10.053 0.365 -2.752 593 HB2 CYS 82 2HB CYS 82 -10.444 -1.201 -0.211 594 HB3 CYS 82 1HB CYS 82 -11.431 0.170 -0.705 595 HG CYS 82 HG CYS 82 -11.177 -2.745 -2.480 596 H LEU 83 H LEU 83 -9.825 2.379 -2.090 597 HA LEU 83 HA LEU 83 -7.835 2.939 -0.002 598 HB2 LEU 83 2HB LEU 83 -7.009 3.938 -1.909 599 HB3 LEU 83 1HB LEU 83 -8.598 4.298 -2.542 600 HG LEU 83 HG LEU 83 -8.848 6.175 -1.054 601 HD11 LEU 83 1HD1 LEU 83 -7.540 5.050 0.833 602 HD12 LEU 83 2HD1 LEU 83 -7.369 6.795 0.639 603 HD13 LEU 83 3HD1 LEU 83 -6.101 5.712 0.056 604 HD21 LEU 83 3HD2 LEU 83 -7.718 6.698 -3.082 605 HD22 LEU 83 1HD2 LEU 83 -6.184 6.097 -2.451 606 HD23 LEU 83 2HD2 LEU 83 -6.899 7.563 -1.781 607 H PHE 84 H PHE 84 -8.952 3.215 1.868 608 HA PHE 84 HA PHE 84 -11.450 4.730 1.813 609 HB2 PHE 84 2HB PHE 84 -11.016 2.463 3.083 610 HB3 PHE 84 1HB PHE 84 -10.339 3.525 4.313 611 HD1 PHE 84 2HD PHE 84 -11.839 5.471 5.112 612 HD2 PHE 84 1HD PHE 84 -13.288 2.053 3.029 613 HE1 PHE 84 2HE PHE 84 -14.101 5.909 5.973 614 HE2 PHE 84 1HE PHE 84 -15.553 2.485 3.887 615 HZ PHE 84 HZ PHE 84 -15.961 4.416 5.362 616 H ARG 85 H ARG 85 -11.440 6.832 2.244 617 HA ARG 85 HA ARG 85 -9.133 7.977 3.674 618 HB2 ARG 85 2HB ARG 85 -11.066 9.810 2.403 619 HB3 ARG 85 1HB ARG 85 -9.307 9.827 2.384 620 HG2 ARG 85 2HG ARG 85 -9.307 8.059 0.695 621 HG3 ARG 85 1HG ARG 85 -11.077 8.067 0.702 622 HD2 ARG 85 2HD ARG 85 -9.253 10.327 -0.114 623 HD3 ARG 85 1HD ARG 85 -10.286 9.361 -1.169 624 HE ARG 85 HE ARG 85 -11.844 10.615 0.823 625 HH11 ARG 85 1HH1 ARG 85 -10.052 11.318 -2.081 626 HH12 ARG 85 2HH1 ARG 85 -11.015 12.696 -2.497 627 HH21 ARG 85 1HH2 ARG 85 -13.118 12.434 0.282 628 HH22 ARG 85 2HH2 ARG 85 -12.758 13.329 -1.156 629 H LEU 86 H LEU 86 -9.815 7.515 5.764 630 HA LEU 86 HA LEU 86 -12.152 7.715 7.055 631 HB2 LEU 86 2HB LEU 86 -10.401 7.083 8.397 632 HB3 LEU 86 1HB LEU 86 -9.375 8.402 7.871 633 HG LEU 86 HG LEU 86 -10.810 9.961 9.210 634 HD11 LEU 86 1HD1 LEU 86 -12.266 9.024 10.915 635 HD12 LEU 86 2HD1 LEU 86 -11.953 7.396 10.310 636 HD13 LEU 86 3HD1 LEU 86 -12.817 8.562 9.305 637 HD21 LEU 86 3HD2 LEU 86 -9.866 9.267 11.382 638 HD22 LEU 86 1HD2 LEU 86 -8.688 9.214 10.069 639 HD23 LEU 86 2HD2 LEU 86 -9.415 7.720 10.664 640 H VAL 87 H VAL 87 -10.048 10.537 6.474 641 HA VAL 87 HA VAL 87 -11.366 12.523 7.756 642 HB VAL 87 HB VAL 87 -10.860 13.850 5.459 643 HG11 VAL 87 1HG1 VAL 87 -8.548 14.180 6.384 644 HG12 VAL 87 2HG1 VAL 87 -8.935 12.954 7.591 645 HG13 VAL 87 3HG1 VAL 87 -9.860 14.452 7.530 646 HG21 VAL 87 3HG2 VAL 87 -9.079 11.420 5.437 647 HG22 VAL 87 1HG2 VAL 87 -8.886 12.844 4.410 648 HG23 VAL 87 2HG2 VAL 87 -10.315 11.823 4.239 649 H ASP 88 H ASP 88 -12.167 11.413 4.473 650 HA ASP 88 HA ASP 88 -14.775 12.732 4.754 651 HB2 ASP 88 2HB ASP 88 -13.187 11.962 2.307 652 HB3 ASP 88 1HB ASP 88 -14.868 12.484 2.232 653 H ASN 89 H ASN 89 -13.572 9.917 5.429 654 HA ASN 89 HA ASN 89 -14.204 7.739 5.436 655 HB2 ASN 89 2HB ASN 89 -15.981 8.879 6.762 656 HB3 ASN 89 1HB ASN 89 -16.986 8.895 5.318 657 HD21 ASN 89 1HD2 ASN 89 -15.514 6.923 7.774 658 HD22 ASN 89 2HD2 ASN 89 -16.462 5.506 7.493 659 H GLU 90 H GLU 90 -13.629 8.739 2.822 660 HA GLU 90 HA GLU 90 -15.630 7.660 1.032 661 HB2 GLU 90 2HB GLU 90 -12.830 8.633 0.438 662 HB3 GLU 90 1HB GLU 90 -14.075 8.284 -0.751 663 HG2 GLU 90 2HG GLU 90 -14.309 10.389 1.373 664 HG3 GLU 90 1HG GLU 90 -13.758 10.690 -0.272 665 H GLN 91 H GLN 91 -15.001 6.042 -0.635 666 HA GLN 91 HA GLN 91 -12.911 4.186 0.170 667 HB2 GLN 91 2HB GLN 91 -14.991 3.499 1.383 668 HB3 GLN 91 1HB GLN 91 -15.763 3.250 -0.176 669 HG2 GLN 91 2HG GLN 91 -13.192 1.863 0.332 670 HG3 GLN 91 1HG GLN 91 -14.630 1.279 1.170 671 HE21 GLN 91 1HE2 GLN 91 -13.048 1.669 -1.886 672 HE22 GLN 91 2HE2 GLN 91 -14.113 0.659 -2.802 673 H LEU 92 H LEU 92 -11.842 4.572 -1.725 674 HA LEU 92 HA LEU 92 -13.173 4.380 -4.275 675 HB2 LEU 92 2HB LEU 92 -10.228 4.552 -3.615 676 HB3 LEU 92 1HB LEU 92 -10.914 4.688 -5.219 677 HG LEU 92 HG LEU 92 -10.384 6.885 -4.516 678 HD11 LEU 92 1HD1 LEU 92 -12.517 6.712 -5.658 679 HD12 LEU 92 2HD1 LEU 92 -12.552 8.006 -4.460 680 HD13 LEU 92 3HD1 LEU 92 -13.338 6.465 -4.118 681 HD21 LEU 92 3HD2 LEU 92 -10.938 7.866 -2.450 682 HD22 LEU 92 1HD2 LEU 92 -10.294 6.271 -2.066 683 HD23 LEU 92 2HD2 LEU 92 -12.035 6.551 -2.029 684 H ASN 93 H ASN 93 -12.890 2.695 -5.803 685 HA ASN 93 HA ASN 93 -11.712 0.243 -4.672 686 HB2 ASN 93 2HB ASN 93 -13.535 -0.916 -6.139 687 HB3 ASN 93 1HB ASN 93 -13.959 -0.280 -4.554 688 HD21 ASN 93 1HD2 ASN 93 -14.273 0.106 -7.982 689 HD22 ASN 93 2HD2 ASN 93 -15.535 1.285 -7.944 690 H LEU 94 H LEU 94 -9.911 -0.057 -5.746 691 HA LEU 94 HA LEU 94 -9.762 0.335 -8.630 692 HB2 LEU 94 2HB LEU 94 -7.958 0.999 -6.881 693 HB3 LEU 94 1HB LEU 94 -7.569 -0.708 -6.846 694 HG LEU 94 HG LEU 94 -7.610 0.616 -9.501 695 HD11 LEU 94 1HD1 LEU 94 -5.438 1.020 -7.446 696 HD12 LEU 94 2HD1 LEU 94 -6.439 2.272 -8.185 697 HD13 LEU 94 3HD1 LEU 94 -5.280 1.377 -9.166 698 HD21 LEU 94 3HD2 LEU 94 -5.757 -1.383 -8.212 699 HD22 LEU 94 1HD2 LEU 94 -5.805 -0.931 -9.916 700 HD23 LEU 94 2HD2 LEU 94 -7.163 -1.791 -9.195 701 H GLU 95 H GLU 95 -11.313 -1.360 -9.032 702 HA GLU 95 HA GLU 95 -10.762 -4.054 -8.205 703 HB2 GLU 95 2HB GLU 95 -12.799 -3.110 -10.213 704 HB3 GLU 95 1HB GLU 95 -12.787 -4.638 -9.344 705 HG2 GLU 95 2HG GLU 95 -13.246 -3.560 -7.280 706 HG3 GLU 95 1HG GLU 95 -13.013 -1.964 -7.994 707 H ASP 96 H ASP 96 -11.570 -5.523 -10.350 708 HA ASP 96 HA ASP 96 -9.291 -6.298 -11.605 709 HB2 ASP 96 2HB ASP 96 -10.978 -7.051 -13.489 710 HB3 ASP 96 1HB ASP 96 -11.004 -7.799 -11.894 711 H GLU 97 H GLU 97 -11.705 -4.100 -13.026 712 HA GLU 97 HA GLU 97 -10.590 -3.621 -15.475 713 HB2 GLU 97 2HB GLU 97 -11.849 -1.547 -13.670 714 HB3 GLU 97 1HB GLU 97 -11.646 -1.401 -15.411 715 HG2 GLU 97 2HG GLU 97 -13.147 -3.264 -15.774 716 HG3 GLU 97 1HG GLU 97 -13.304 -3.502 -14.034 717 H ASP 98 H ASP 98 -9.251 -2.840 -12.448 718 HA ASP 98 HA ASP 98 -7.146 -1.251 -13.748 719 HB2 ASP 98 2HB ASP 98 -8.242 -0.880 -10.947 720 HB3 ASP 98 1HB ASP 98 -6.908 0.028 -11.658 721 H ILE 99 H ILE 99 -7.919 -4.009 -11.929 722 HA ILE 99 HA ILE 99 -5.286 -4.261 -10.704 723 HB ILE 99 HB ILE 99 -7.749 -5.999 -10.572 724 HG12 ILE 99 2HG1 ILE 99 -7.699 -3.836 -9.326 725 HG13 ILE 99 1HG1 ILE 99 -7.915 -5.254 -8.311 726 HG21 ILE 99 1HG2 ILE 99 -6.513 -7.275 -8.816 727 HG22 ILE 99 2HG2 ILE 99 -5.039 -6.457 -9.339 728 HG23 ILE 99 3HG2 ILE 99 -5.905 -7.513 -10.456 729 HD11 ILE 99 3HD1 ILE 99 -6.403 -3.678 -7.282 730 HD12 ILE 99 1HD1 ILE 99 -5.359 -3.716 -8.703 731 HD13 ILE 99 2HD1 ILE 99 -5.546 -5.160 -7.705 732 H GLU 100 H GLU 100 -7.238 -5.850 -13.198 733 HA GLU 100 HA GLU 100 -5.681 -8.024 -13.811 734 HB2 GLU 100 2HB GLU 100 -7.833 -7.568 -14.889 735 HB3 GLU 100 1HB GLU 100 -7.122 -6.214 -15.759 736 HG2 GLU 100 2HG GLU 100 -5.612 -7.764 -16.914 737 HG3 GLU 100 1HG GLU 100 -6.373 -9.111 -16.068 738 H SER 101 H SER 101 -5.217 -4.673 -14.818 739 HA SER 101 HA SER 101 -2.518 -5.403 -15.745 740 HB2 SER 101 2HB SER 101 -2.703 -3.624 -17.456 741 HB3 SER 101 1HB SER 101 -3.921 -4.880 -17.683 742 HG SER 101 HG SER 101 -4.442 -2.508 -16.233 743 H ILE 102 H ILE 102 -3.061 -4.652 -13.130 744 HA ILE 102 HA ILE 102 -2.757 -1.871 -12.681 745 HB ILE 102 HB ILE 102 -3.687 -3.337 -10.964 746 HG12 ILE 102 2HG1 ILE 102 -2.235 -2.515 -9.044 747 HG13 ILE 102 1HG1 ILE 102 -1.137 -1.881 -10.263 748 HG21 ILE 102 1HG2 ILE 102 -0.904 -4.501 -10.870 749 HG22 ILE 102 2HG2 ILE 102 -2.398 -5.335 -11.297 750 HG23 ILE 102 3HG2 ILE 102 -2.142 -4.777 -9.646 751 HD11 ILE 102 3HD1 ILE 102 -4.013 -1.091 -9.930 752 HD12 ILE 102 1HD1 ILE 102 -2.890 -0.442 -11.121 753 HD13 ILE 102 2HD1 ILE 102 -2.616 -0.158 -9.402 754 H ASP 103 H ASP 103 -1.000 -0.658 -12.229 755 HA ASP 103 HA ASP 103 1.640 -1.922 -12.301 756 HB2 ASP 103 2HB ASP 103 0.918 0.580 -13.842 757 HB3 ASP 103 1HB ASP 103 2.507 -0.173 -13.763 758 H ALA 104 H ALA 104 3.237 -0.806 -11.082 759 HA ALA 104 HA ALA 104 2.450 0.338 -8.730 760 HB1 ALA 104 1HB ALA 104 5.017 0.856 -10.210 761 HB2 ALA 104 2HB ALA 104 4.695 -0.453 -9.069 762 HB3 ALA 104 3HB ALA 104 4.729 1.220 -8.508 763 H THR 105 H THR 105 3.007 1.926 -11.802 764 HA THR 105 HA THR 105 2.863 4.596 -10.922 765 HB THR 105 HB THR 105 2.072 3.425 -13.594 766 HG1 THR 105 1HG THR 105 4.286 3.124 -13.065 767 HG21 THR 105 3HG2 THR 105 1.054 5.569 -13.378 768 HG22 THR 105 1HG2 THR 105 2.477 5.757 -14.404 769 HG23 THR 105 2HG2 THR 105 2.532 6.267 -12.716 770 H LYS 106 H LYS 106 0.385 2.384 -12.164 771 HA LYS 106 HA LYS 106 -1.781 4.149 -12.087 772 HB2 LYS 106 2HB LYS 106 -1.787 1.147 -11.703 773 HB3 LYS 106 1HB LYS 106 -3.187 2.132 -12.112 774 HG2 LYS 106 2HG LYS 106 -2.223 2.718 -14.233 775 HG3 LYS 106 1HG LYS 106 -0.721 1.886 -13.823 776 HD2 LYS 106 2HD LYS 106 -1.912 0.398 -15.218 777 HD3 LYS 106 1HD LYS 106 -2.136 -0.216 -13.579 778 HE2 LYS 106 2HE LYS 106 -4.236 -0.265 -14.797 779 HE3 LYS 106 1HE LYS 106 -4.318 0.895 -13.469 780 HZ1 LYS 106 3HZ LYS 106 -3.932 2.680 -15.041 781 HZ2 LYS 106 1HZ LYS 106 -5.288 1.780 -15.503 782 HZ3 LYS 106 2HZ LYS 106 -3.819 1.577 -16.318 783 H LEU 107 H LEU 107 -0.972 1.603 -9.691 784 HA LEU 107 HA LEU 107 -2.866 2.226 -7.791 785 HB2 LEU 107 2HB LEU 107 -0.668 0.549 -7.910 786 HB3 LEU 107 1HB LEU 107 -0.256 1.638 -6.603 787 HG LEU 107 HG LEU 107 -2.499 -0.345 -6.767 788 HD11 LEU 107 1HD1 LEU 107 -1.652 -0.791 -4.427 789 HD12 LEU 107 2HD1 LEU 107 -0.307 0.287 -4.806 790 HD13 LEU 107 3HD1 LEU 107 -0.551 -1.188 -5.742 791 HD21 LEU 107 3HD2 LEU 107 -3.467 0.654 -4.722 792 HD22 LEU 107 1HD2 LEU 107 -3.625 1.696 -6.135 793 HD23 LEU 107 2HD2 LEU 107 -2.393 2.039 -4.921 794 H SER 108 H SER 108 0.471 3.468 -7.943 795 HA SER 108 HA SER 108 0.268 5.271 -5.818 796 HB2 SER 108 2HB SER 108 2.007 5.408 -8.289 797 HB3 SER 108 1HB SER 108 2.235 6.385 -6.838 798 HG SER 108 HG SER 108 2.337 4.255 -5.729 799 H ARG 109 H ARG 109 -0.734 5.519 -9.148 800 HA ARG 109 HA ARG 109 -1.085 8.330 -9.196 801 HB2 ARG 109 2HB ARG 109 -0.855 6.893 -11.225 802 HB3 ARG 109 1HB ARG 109 -2.450 6.242 -10.897 803 HG2 ARG 109 2HG ARG 109 -2.066 9.187 -11.218 804 HG3 ARG 109 1HG ARG 109 -2.182 8.136 -12.632 805 HD2 ARG 109 2HD ARG 109 -4.319 7.234 -11.605 806 HD3 ARG 109 1HD ARG 109 -4.225 8.583 -10.466 807 HE ARG 109 HE ARG 109 -4.017 9.699 -12.980 808 HH11 ARG 109 1HH1 ARG 109 -6.349 7.775 -11.250 809 HH12 ARG 109 2HH1 ARG 109 -7.711 8.429 -12.096 810 HH21 ARG 109 1HH2 ARG 109 -5.805 10.567 -14.103 811 HH22 ARG 109 2HH2 ARG 109 -7.402 10.017 -13.717 812 H PHE 110 H PHE 110 -3.536 5.754 -9.281 813 HA PHE 110 HA PHE 110 -5.787 7.179 -8.755 814 HB2 PHE 110 2HB PHE 110 -4.959 4.415 -7.917 815 HB3 PHE 110 1HB PHE 110 -6.510 5.070 -7.392 816 HD1 PHE 110 2HD PHE 110 -8.283 5.506 -8.988 817 HD2 PHE 110 1HD PHE 110 -4.569 3.843 -10.226 818 HE1 PHE 110 2HE PHE 110 -9.298 4.847 -11.128 819 HE2 PHE 110 1HE PHE 110 -5.573 3.181 -12.371 820 HZ PHE 110 HZ PHE 110 -7.943 3.683 -12.824 821 H ILE 111 H ILE 111 -3.457 5.975 -6.370 822 HA ILE 111 HA ILE 111 -4.778 6.943 -4.082 823 HB ILE 111 HB ILE 111 -1.835 6.464 -4.584 824 HG12 ILE 111 2HG1 ILE 111 -3.817 4.842 -2.987 825 HG13 ILE 111 1HG1 ILE 111 -3.436 4.523 -4.672 826 HG21 ILE 111 1HG2 ILE 111 -3.255 7.017 -1.984 827 HG22 ILE 111 2HG2 ILE 111 -2.091 8.075 -2.783 828 HG23 ILE 111 3HG2 ILE 111 -1.573 6.513 -2.144 829 HD11 ILE 111 3HD1 ILE 111 -1.108 4.123 -4.070 830 HD12 ILE 111 1HD1 ILE 111 -2.203 3.047 -3.201 831 HD13 ILE 111 2HD1 ILE 111 -1.497 4.438 -2.378 832 H GLU 112 H GLU 112 -2.075 8.329 -5.940 833 HA GLU 112 HA GLU 112 -1.869 10.756 -4.617 834 HB2 GLU 112 2HB GLU 112 -0.304 9.875 -6.376 835 HB3 GLU 112 1HB GLU 112 -1.499 10.327 -7.589 836 HG2 GLU 112 2HG GLU 112 -1.299 12.663 -6.927 837 HG3 GLU 112 1HG GLU 112 -0.123 12.221 -5.692 838 H ILE 113 H ILE 113 -4.332 9.567 -6.631 839 HA ILE 113 HA ILE 113 -5.364 12.171 -7.368 840 HB ILE 113 HB ILE 113 -5.805 9.397 -8.210 841 HG12 ILE 113 2HG1 ILE 113 -6.114 10.473 -10.390 842 HG13 ILE 113 1HG1 ILE 113 -6.144 12.054 -9.614 843 HG21 ILE 113 1HG2 ILE 113 -8.135 11.291 -8.093 844 HG22 ILE 113 2HG2 ILE 113 -8.006 9.688 -7.370 845 HG23 ILE 113 3HG2 ILE 113 -8.069 9.861 -9.122 846 HD11 ILE 113 3HD1 ILE 113 -3.802 10.164 -9.612 847 HD12 ILE 113 1HD1 ILE 113 -3.839 11.790 -8.931 848 HD13 ILE 113 2HD1 ILE 113 -3.993 11.560 -10.673 849 H ASN 114 H ASN 114 -6.151 9.536 -5.137 850 HA ASN 114 HA ASN 114 -8.252 11.273 -4.011 851 HB2 ASN 114 2HB ASN 114 -8.293 8.264 -4.260 852 HB3 ASN 114 1HB ASN 114 -9.483 9.214 -3.370 853 HD21 ASN 114 1HD2 ASN 114 -9.642 7.464 -5.792 854 HD22 ASN 114 2HD2 ASN 114 -10.425 8.437 -6.985 855 H SER 115 H SER 115 -5.414 10.990 -3.229 856 HA SER 115 HA SER 115 -5.451 9.579 -0.713 857 HB2 SER 115 2HB SER 115 -3.163 10.400 -0.451 858 HB3 SER 115 1HB SER 115 -3.389 9.742 -2.073 859 HG SER 115 HG SER 115 -2.444 12.066 -1.523 860 H LEU 116 H LEU 116 -7.478 11.513 -0.905 861 HA LEU 116 HA LEU 116 -6.649 13.823 0.632 862 HB2 LEU 116 2HB LEU 116 -9.417 12.993 -0.221 863 HB3 LEU 116 1HB LEU 116 -8.937 14.565 0.394 864 HG LEU 116 HG LEU 116 -8.121 13.345 -2.242 865 HD11 LEU 116 1HD1 LEU 116 -9.420 15.145 -3.219 866 HD12 LEU 116 2HD1 LEU 116 -9.834 15.745 -1.613 867 HD13 LEU 116 3HD1 LEU 116 -10.431 14.174 -2.147 868 HD21 LEU 116 3HD2 LEU 116 -7.365 15.993 -1.008 869 HD22 LEU 116 1HD2 LEU 116 -7.037 15.515 -2.673 870 HD23 LEU 116 2HD2 LEU 116 -6.282 14.642 -1.340 Start of MODEL 50 1 H GLU 1 H GLU 1 11.735 -5.982 -6.046 2 HA GLU 1 HA GLU 1 11.959 -6.098 -3.222 3 HB2 GLU 1 2HB GLU 1 9.245 -5.253 -4.235 4 HB3 GLU 1 1HB GLU 1 9.468 -6.051 -2.685 5 HG2 GLU 1 2HG GLU 1 9.333 -3.703 -2.313 6 HG3 GLU 1 1HG GLU 1 10.993 -4.217 -2.017 7 H VAL 2 H VAL 2 11.655 -7.451 -6.075 8 HA VAL 2 HA VAL 2 9.886 -9.623 -5.689 9 HB VAL 2 HB VAL 2 11.116 -10.703 -7.560 10 HG11 VAL 2 1HG1 VAL 2 9.278 -9.170 -8.015 11 HG12 VAL 2 2HG1 VAL 2 10.526 -9.032 -9.253 12 HG13 VAL 2 3HG1 VAL 2 10.395 -7.805 -7.993 13 HG21 VAL 2 3HG2 VAL 2 12.853 -8.237 -7.426 14 HG22 VAL 2 1HG2 VAL 2 12.898 -9.465 -8.691 15 HG23 VAL 2 2HG2 VAL 2 13.357 -9.883 -7.040 16 H GLU 3 H GLU 3 10.203 -11.672 -4.934 17 HA GLU 3 HA GLU 3 12.315 -12.051 -3.044 18 HB2 GLU 3 2HB GLU 3 10.072 -12.948 -2.649 19 HB3 GLU 3 1HB GLU 3 10.221 -13.981 -4.063 20 HG2 GLU 3 2HG GLU 3 10.583 -15.267 -2.064 21 HG3 GLU 3 1HG GLU 3 12.085 -15.161 -2.984 22 H LYS 4 H LYS 4 14.245 -12.014 -4.208 23 HA LYS 4 HA LYS 4 15.062 -14.537 -5.277 24 HB2 LYS 4 2HB LYS 4 13.878 -13.347 -7.212 25 HB3 LYS 4 1HB LYS 4 15.228 -12.219 -7.199 26 HG2 LYS 4 2HG LYS 4 16.769 -14.109 -7.584 27 HG3 LYS 4 1HG LYS 4 15.376 -15.189 -7.681 28 HD2 LYS 4 2HD LYS 4 16.055 -14.618 -9.912 29 HD3 LYS 4 1HD LYS 4 14.520 -13.816 -9.573 30 HE2 LYS 4 2HE LYS 4 15.665 -11.727 -9.151 31 HE3 LYS 4 1HE LYS 4 17.232 -12.512 -9.347 32 HZ1 LYS 4 3HZ LYS 4 16.578 -11.300 -11.337 33 HZ2 LYS 4 1HZ LYS 4 15.170 -12.231 -11.469 34 HZ3 LYS 4 2HZ LYS 4 16.686 -12.958 -11.655 35 H SER 5 H SER 5 15.791 -12.710 -3.157 36 HA SER 5 HA SER 5 17.656 -11.965 -2.098 37 HB2 SER 5 2HB SER 5 19.110 -13.292 -4.398 38 HB3 SER 5 1HB SER 5 19.866 -12.714 -2.914 39 HG SER 5 HG SER 5 17.924 -14.767 -3.162 40 H SER 6 H SER 6 18.372 -9.947 -1.955 41 HA SER 6 HA SER 6 19.129 -8.521 -4.408 42 HB2 SER 6 2HB SER 6 17.311 -7.427 -2.249 43 HB3 SER 6 1HB SER 6 17.927 -6.513 -3.626 44 HG SER 6 HG SER 6 15.926 -7.237 -4.203 45 H ASP 7 H ASP 7 21.289 -8.929 -3.689 46 HA ASP 7 HA ASP 7 23.263 -8.339 -2.741 47 HB2 ASP 7 2HB ASP 7 21.737 -5.874 -1.882 48 HB3 ASP 7 1HB ASP 7 23.488 -6.050 -1.863 49 H GLY 8 H GLY 8 21.347 -6.683 -0.274 50 HA2 GLY 8 2HA GLY 8 22.144 -8.786 1.642 51 HA3 GLY 8 1HA GLY 8 22.323 -7.079 2.020 52 HA PRO 9 HA PRO 9 18.300 -8.560 3.862 53 HB2 PRO 9 2HB PRO 9 19.048 -6.427 5.781 54 HB3 PRO 9 1HB PRO 9 18.489 -8.074 6.089 55 HG2 PRO 9 2HG PRO 9 21.043 -7.399 6.467 56 HG3 PRO 9 1HG PRO 9 20.601 -8.984 5.808 57 HD2 PRO 9 2HD PRO 9 21.645 -6.566 4.390 58 HD3 PRO 9 1HD PRO 9 22.029 -8.281 4.129 59 H GLY 10 H GLY 10 16.310 -7.548 3.806 60 HA2 GLY 10 2HA GLY 10 16.084 -4.693 3.440 61 HA3 GLY 10 1HA GLY 10 15.741 -5.621 1.988 62 H ALA 11 H ALA 11 13.977 -3.915 3.632 63 HA ALA 11 HA ALA 11 11.682 -5.579 3.604 64 HB1 ALA 11 1HB ALA 11 11.143 -5.585 5.982 65 HB2 ALA 11 2HB ALA 11 12.677 -4.792 6.342 66 HB3 ALA 11 3HB ALA 11 12.664 -6.428 5.684 67 H ALA 12 H ALA 12 12.986 -2.757 5.331 68 HA ALA 12 HA ALA 12 12.310 -0.599 5.478 69 HB1 ALA 12 1HB ALA 12 12.485 -0.841 2.978 70 HB2 ALA 12 2HB ALA 12 11.430 0.453 3.553 71 HB3 ALA 12 3HB ALA 12 10.734 -1.055 2.959 72 H GLN 13 H GLN 13 9.345 -1.633 3.852 73 HA GLN 13 HA GLN 13 7.852 -1.885 6.284 74 HB2 GLN 13 2HB GLN 13 6.359 0.048 5.887 75 HB3 GLN 13 1HB GLN 13 8.010 0.530 6.249 76 HG2 GLN 13 2HG GLN 13 8.412 0.870 3.845 77 HG3 GLN 13 1HG GLN 13 6.727 0.456 3.526 78 HE21 GLN 13 1HE2 GLN 13 8.214 2.934 3.022 79 HE22 GLN 13 2HE2 GLN 13 7.338 4.182 3.834 80 H GLU 14 H GLU 14 6.045 -3.052 5.975 81 HA GLU 14 HA GLU 14 5.153 -3.483 3.198 82 HB2 GLU 14 2HB GLU 14 4.698 -5.778 3.704 83 HB3 GLU 14 1HB GLU 14 6.336 -5.438 4.242 84 HG2 GLU 14 2HG GLU 14 5.503 -5.190 6.543 85 HG3 GLU 14 1HG GLU 14 3.885 -5.604 5.975 86 HA PRO 15 HA PRO 15 1.087 -2.281 4.379 87 HB2 PRO 15 2HB PRO 15 -0.489 -4.060 3.035 88 HB3 PRO 15 1HB PRO 15 0.343 -2.705 2.264 89 HG2 PRO 15 2HG PRO 15 1.117 -5.588 2.382 90 HG3 PRO 15 1HG PRO 15 1.222 -4.451 1.028 91 HD2 PRO 15 2HD PRO 15 3.367 -5.129 2.533 92 HD3 PRO 15 1HD PRO 15 3.186 -3.528 1.787 93 H THR 16 H THR 16 -0.416 -2.621 5.926 94 HA THR 16 HA THR 16 -0.001 -4.570 7.887 95 HB THR 16 HB THR 16 -2.558 -3.029 7.406 96 HG1 THR 16 1HG THR 16 -0.259 -1.979 7.768 97 HG21 THR 16 3HG2 THR 16 -1.386 -4.302 9.880 98 HG22 THR 16 1HG2 THR 16 -2.844 -4.804 9.024 99 HG23 THR 16 2HG2 THR 16 -2.804 -3.253 9.863 100 H TRP 17 H TRP 17 -1.330 -6.313 8.580 101 HA TRP 17 HA TRP 17 -2.601 -7.725 6.345 102 HB2 TRP 17 2HB TRP 17 -1.512 -8.734 8.979 103 HB3 TRP 17 1HB TRP 17 -2.326 -9.748 7.791 104 HD1 TRP 17 HD TRP 17 0.909 -7.701 8.239 105 HE1 TRP 17 1HE TRP 17 2.674 -8.620 6.605 106 HE3 TRP 17 3HE TRP 17 -2.008 -11.032 5.682 107 HZ2 TRP 17 2HZ TRP 17 2.810 -10.509 4.512 108 HZ3 TRP 17 3HZ TRP 17 -0.984 -12.355 3.878 109 HH2 TRP 17 HH TRP 17 1.377 -12.099 3.305 110 H LEU 18 H LEU 18 -4.665 -6.988 6.325 111 HA LEU 18 HA LEU 18 -6.230 -6.980 8.798 112 HB2 LEU 18 2HB LEU 18 -7.051 -6.127 6.022 113 HB3 LEU 18 1HB LEU 18 -7.895 -5.784 7.521 114 HG LEU 18 HG LEU 18 -5.141 -4.757 6.848 115 HD11 LEU 18 1HD1 LEU 18 -6.718 -3.763 5.339 116 HD12 LEU 18 2HD1 LEU 18 -6.262 -2.579 6.562 117 HD13 LEU 18 3HD1 LEU 18 -7.818 -3.399 6.669 118 HD21 LEU 18 3HD2 LEU 18 -5.480 -4.936 9.224 119 HD22 LEU 18 1HD2 LEU 18 -7.044 -4.130 9.098 120 HD23 LEU 18 2HD2 LEU 18 -5.563 -3.238 8.751 121 H THR 19 H THR 19 -6.119 -9.341 8.937 122 HA THR 19 HA THR 19 -7.343 -10.979 6.941 123 HB THR 19 HB THR 19 -7.115 -12.805 8.524 124 HG1 THR 19 1HG THR 19 -6.506 -10.726 10.375 125 HG21 THR 19 3HG2 THR 19 -4.707 -12.724 8.891 126 HG22 THR 19 1HG2 THR 19 -4.712 -10.981 8.630 127 HG23 THR 19 2HG2 THR 19 -5.110 -12.071 7.303 128 H ASP 20 H ASP 20 -8.699 -8.865 9.113 129 HA ASP 20 HA ASP 20 -11.259 -10.278 8.945 130 HB2 ASP 20 2HB ASP 20 -10.122 -9.077 11.476 131 HB3 ASP 20 1HB ASP 20 -11.781 -9.639 11.293 132 H VAL 21 H VAL 21 -13.084 -8.983 8.889 133 HA VAL 21 HA VAL 21 -12.865 -6.523 7.619 134 HB VAL 21 HB VAL 21 -15.238 -7.429 9.252 135 HG11 VAL 21 1HG1 VAL 21 -14.984 -5.544 6.914 136 HG12 VAL 21 2HG1 VAL 21 -15.410 -5.125 8.573 137 HG13 VAL 21 3HG1 VAL 21 -16.511 -6.100 7.598 138 HG21 VAL 21 3HG2 VAL 21 -14.544 -8.062 6.386 139 HG22 VAL 21 1HG2 VAL 21 -16.061 -8.466 7.190 140 HG23 VAL 21 2HG2 VAL 21 -14.553 -9.202 7.732 141 HA PRO 22 HA PRO 22 -13.911 -4.450 11.941 142 HB2 PRO 22 2HB PRO 22 -12.794 -5.849 14.049 143 HB3 PRO 22 1HB PRO 22 -14.505 -5.878 13.615 144 HG2 PRO 22 2HG PRO 22 -12.345 -7.834 12.949 145 HG3 PRO 22 1HG PRO 22 -14.028 -8.139 13.424 146 HD2 PRO 22 2HD PRO 22 -13.255 -8.326 10.872 147 HD3 PRO 22 1HD PRO 22 -14.843 -7.660 11.302 148 H ALA 23 H ALA 23 -11.002 -6.502 11.781 149 HA ALA 23 HA ALA 23 -9.251 -4.600 12.905 150 HB1 ALA 23 1HB ALA 23 -8.521 -6.798 10.974 151 HB2 ALA 23 2HB ALA 23 -8.762 -7.036 12.706 152 HB3 ALA 23 3HB ALA 23 -7.457 -5.999 12.132 153 H ALA 24 H ALA 24 -10.360 -5.230 9.675 154 HA ALA 24 HA ALA 24 -8.519 -3.612 8.276 155 HB1 ALA 24 1HB ALA 24 -11.343 -4.426 7.567 156 HB2 ALA 24 2HB ALA 24 -9.854 -5.245 7.095 157 HB3 ALA 24 3HB ALA 24 -10.218 -3.638 6.461 158 H MET 25 H MET 25 -11.904 -2.974 9.177 159 HA MET 25 HA MET 25 -11.919 -0.260 8.492 160 HB2 MET 25 2HB MET 25 -13.618 -1.577 10.610 161 HB3 MET 25 1HB MET 25 -13.997 -0.123 9.698 162 HG2 MET 25 2HG MET 25 -13.987 -1.524 7.628 163 HG3 MET 25 1HG MET 25 -13.835 -2.939 8.664 164 HE1 MET 25 3HE MET 25 -16.094 0.089 7.621 165 HE2 MET 25 1HE MET 25 -15.894 0.349 9.353 166 HE3 MET 25 2HE MET 25 -17.472 -0.098 8.708 167 H GLU 26 H GLU 26 -10.742 -1.911 11.319 168 HA GLU 26 HA GLU 26 -10.751 0.351 13.053 169 HB2 GLU 26 2HB GLU 26 -9.496 -2.359 13.117 170 HB3 GLU 26 1HB GLU 26 -8.898 -1.126 14.219 171 HG2 GLU 26 2HG GLU 26 -11.315 -0.802 14.922 172 HG3 GLU 26 1HG GLU 26 -11.648 -2.302 14.057 173 H PHE 27 H PHE 27 -8.187 -1.260 11.180 174 HA PHE 27 HA PHE 27 -6.157 0.552 11.815 175 HB2 PHE 27 2HB PHE 27 -6.577 -1.489 9.709 176 HB3 PHE 27 1HB PHE 27 -5.378 -0.245 9.359 177 HD1 PHE 27 2HD PHE 27 -3.361 -0.050 10.693 178 HD2 PHE 27 1HD PHE 27 -6.217 -3.109 11.462 179 HE1 PHE 27 2HE PHE 27 -1.705 -1.244 12.066 180 HE2 PHE 27 1HE PHE 27 -4.568 -4.307 12.840 181 HZ PHE 27 HZ PHE 27 -2.309 -3.375 13.144 182 H ILE 28 H ILE 28 -8.669 0.618 9.362 183 HA ILE 28 HA ILE 28 -7.686 2.925 7.989 184 HB ILE 28 HB ILE 28 -10.383 1.586 8.085 185 HG12 ILE 28 2HG1 ILE 28 -8.586 2.014 5.705 186 HG13 ILE 28 1HG1 ILE 28 -8.356 0.653 6.804 187 HG21 ILE 28 1HG2 ILE 28 -9.642 4.079 6.561 188 HG22 ILE 28 2HG2 ILE 28 -10.858 3.935 7.828 189 HG23 ILE 28 3HG2 ILE 28 -11.096 3.126 6.284 190 HD11 ILE 28 3HD1 ILE 28 -10.998 1.181 5.501 191 HD12 ILE 28 1HD1 ILE 28 -10.392 -0.315 6.212 192 HD13 ILE 28 2HD1 ILE 28 -9.725 0.273 4.687 193 H ALA 29 H ALA 29 -9.951 2.361 10.629 194 HA ALA 29 HA ALA 29 -10.817 5.066 10.866 195 HB1 ALA 29 1HB ALA 29 -12.213 3.260 11.671 196 HB2 ALA 29 2HB ALA 29 -11.786 4.320 13.015 197 HB3 ALA 29 3HB ALA 29 -10.969 2.767 12.822 198 H ALA 30 H ALA 30 -8.010 3.383 11.834 199 HA ALA 30 HA ALA 30 -7.372 5.323 13.933 200 HB1 ALA 30 1HB ALA 30 -5.871 2.857 13.068 201 HB2 ALA 30 2HB ALA 30 -7.001 2.954 14.419 202 HB3 ALA 30 3HB ALA 30 -5.494 3.869 14.461 203 H THR 31 H THR 31 -7.431 5.935 11.006 204 HA THR 31 HA THR 31 -5.085 7.539 10.916 205 HB THR 31 HB THR 31 -4.023 5.414 10.320 206 HG1 THR 31 1HG THR 31 -3.275 6.152 8.168 207 HG21 THR 31 3HG2 THR 31 -4.694 4.059 8.562 208 HG22 THR 31 1HG2 THR 31 -5.643 5.337 7.804 209 HG23 THR 31 2HG2 THR 31 -6.229 4.555 9.272 210 H GLU 32 H GLU 32 -5.061 8.983 9.127 211 HA GLU 32 HA GLU 32 -7.597 9.790 8.218 212 HB2 GLU 32 2HB GLU 32 -5.314 11.075 8.409 213 HB3 GLU 32 1HB GLU 32 -5.105 10.549 6.742 214 HG2 GLU 32 2HG GLU 32 -7.188 11.639 6.126 215 HG3 GLU 32 1HG GLU 32 -7.423 12.144 7.799 216 H VAL 33 H VAL 33 -5.007 9.111 5.904 217 HA VAL 33 HA VAL 33 -6.979 7.874 4.141 218 HB VAL 33 HB VAL 33 -4.121 8.608 3.512 219 HG11 VAL 33 1HG1 VAL 33 -5.023 7.012 1.947 220 HG12 VAL 33 2HG1 VAL 33 -4.939 8.595 1.174 221 HG13 VAL 33 3HG1 VAL 33 -6.491 7.976 1.752 222 HG21 VAL 33 3HG2 VAL 33 -6.660 10.192 3.177 223 HG22 VAL 33 1HG2 VAL 33 -5.117 10.614 2.432 224 HG23 VAL 33 2HG2 VAL 33 -5.271 10.600 4.189 225 H ALA 34 H ALA 34 -6.891 5.771 3.474 226 HA ALA 34 HA ALA 34 -4.639 4.119 4.356 227 HB1 ALA 34 1HB ALA 34 -6.176 3.825 6.137 228 HB2 ALA 34 2HB ALA 34 -6.286 2.379 5.129 229 HB3 ALA 34 3HB ALA 34 -7.529 3.626 5.022 230 H VAL 35 H VAL 35 -3.956 2.816 2.802 231 HA VAL 35 HA VAL 35 -5.829 2.133 0.638 232 HB VAL 35 HB VAL 35 -2.850 2.565 0.551 233 HG11 VAL 35 1HG1 VAL 35 -3.291 0.543 -0.715 234 HG12 VAL 35 2HG1 VAL 35 -2.973 1.874 -1.827 235 HG13 VAL 35 3HG1 VAL 35 -4.628 1.326 -1.556 236 HG21 VAL 35 3HG2 VAL 35 -5.207 3.775 -0.877 237 HG22 VAL 35 1HG2 VAL 35 -3.519 4.164 -1.219 238 HG23 VAL 35 2HG2 VAL 35 -4.211 4.543 0.363 239 H ILE 36 H ILE 36 -6.276 0.078 0.311 240 HA ILE 36 HA ILE 36 -4.576 -1.943 1.594 241 HB ILE 36 HB ILE 36 -7.583 -1.799 1.773 242 HG12 ILE 36 2HG1 ILE 36 -5.665 -1.764 4.078 243 HG13 ILE 36 1HG1 ILE 36 -6.008 -0.280 3.199 244 HG21 ILE 36 1HG2 ILE 36 -6.989 -4.095 1.633 245 HG22 ILE 36 2HG2 ILE 36 -7.272 -3.746 3.340 246 HG23 ILE 36 3HG2 ILE 36 -5.621 -3.879 2.727 247 HD11 ILE 36 3HD1 ILE 36 -8.417 -0.649 3.679 248 HD12 ILE 36 1HD1 ILE 36 -7.411 -0.362 5.100 249 HD13 ILE 36 2HD1 ILE 36 -7.941 -2.001 4.710 250 H GLY 37 H GLY 37 -4.202 -3.734 0.466 251 HA2 GLY 37 2HA GLY 37 -5.451 -3.960 -2.174 252 HA3 GLY 37 1HA GLY 37 -3.958 -4.731 -1.677 253 H PHE 38 H PHE 38 -7.368 -5.042 -1.940 254 HA PHE 38 HA PHE 38 -7.540 -7.418 -0.276 255 HB2 PHE 38 2HB PHE 38 -9.610 -6.237 -2.145 256 HB3 PHE 38 1HB PHE 38 -9.888 -7.450 -0.899 257 HD1 PHE 38 2HD PHE 38 -8.520 -3.995 -1.243 258 HD2 PHE 38 1HD PHE 38 -10.733 -6.757 1.117 259 HE1 PHE 38 2HE PHE 38 -8.996 -2.220 0.385 260 HE2 PHE 38 1HE PHE 38 -11.213 -4.978 2.748 261 HZ PHE 38 HZ PHE 38 -10.344 -2.707 2.384 262 H PHE 39 H PHE 39 -6.215 -8.935 -1.206 263 HA PHE 39 HA PHE 39 -6.843 -9.718 -3.976 264 HB2 PHE 39 2HB PHE 39 -4.292 -10.293 -2.476 265 HB3 PHE 39 1HB PHE 39 -4.594 -10.508 -4.199 266 HD1 PHE 39 1HD PHE 39 -5.868 -7.985 -4.935 267 HD2 PHE 39 2HD PHE 39 -2.599 -8.730 -2.319 268 HE1 PHE 39 1HE PHE 39 -5.008 -5.726 -5.374 269 HE2 PHE 39 2HE PHE 39 -1.731 -6.470 -2.752 270 HZ PHE 39 HZ PHE 39 -2.936 -4.964 -4.281 271 H GLN 40 H GLN 40 -7.288 -11.798 -4.469 272 HA GLN 40 HA GLN 40 -7.846 -13.615 -2.265 273 HB2 GLN 40 2HB GLN 40 -8.317 -13.955 -5.239 274 HB3 GLN 40 1HB GLN 40 -8.917 -15.017 -3.973 275 HG2 GLN 40 2HG GLN 40 -10.259 -13.173 -3.078 276 HG3 GLN 40 1HG GLN 40 -9.681 -12.135 -4.379 277 HE21 GLN 40 1HE2 GLN 40 -11.740 -11.798 -5.192 278 HE22 GLN 40 2HE2 GLN 40 -12.616 -13.026 -6.034 279 H ASP 41 H ASP 41 -5.341 -12.816 -4.244 280 HA ASP 41 HA ASP 41 -3.839 -15.209 -3.576 281 HB2 ASP 41 2HB ASP 41 -4.908 -15.577 -5.855 282 HB3 ASP 41 1HB ASP 41 -3.932 -14.228 -6.439 283 H LEU 42 H LEU 42 -1.956 -14.503 -2.753 284 HA LEU 42 HA LEU 42 -1.123 -11.776 -3.324 285 HB2 LEU 42 2HB LEU 42 -0.065 -13.788 -1.342 286 HB3 LEU 42 1HB LEU 42 0.513 -12.139 -1.500 287 HG LEU 42 HG LEU 42 -2.281 -12.950 -0.705 288 HD11 LEU 42 1HD1 LEU 42 -0.024 -11.771 0.908 289 HD12 LEU 42 2HD1 LEU 42 -0.642 -13.419 1.032 290 HD13 LEU 42 3HD1 LEU 42 -1.665 -12.056 1.486 291 HD21 LEU 42 3HD2 LEU 42 -2.326 -10.866 -1.919 292 HD22 LEU 42 1HD2 LEU 42 -0.986 -10.237 -0.960 293 HD23 LEU 42 2HD2 LEU 42 -2.547 -10.541 -0.200 294 H GLU 43 H GLU 43 -0.841 -13.332 -5.530 295 HA GLU 43 HA GLU 43 2.079 -13.382 -5.829 296 HB2 GLU 43 2HB GLU 43 0.185 -15.488 -6.887 297 HB3 GLU 43 1HB GLU 43 1.896 -15.382 -7.274 298 HG2 GLU 43 2HG GLU 43 2.396 -15.668 -4.866 299 HG3 GLU 43 1HG GLU 43 0.676 -15.925 -4.585 300 H ILE 44 H ILE 44 -0.482 -11.776 -6.586 301 HA ILE 44 HA ILE 44 -0.199 -11.676 -9.489 302 HB ILE 44 HB ILE 44 -2.004 -9.870 -9.227 303 HG12 ILE 44 2HG1 ILE 44 -2.478 -11.178 -6.572 304 HG13 ILE 44 1HG1 ILE 44 -1.458 -9.754 -6.703 305 HG21 ILE 44 1HG2 ILE 44 -3.758 -11.518 -9.162 306 HG22 ILE 44 2HG2 ILE 44 -2.691 -12.677 -8.366 307 HG23 ILE 44 3HG2 ILE 44 -2.373 -12.179 -10.032 308 HD11 ILE 44 3HD1 ILE 44 -3.548 -8.936 -6.137 309 HD12 ILE 44 1HD1 ILE 44 -4.378 -10.023 -7.251 310 HD13 ILE 44 2HD1 ILE 44 -3.435 -8.670 -7.876 311 HA PRO 45 HA PRO 45 2.395 -8.121 -9.855 312 HB2 PRO 45 2HB PRO 45 0.175 -6.837 -11.385 313 HB3 PRO 45 1HB PRO 45 1.870 -7.039 -11.832 314 HG2 PRO 45 2HG PRO 45 0.019 -8.582 -12.931 315 HG3 PRO 45 1HG PRO 45 1.576 -9.275 -12.432 316 HD2 PRO 45 2HD PRO 45 -1.094 -9.450 -11.093 317 HD3 PRO 45 1HD PRO 45 0.170 -10.686 -11.250 318 H ALA 46 H ALA 46 -0.914 -7.683 -8.843 319 HA ALA 46 HA ALA 46 -0.779 -4.976 -8.073 320 HB1 ALA 46 1HB ALA 46 -2.854 -5.333 -6.992 321 HB2 ALA 46 2HB ALA 46 -2.551 -7.063 -6.838 322 HB3 ALA 46 3HB ALA 46 -2.850 -6.358 -8.428 323 H VAL 47 H VAL 47 -0.057 -7.960 -6.302 324 HA VAL 47 HA VAL 47 0.082 -6.816 -3.752 325 HB VAL 47 HB VAL 47 1.894 -9.086 -4.480 326 HG11 VAL 47 1HG1 VAL 47 1.276 -9.874 -2.260 327 HG12 VAL 47 2HG1 VAL 47 0.161 -8.520 -2.074 328 HG13 VAL 47 3HG1 VAL 47 1.897 -8.225 -2.185 329 HG21 VAL 47 3HG2 VAL 47 -0.013 -10.623 -4.247 330 HG22 VAL 47 1HG2 VAL 47 -0.172 -9.567 -5.651 331 HG23 VAL 47 2HG2 VAL 47 -1.103 -9.238 -4.190 332 HA PRO 48 HA PRO 48 4.902 -6.298 -4.422 333 HB2 PRO 48 2HB PRO 48 4.996 -6.072 -7.379 334 HB3 PRO 48 1HB PRO 48 6.125 -6.870 -6.276 335 HG2 PRO 48 2HG PRO 48 4.482 -8.295 -7.816 336 HG3 PRO 48 1HG PRO 48 4.845 -8.799 -6.153 337 HD2 PRO 48 2HD PRO 48 2.410 -7.437 -7.234 338 HD3 PRO 48 1HD PRO 48 2.534 -8.734 -6.034 339 H ILE 49 H ILE 49 2.766 -4.980 -6.906 340 HA ILE 49 HA ILE 49 3.888 -2.421 -7.060 341 HB ILE 49 HB ILE 49 1.278 -3.623 -7.823 342 HG12 ILE 49 2HG1 ILE 49 3.012 -1.916 -9.548 343 HG13 ILE 49 1HG1 ILE 49 3.573 -3.523 -9.107 344 HG21 ILE 49 1HG2 ILE 49 0.354 -1.631 -7.107 345 HG22 ILE 49 2HG2 ILE 49 0.705 -1.314 -8.805 346 HG23 ILE 49 3HG2 ILE 49 1.778 -0.695 -7.551 347 HD11 ILE 49 3HD1 ILE 49 1.804 -4.563 -10.220 348 HD12 ILE 49 1HD1 ILE 49 2.332 -3.275 -11.302 349 HD13 ILE 49 2HD1 ILE 49 0.876 -3.067 -10.326 350 H LEU 50 H LEU 50 1.481 -3.785 -4.878 351 HA LEU 50 HA LEU 50 0.790 -1.266 -3.700 352 HB2 LEU 50 2HB LEU 50 -0.814 -3.049 -3.571 353 HB3 LEU 50 1HB LEU 50 0.347 -4.106 -2.797 354 HG LEU 50 HG LEU 50 0.357 -2.516 -0.842 355 HD11 LEU 50 1HD1 LEU 50 -0.525 -0.565 -2.053 356 HD12 LEU 50 2HD1 LEU 50 -1.464 -0.948 -0.610 357 HD13 LEU 50 3HD1 LEU 50 -2.079 -1.384 -2.204 358 HD21 LEU 50 3HD2 LEU 50 -1.535 -3.475 0.162 359 HD22 LEU 50 1HD2 LEU 50 -0.996 -4.661 -1.028 360 HD23 LEU 50 2HD2 LEU 50 -2.387 -3.627 -1.379 361 H HIS 51 H HIS 51 2.733 -4.046 -2.595 362 HA HIS 51 HA HIS 51 3.688 -2.958 -0.234 363 HB2 HIS 51 2HB HIS 51 4.991 -4.864 -2.181 364 HB3 HIS 51 1HB HIS 51 5.724 -4.431 -0.639 365 HD1 HIS 51 1HD HIS 51 5.435 -6.375 0.851 366 HD2 HIS 51 2HD HIS 51 2.006 -5.617 -1.368 367 HE1 HIS 51 1HE HIS 51 3.730 -8.036 1.659 368 HE2 HIS 51 2HE HIS 51 1.687 -7.609 0.248 369 H SER 52 H SER 52 4.458 -2.204 -3.510 370 HA SER 52 HA SER 52 6.905 -0.797 -2.882 371 HB2 SER 52 2HB SER 52 5.278 -0.991 -5.427 372 HB3 SER 52 1HB SER 52 6.793 -0.098 -5.293 373 HG SER 52 HG SER 52 6.876 -2.699 -4.373 374 H MET 53 H MET 53 3.582 0.062 -3.833 375 HA MET 53 HA MET 53 3.940 2.837 -3.856 376 HB2 MET 53 2HB MET 53 1.639 3.030 -4.008 377 HB3 MET 53 1HB MET 53 1.896 1.397 -4.600 378 HG2 MET 53 2HG MET 53 0.087 1.171 -3.188 379 HG3 MET 53 1HG MET 53 1.441 0.668 -2.184 380 HE1 MET 53 3HE MET 53 -0.540 2.328 0.633 381 HE2 MET 53 1HE MET 53 0.477 0.975 0.140 382 HE3 MET 53 2HE MET 53 -1.097 1.217 -0.617 383 H VAL 54 H VAL 54 3.653 0.557 -1.299 384 HA VAL 54 HA VAL 54 2.810 2.074 0.846 385 HB VAL 54 HB VAL 54 4.880 -0.111 0.753 386 HG11 VAL 54 1HG1 VAL 54 5.275 1.206 2.737 387 HG12 VAL 54 2HG1 VAL 54 4.534 -0.336 3.178 388 HG13 VAL 54 3HG1 VAL 54 3.562 1.136 3.152 389 HG21 VAL 54 3HG2 VAL 54 1.933 -0.047 1.311 390 HG22 VAL 54 1HG2 VAL 54 2.956 -1.386 1.833 391 HG23 VAL 54 2HG2 VAL 54 2.809 -1.005 0.118 392 H GLN 55 H GLN 55 6.130 1.658 -0.356 393 HA GLN 55 HA GLN 55 7.217 3.530 1.509 394 HB2 GLN 55 2HB GLN 55 8.544 2.611 -1.021 395 HB3 GLN 55 1HB GLN 55 9.286 3.121 0.490 396 HG2 GLN 55 2HG GLN 55 8.477 1.112 1.588 397 HG3 GLN 55 1HG GLN 55 7.682 0.607 0.099 398 HE21 GLN 55 1HE2 GLN 55 9.892 1.589 -1.560 399 HE22 GLN 55 2HE2 GLN 55 11.164 0.434 -1.381 400 H LYS 56 H LYS 56 5.490 3.836 -1.352 401 HA LYS 56 HA LYS 56 6.736 6.350 -2.155 402 HB2 LYS 56 2HB LYS 56 4.384 4.882 -3.362 403 HB3 LYS 56 1HB LYS 56 5.210 6.266 -4.061 404 HG2 LYS 56 2HG LYS 56 7.248 4.941 -4.287 405 HG3 LYS 56 1HG LYS 56 6.421 3.551 -3.582 406 HD2 LYS 56 2HD LYS 56 6.308 3.188 -5.893 407 HD3 LYS 56 1HD LYS 56 4.721 3.843 -5.476 408 HE2 LYS 56 2HE LYS 56 5.454 4.948 -7.457 409 HE3 LYS 56 1HE LYS 56 5.578 6.099 -6.126 410 HZ1 LYS 56 3HZ LYS 56 7.942 5.654 -5.994 411 HZ2 LYS 56 1HZ LYS 56 7.529 6.166 -7.555 412 HZ3 LYS 56 2HZ LYS 56 7.832 4.529 -7.253 413 H PHE 57 H PHE 57 4.174 5.157 -0.271 414 HA PHE 57 HA PHE 57 3.143 7.877 0.086 415 HB2 PHE 57 2HB PHE 57 1.563 5.385 -0.473 416 HB3 PHE 57 1HB PHE 57 0.842 6.769 0.342 417 HD1 PHE 57 2HD PHE 57 2.220 5.509 -2.801 418 HD2 PHE 57 1HD PHE 57 0.399 8.819 -0.842 419 HE1 PHE 57 2HE PHE 57 1.780 6.553 -4.982 420 HE2 PHE 57 1HE PHE 57 -0.044 9.872 -3.023 421 HZ PHE 57 HZ PHE 57 0.647 8.737 -5.097 422 HA PRO 58 HA PRO 58 4.395 5.626 4.089 423 HB2 PRO 58 2HB PRO 58 5.393 8.043 5.083 424 HB3 PRO 58 1HB PRO 58 6.360 6.733 4.397 425 HG2 PRO 58 2HG PRO 58 5.358 9.234 3.099 426 HG3 PRO 58 1HG PRO 58 6.927 8.422 2.911 427 HD2 PRO 58 2HD PRO 58 5.067 8.184 1.030 428 HD3 PRO 58 1HD PRO 58 6.035 6.774 1.509 429 H GLY 59 H GLY 59 3.119 8.899 3.504 430 HA2 GLY 59 2HA GLY 59 1.779 9.243 5.929 431 HA3 GLY 59 1HA GLY 59 1.327 10.010 4.411 432 H VAL 60 H VAL 60 0.775 7.654 2.958 433 HA VAL 60 HA VAL 60 -1.913 7.167 3.751 434 HB VAL 60 HB VAL 60 -0.129 6.042 1.603 435 HG11 VAL 60 1HG1 VAL 60 -1.503 4.168 2.335 436 HG12 VAL 60 2HG1 VAL 60 -2.037 4.743 0.756 437 HG13 VAL 60 3HG1 VAL 60 -2.955 5.160 2.203 438 HG21 VAL 60 3HG2 VAL 60 -1.005 8.217 1.154 439 HG22 VAL 60 1HG2 VAL 60 -2.632 7.721 1.622 440 HG23 VAL 60 2HG2 VAL 60 -1.895 7.066 0.159 441 H SER 61 H SER 61 -2.838 5.303 4.621 442 HA SER 61 HA SER 61 -1.044 3.726 6.254 443 HB2 SER 61 2HB SER 61 -3.136 4.551 7.225 444 HB3 SER 61 1HB SER 61 -4.059 3.647 6.027 445 HG SER 61 HG SER 61 -3.153 1.731 6.907 446 H PHE 62 H PHE 62 0.048 2.279 5.069 447 HA PHE 62 HA PHE 62 -0.945 0.830 2.881 448 HB2 PHE 62 2HB PHE 62 1.028 -0.742 3.486 449 HB3 PHE 62 1HB PHE 62 1.380 0.917 3.008 450 HD1 PHE 62 1HD PHE 62 1.155 -1.379 5.888 451 HD2 PHE 62 2HD PHE 62 2.380 2.455 4.511 452 HE1 PHE 62 1HE PHE 62 2.383 -1.021 7.988 453 HE2 PHE 62 2HE PHE 62 3.613 2.818 6.609 454 HZ PHE 62 HZ PHE 62 3.615 1.080 8.351 455 H GLY 63 H GLY 63 -2.123 -0.965 2.715 456 HA2 GLY 63 2HA GLY 63 -2.324 -2.806 4.968 457 HA3 GLY 63 1HA GLY 63 -3.812 -2.020 4.459 458 H ILE 64 H ILE 64 -3.488 -4.786 4.426 459 HA ILE 64 HA ILE 64 -4.154 -5.336 1.702 460 HB ILE 64 HB ILE 64 -1.528 -5.413 1.987 461 HG12 ILE 64 2HG1 ILE 64 -3.094 -7.531 0.514 462 HG13 ILE 64 1HG1 ILE 64 -2.748 -5.912 -0.074 463 HG21 ILE 64 1HG2 ILE 64 -0.707 -7.674 2.447 464 HG22 ILE 64 2HG2 ILE 64 -2.336 -8.166 2.898 465 HG23 ILE 64 3HG2 ILE 64 -1.486 -6.957 3.856 466 HD11 ILE 64 3HD1 ILE 64 -0.736 -8.084 0.470 467 HD12 ILE 64 1HD1 ILE 64 -0.348 -6.442 -0.048 468 HD13 ILE 64 2HD1 ILE 64 -1.270 -7.510 -1.109 469 H SER 65 H SER 65 -5.339 -7.220 1.506 470 HA SER 65 HA SER 65 -5.520 -8.985 3.826 471 HB2 SER 65 2HB SER 65 -7.217 -7.328 4.312 472 HB3 SER 65 1HB SER 65 -7.882 -7.480 2.685 473 HG SER 65 HG SER 65 -9.043 -8.682 4.295 474 H THR 66 H THR 66 -6.602 -10.978 3.423 475 HA THR 66 HA THR 66 -7.110 -11.625 0.612 476 HB THR 66 HB THR 66 -5.861 -13.754 0.839 477 HG1 THR 66 1HG THR 66 -4.195 -13.371 2.741 478 HG21 THR 66 3HG2 THR 66 -4.841 -11.733 -0.189 479 HG22 THR 66 1HG2 THR 66 -3.663 -12.827 0.537 480 HG23 THR 66 2HG2 THR 66 -4.127 -11.347 1.377 481 H ASP 67 H ASP 67 -8.267 -11.528 3.624 482 HA ASP 67 HA ASP 67 -9.451 -14.120 3.890 483 HB2 ASP 67 2HB ASP 67 -8.973 -12.644 5.830 484 HB3 ASP 67 1HB ASP 67 -10.212 -11.529 5.257 485 H SER 68 H SER 68 -11.535 -14.760 3.469 486 HA SER 68 HA SER 68 -12.803 -13.616 1.228 487 HB2 SER 68 2HB SER 68 -12.990 -15.997 1.746 488 HB3 SER 68 1HB SER 68 -13.864 -15.623 3.231 489 HG SER 68 HG SER 68 -15.605 -15.038 2.080 490 H GLU 69 H GLU 69 -13.764 -13.669 4.662 491 HA GLU 69 HA GLU 69 -16.161 -12.336 4.500 492 HB2 GLU 69 2HB GLU 69 -14.107 -11.954 6.676 493 HB3 GLU 69 1HB GLU 69 -15.836 -11.662 6.802 494 HG2 GLU 69 2HG GLU 69 -16.255 -14.050 6.426 495 HG3 GLU 69 1HG GLU 69 -14.514 -14.328 6.354 496 H VAL 70 H VAL 70 -12.922 -10.903 4.660 497 HA VAL 70 HA VAL 70 -13.890 -8.230 4.694 498 HB VAL 70 HB VAL 70 -11.160 -9.329 4.026 499 HG11 VAL 70 1HG1 VAL 70 -10.388 -6.974 4.375 500 HG12 VAL 70 2HG1 VAL 70 -12.080 -6.477 4.312 501 HG13 VAL 70 3HG1 VAL 70 -11.329 -7.231 2.905 502 HG21 VAL 70 3HG2 VAL 70 -11.470 -9.711 6.287 503 HG22 VAL 70 1HG2 VAL 70 -12.452 -8.263 6.498 504 HG23 VAL 70 2HG2 VAL 70 -10.710 -8.118 6.282 505 H LEU 71 H LEU 71 -12.366 -10.197 2.147 506 HA LEU 71 HA LEU 71 -12.644 -8.341 0.077 507 HB2 LEU 71 2HB LEU 71 -12.295 -11.298 0.208 508 HB3 LEU 71 1HB LEU 71 -12.733 -10.580 -1.330 509 HG LEU 71 HG LEU 71 -10.731 -9.296 -1.412 510 HD11 LEU 71 1HD1 LEU 71 -10.593 -8.569 0.879 511 HD12 LEU 71 2HD1 LEU 71 -9.071 -9.326 0.405 512 HD13 LEU 71 3HD1 LEU 71 -10.219 -10.208 1.411 513 HD21 LEU 71 3HD2 LEU 71 -8.985 -11.044 -1.241 514 HD22 LEU 71 1HD2 LEU 71 -10.429 -11.575 -2.104 515 HD23 LEU 71 2HD2 LEU 71 -10.160 -12.088 -0.438 516 H THR 72 H THR 72 -14.986 -10.112 1.753 517 HA THR 72 HA THR 72 -16.962 -10.018 -0.387 518 HB THR 72 HB THR 72 -17.173 -10.986 2.474 519 HG1 THR 72 1HG THR 72 -16.643 -12.208 -0.002 520 HG21 THR 72 3HG2 THR 72 -19.181 -10.956 0.221 521 HG22 THR 72 1HG2 THR 72 -19.347 -10.263 1.833 522 HG23 THR 72 2HG2 THR 72 -19.328 -12.013 1.627 523 H HIS 73 H HIS 73 -16.283 -8.562 2.751 524 HA HIS 73 HA HIS 73 -18.609 -7.026 3.016 525 HB2 HIS 73 2HB HIS 73 -16.962 -7.437 4.831 526 HB3 HIS 73 1HB HIS 73 -15.830 -6.364 4.014 527 HD1 HIS 73 1HD HIS 73 -16.095 -3.883 4.403 528 HD2 HIS 73 2HD HIS 73 -19.254 -6.107 5.934 529 HE1 HIS 73 1HE HIS 73 -17.448 -2.271 5.779 530 HE2 HIS 73 2HE HIS 73 -19.315 -3.654 6.751 531 H TYR 74 H TYR 74 -15.527 -6.364 1.423 532 HA TYR 74 HA TYR 74 -16.466 -3.736 0.576 533 HB2 TYR 74 2HB TYR 74 -13.826 -5.167 0.283 534 HB3 TYR 74 1HB TYR 74 -14.162 -3.626 -0.500 535 HD1 TYR 74 2HD TYR 74 -14.111 -5.257 2.850 536 HD2 TYR 74 1HD TYR 74 -13.785 -1.631 0.648 537 HE1 TYR 74 2HE TYR 74 -13.449 -4.076 4.902 538 HE2 TYR 74 1HE TYR 74 -13.121 -0.441 2.695 539 HH TYR 74 HH TYR 74 -12.208 -2.036 5.536 540 H ASN 75 H ASN 75 -17.303 -6.584 -0.396 541 HA ASN 75 HA ASN 75 -18.045 -7.538 -2.318 542 HB2 ASN 75 2HB ASN 75 -18.037 -4.643 -3.171 543 HB3 ASN 75 1HB ASN 75 -18.746 -5.943 -4.125 544 HD21 ASN 75 1HD2 ASN 75 -20.795 -5.059 -3.991 545 HD22 ASN 75 2HD2 ASN 75 -21.729 -5.105 -2.538 546 H ILE 76 H ILE 76 -15.122 -7.139 -1.917 547 HA ILE 76 HA ILE 76 -13.809 -6.557 -4.318 548 HB ILE 76 HB ILE 76 -12.936 -8.554 -2.229 549 HG12 ILE 76 2HG1 ILE 76 -13.503 -6.411 -1.199 550 HG13 ILE 76 1HG1 ILE 76 -11.768 -6.674 -1.168 551 HG21 ILE 76 1HG2 ILE 76 -11.616 -8.722 -4.229 552 HG22 ILE 76 2HG2 ILE 76 -10.662 -7.935 -2.972 553 HG23 ILE 76 3HG2 ILE 76 -11.380 -6.978 -4.264 554 HD11 ILE 76 3HD1 ILE 76 -13.236 -4.916 -3.121 555 HD12 ILE 76 1HD1 ILE 76 -11.491 -5.156 -3.049 556 HD13 ILE 76 2HD1 ILE 76 -12.328 -4.366 -1.713 557 H THR 77 H THR 77 -13.912 -7.548 -6.225 558 HA THR 77 HA THR 77 -14.197 -10.463 -6.311 559 HB THR 77 HB THR 77 -15.810 -10.287 -8.188 560 HG1 THR 77 1HG THR 77 -16.449 -8.377 -8.905 561 HG21 THR 77 3HG2 THR 77 -16.660 -10.734 -5.968 562 HG22 THR 77 1HG2 THR 77 -17.771 -9.662 -6.819 563 HG23 THR 77 2HG2 THR 77 -16.682 -9.010 -5.595 564 H GLY 78 H GLY 78 -11.793 -9.598 -6.658 565 HA2 GLY 78 2HA GLY 78 -10.746 -10.489 -8.927 566 HA3 GLY 78 1HA GLY 78 -11.305 -8.908 -9.452 567 H ASN 79 H ASN 79 -9.760 -10.002 -6.436 568 HA ASN 79 HA ASN 79 -8.010 -9.133 -5.258 569 HB2 ASN 79 2HB ASN 79 -6.799 -8.841 -8.010 570 HB3 ASN 79 1HB ASN 79 -5.931 -9.002 -6.488 571 HD21 ASN 79 1HD2 ASN 79 -5.737 -10.647 -8.847 572 HD22 ASN 79 2HD2 ASN 79 -6.159 -12.251 -8.368 573 H THR 80 H THR 80 -9.967 -7.285 -5.682 574 HA THR 80 HA THR 80 -9.106 -4.853 -6.849 575 HB THR 80 HB THR 80 -11.242 -5.379 -4.767 576 HG1 THR 80 1HG THR 80 -11.273 -6.306 -7.066 577 HG21 THR 80 3HG2 THR 80 -10.563 -3.003 -4.831 578 HG22 THR 80 1HG2 THR 80 -12.212 -3.248 -5.407 579 HG23 THR 80 2HG2 THR 80 -10.907 -2.972 -6.558 580 H ILE 81 H ILE 81 -8.542 -2.901 -5.857 581 HA ILE 81 HA ILE 81 -7.381 -3.097 -3.149 582 HB ILE 81 HB ILE 81 -6.428 -1.466 -5.514 583 HG12 ILE 81 2HG1 ILE 81 -5.107 -3.683 -3.936 584 HG13 ILE 81 1HG1 ILE 81 -5.762 -3.831 -5.561 585 HG21 ILE 81 1HG2 ILE 81 -5.406 -1.475 -2.676 586 HG22 ILE 81 2HG2 ILE 81 -6.261 -0.153 -3.472 587 HG23 ILE 81 3HG2 ILE 81 -4.661 -0.634 -4.037 588 HD11 ILE 81 3HD1 ILE 81 -4.111 -2.126 -6.301 589 HD12 ILE 81 1HD1 ILE 81 -3.399 -3.630 -5.713 590 HD13 ILE 81 2HD1 ILE 81 -3.399 -2.195 -4.687 591 H CYS 82 H CYS 82 -8.442 -1.865 -1.711 592 HA CYS 82 HA CYS 82 -10.028 0.362 -2.783 593 HB2 CYS 82 2HB CYS 82 -10.416 -1.197 -0.235 594 HB3 CYS 82 1HB CYS 82 -11.423 0.145 -0.762 595 HG CYS 82 HG CYS 82 -11.171 -2.255 -3.062 596 H LEU 83 H LEU 83 -9.760 2.371 -2.131 597 HA LEU 83 HA LEU 83 -7.752 2.914 -0.059 598 HB2 LEU 83 2HB LEU 83 -6.998 3.978 -1.962 599 HB3 LEU 83 1HB LEU 83 -8.612 4.322 -2.543 600 HG LEU 83 HG LEU 83 -8.850 6.161 -1.006 601 HD11 LEU 83 1HD1 LEU 83 -7.495 5.038 0.831 602 HD12 LEU 83 2HD1 LEU 83 -7.311 6.781 0.646 603 HD13 LEU 83 3HD1 LEU 83 -6.069 5.692 0.022 604 HD21 LEU 83 3HD2 LEU 83 -6.923 7.588 -1.748 605 HD22 LEU 83 1HD2 LEU 83 -7.796 6.763 -3.040 606 HD23 LEU 83 2HD2 LEU 83 -6.239 6.144 -2.495 607 H PHE 84 H PHE 84 -8.815 3.106 1.842 608 HA PHE 84 HA PHE 84 -11.356 4.547 1.908 609 HB2 PHE 84 2HB PHE 84 -10.670 2.243 3.119 610 HB3 PHE 84 1HB PHE 84 -10.242 3.381 4.393 611 HD1 PHE 84 2HD PHE 84 -12.044 5.085 5.076 612 HD2 PHE 84 1HD PHE 84 -12.860 1.540 2.868 613 HE1 PHE 84 2HE PHE 84 -14.404 5.215 5.748 614 HE2 PHE 84 1HE PHE 84 -15.225 1.665 3.536 615 HZ PHE 84 HZ PHE 84 -15.999 3.504 4.978 616 H ARG 85 H ARG 85 -11.398 6.624 2.401 617 HA ARG 85 HA ARG 85 -9.123 7.793 3.868 618 HB2 ARG 85 2HB ARG 85 -11.070 9.622 2.626 619 HB3 ARG 85 1HB ARG 85 -9.311 9.652 2.597 620 HG2 ARG 85 2HG ARG 85 -9.310 7.911 0.880 621 HG3 ARG 85 1HG ARG 85 -11.081 7.913 0.892 622 HD2 ARG 85 2HD ARG 85 -9.233 10.141 0.054 623 HD3 ARG 85 1HD ARG 85 -10.374 9.247 -0.951 624 HE ARG 85 HE ARG 85 -11.636 10.638 1.214 625 HH11 ARG 85 1HH1 ARG 85 -10.409 10.935 -2.035 626 HH12 ARG 85 2HH1 ARG 85 -11.406 12.295 -2.426 627 HH21 ARG 85 1HH2 ARG 85 -12.953 12.436 0.706 628 HH22 ARG 85 2HH2 ARG 85 -12.852 13.148 -0.870 629 H LEU 86 H LEU 86 -9.694 7.481 5.956 630 HA LEU 86 HA LEU 86 -12.073 7.488 7.239 631 HB2 LEU 86 2HB LEU 86 -10.393 6.989 8.671 632 HB3 LEU 86 1HB LEU 86 -9.314 8.193 7.998 633 HG LEU 86 HG LEU 86 -10.698 9.937 9.217 634 HD11 LEU 86 1HD1 LEU 86 -12.675 8.533 9.595 635 HD12 LEU 86 2HD1 LEU 86 -12.029 9.191 11.098 636 HD13 LEU 86 3HD1 LEU 86 -11.728 7.505 10.671 637 HD21 LEU 86 3HD2 LEU 86 -8.532 9.357 10.020 638 HD22 LEU 86 1HD2 LEU 86 -9.136 7.864 10.739 639 HD23 LEU 86 2HD2 LEU 86 -9.623 9.422 11.405 640 H VAL 87 H VAL 87 -10.105 10.434 6.802 641 HA VAL 87 HA VAL 87 -11.560 12.314 8.056 642 HB VAL 87 HB VAL 87 -11.047 13.727 5.812 643 HG11 VAL 87 1HG1 VAL 87 -10.182 14.258 7.993 644 HG12 VAL 87 2HG1 VAL 87 -8.845 14.216 6.843 645 HG13 VAL 87 3HG1 VAL 87 -9.101 12.865 7.947 646 HG21 VAL 87 3HG2 VAL 87 -10.338 11.797 4.539 647 HG22 VAL 87 1HG2 VAL 87 -9.166 11.370 5.791 648 HG23 VAL 87 2HG2 VAL 87 -8.954 12.848 4.848 649 H ASP 88 H ASP 88 -12.179 11.481 4.640 650 HA ASP 88 HA ASP 88 -14.807 12.727 4.889 651 HB2 ASP 88 2HB ASP 88 -13.164 11.891 2.507 652 HB3 ASP 88 1HB ASP 88 -14.839 12.422 2.365 653 H ASN 89 H ASN 89 -13.613 9.805 5.478 654 HA ASN 89 HA ASN 89 -14.372 7.664 5.489 655 HB2 ASN 89 2HB ASN 89 -16.065 8.665 6.904 656 HB3 ASN 89 1HB ASN 89 -17.014 9.130 5.499 657 HD21 ASN 89 1HD2 ASN 89 -18.812 7.994 6.165 658 HD22 ASN 89 2HD2 ASN 89 -18.884 6.269 6.147 659 H GLU 90 H GLU 90 -13.559 8.362 3.012 660 HA GLU 90 HA GLU 90 -15.634 7.515 1.132 661 HB2 GLU 90 2HB GLU 90 -12.830 8.490 0.574 662 HB3 GLU 90 1HB GLU 90 -14.090 8.210 -0.618 663 HG2 GLU 90 2HG GLU 90 -14.213 10.246 1.585 664 HG3 GLU 90 1HG GLU 90 -13.783 10.579 -0.090 665 H GLN 91 H GLN 91 -15.131 5.888 -0.481 666 HA GLN 91 HA GLN 91 -13.017 4.009 0.253 667 HB2 GLN 91 2HB GLN 91 -15.058 3.253 1.411 668 HB3 GLN 91 1HB GLN 91 -15.905 3.204 -0.127 669 HG2 GLN 91 2HG GLN 91 -13.403 1.637 0.100 670 HG3 GLN 91 1HG GLN 91 -14.816 1.053 0.977 671 HE21 GLN 91 1HE2 GLN 91 -13.411 -0.115 -1.296 672 HE22 GLN 91 2HE2 GLN 91 -14.588 -0.293 -2.548 673 H LEU 92 H LEU 92 -11.909 4.512 -1.614 674 HA LEU 92 HA LEU 92 -13.194 4.383 -4.190 675 HB2 LEU 92 2HB LEU 92 -10.266 4.589 -3.465 676 HB3 LEU 92 1HB LEU 92 -10.913 4.733 -5.086 677 HG LEU 92 HG LEU 92 -10.459 6.932 -4.360 678 HD11 LEU 92 1HD1 LEU 92 -12.656 8.002 -4.281 679 HD12 LEU 92 2HD1 LEU 92 -13.406 6.433 -3.978 680 HD13 LEU 92 3HD1 LEU 92 -12.583 6.736 -5.508 681 HD21 LEU 92 3HD2 LEU 92 -10.335 6.305 -1.928 682 HD22 LEU 92 1HD2 LEU 92 -12.086 6.499 -1.870 683 HD23 LEU 92 2HD2 LEU 92 -11.060 7.873 -2.278 684 H ASN 93 H ASN 93 -12.954 2.741 -5.728 685 HA ASN 93 HA ASN 93 -11.725 0.270 -4.691 686 HB2 ASN 93 2HB ASN 93 -13.490 -0.843 -6.269 687 HB3 ASN 93 1HB ASN 93 -13.968 -0.298 -4.668 688 HD21 ASN 93 1HD2 ASN 93 -16.105 -0.029 -5.220 689 HD22 ASN 93 2HD2 ASN 93 -16.652 1.232 -6.266 690 H LEU 94 H LEU 94 -10.137 -0.490 -5.808 691 HA LEU 94 HA LEU 94 -9.864 0.185 -8.660 692 HB2 LEU 94 2HB LEU 94 -8.084 0.896 -6.900 693 HB3 LEU 94 1HB LEU 94 -7.646 -0.801 -6.876 694 HG LEU 94 HG LEU 94 -7.732 0.527 -9.526 695 HD11 LEU 94 1HD1 LEU 94 -5.555 1.008 -7.491 696 HD12 LEU 94 2HD1 LEU 94 -6.630 2.223 -8.182 697 HD13 LEU 94 3HD1 LEU 94 -5.454 1.402 -9.207 698 HD21 LEU 94 3HD2 LEU 94 -7.189 -1.847 -9.264 699 HD22 LEU 94 1HD2 LEU 94 -5.840 -1.422 -8.212 700 HD23 LEU 94 2HD2 LEU 94 -5.826 -0.936 -9.909 701 H GLU 95 H GLU 95 -11.377 -1.543 -9.045 702 HA GLU 95 HA GLU 95 -10.764 -4.225 -8.234 703 HB2 GLU 95 2HB GLU 95 -12.809 -3.304 -10.245 704 HB3 GLU 95 1HB GLU 95 -12.769 -4.845 -9.398 705 HG2 GLU 95 2HG GLU 95 -13.219 -3.778 -7.307 706 HG3 GLU 95 1HG GLU 95 -13.086 -2.180 -8.042 707 H ASP 96 H ASP 96 -11.529 -5.696 -10.416 708 HA ASP 96 HA ASP 96 -9.152 -6.299 -11.660 709 HB2 ASP 96 2HB ASP 96 -11.059 -7.817 -11.621 710 HB3 ASP 96 1HB ASP 96 -11.945 -6.760 -12.715 711 H GLU 97 H GLU 97 -11.645 -4.042 -12.747 712 HA GLU 97 HA GLU 97 -10.755 -3.610 -15.348 713 HB2 GLU 97 2HB GLU 97 -11.809 -1.354 -15.132 714 HB3 GLU 97 1HB GLU 97 -12.849 -2.677 -14.623 715 HG2 GLU 97 2HG GLU 97 -12.298 -2.196 -12.283 716 HG3 GLU 97 1HG GLU 97 -11.287 -0.852 -12.811 717 H ASP 98 H ASP 98 -9.234 -2.938 -12.426 718 HA ASP 98 HA ASP 98 -7.197 -1.323 -13.788 719 HB2 ASP 98 2HB ASP 98 -8.350 -0.894 -11.021 720 HB3 ASP 98 1HB ASP 98 -6.861 -0.135 -11.585 721 H ILE 99 H ILE 99 -7.920 -4.060 -11.911 722 HA ILE 99 HA ILE 99 -5.256 -4.322 -10.769 723 HB ILE 99 HB ILE 99 -7.711 -6.074 -10.572 724 HG12 ILE 99 2HG1 ILE 99 -7.698 -3.895 -9.360 725 HG13 ILE 99 1HG1 ILE 99 -7.863 -5.299 -8.317 726 HG21 ILE 99 1HG2 ILE 99 -4.977 -6.469 -9.372 727 HG22 ILE 99 2HG2 ILE 99 -5.862 -7.568 -10.433 728 HG23 ILE 99 3HG2 ILE 99 -6.430 -7.278 -8.786 729 HD11 ILE 99 3HD1 ILE 99 -5.381 -3.658 -8.756 730 HD12 ILE 99 1HD1 ILE 99 -5.461 -5.128 -7.785 731 HD13 ILE 99 2HD1 ILE 99 -6.388 -3.707 -7.308 732 H GLU 100 H GLU 100 -7.092 -5.442 -13.481 733 HA GLU 100 HA GLU 100 -5.769 -7.815 -14.109 734 HB2 GLU 100 2HB GLU 100 -7.823 -6.994 -15.237 735 HB3 GLU 100 1HB GLU 100 -6.861 -5.766 -16.047 736 HG2 GLU 100 2HG GLU 100 -7.316 -7.653 -17.509 737 HG3 GLU 100 1HG GLU 100 -5.589 -7.484 -17.195 738 H SER 101 H SER 101 -5.077 -4.512 -15.225 739 HA SER 101 HA SER 101 -2.342 -5.391 -15.878 740 HB2 SER 101 2HB SER 101 -3.964 -3.176 -17.159 741 HB3 SER 101 1HB SER 101 -2.293 -3.574 -17.555 742 HG SER 101 HG SER 101 -3.187 -4.870 -18.951 743 H ILE 102 H ILE 102 -3.208 -4.550 -13.290 744 HA ILE 102 HA ILE 102 -2.764 -1.863 -12.718 745 HB ILE 102 HB ILE 102 -3.716 -3.410 -11.079 746 HG12 ILE 102 2HG1 ILE 102 -2.265 -2.670 -9.105 747 HG13 ILE 102 1HG1 ILE 102 -1.208 -1.923 -10.298 748 HG21 ILE 102 1HG2 ILE 102 -2.153 -4.876 -9.783 749 HG22 ILE 102 2HG2 ILE 102 -0.928 -4.566 -11.015 750 HG23 ILE 102 3HG2 ILE 102 -2.428 -5.389 -11.448 751 HD11 ILE 102 3HD1 ILE 102 -3.267 -0.680 -11.109 752 HD12 ILE 102 1HD1 ILE 102 -2.598 -0.207 -9.547 753 HD13 ILE 102 2HD1 ILE 102 -4.033 -1.225 -9.618 754 H ASP 103 H ASP 103 -1.010 -0.657 -12.253 755 HA ASP 103 HA ASP 103 1.630 -1.924 -12.294 756 HB2 ASP 103 2HB ASP 103 0.987 0.623 -13.791 757 HB3 ASP 103 1HB ASP 103 2.530 -0.224 -13.755 758 H ALA 104 H ALA 104 3.235 -0.770 -11.089 759 HA ALA 104 HA ALA 104 2.416 0.344 -8.721 760 HB1 ALA 104 1HB ALA 104 4.990 0.889 -10.186 761 HB2 ALA 104 2HB ALA 104 4.673 -0.425 -9.048 762 HB3 ALA 104 3HB ALA 104 4.688 1.245 -8.484 763 H THR 105 H THR 105 2.940 1.918 -11.795 764 HA THR 105 HA THR 105 2.787 4.596 -10.920 765 HB THR 105 HB THR 105 2.036 3.409 -13.599 766 HG1 THR 105 1HG THR 105 4.157 4.212 -14.149 767 HG21 THR 105 3HG2 THR 105 2.417 5.733 -14.422 768 HG22 THR 105 1HG2 THR 105 2.483 6.260 -12.738 769 HG23 THR 105 2HG2 THR 105 1.000 5.554 -13.384 770 H LYS 106 H LYS 106 0.339 2.371 -12.204 771 HA LYS 106 HA LYS 106 -1.835 4.131 -12.116 772 HB2 LYS 106 2HB LYS 106 -1.854 1.119 -11.787 773 HB3 LYS 106 1HB LYS 106 -3.237 2.121 -12.215 774 HG2 LYS 106 2HG LYS 106 -2.171 2.757 -14.297 775 HG3 LYS 106 1HG LYS 106 -0.732 1.831 -13.864 776 HD2 LYS 106 2HD LYS 106 -1.985 0.473 -15.353 777 HD3 LYS 106 1HD LYS 106 -2.229 -0.201 -13.740 778 HE2 LYS 106 2HE LYS 106 -4.340 -0.142 -14.895 779 HE3 LYS 106 1HE LYS 106 -4.363 1.042 -13.589 780 HZ1 LYS 106 3HZ LYS 106 -3.885 2.776 -15.210 781 HZ2 LYS 106 1HZ LYS 106 -5.311 1.954 -15.606 782 HZ3 LYS 106 2HZ LYS 106 -3.884 1.638 -16.459 783 H LEU 107 H LEU 107 -0.982 1.571 -9.752 784 HA LEU 107 HA LEU 107 -2.914 2.134 -7.857 785 HB2 LEU 107 2HB LEU 107 -0.743 0.449 -7.995 786 HB3 LEU 107 1HB LEU 107 -0.273 1.541 -6.710 787 HG LEU 107 HG LEU 107 -2.490 -0.461 -6.774 788 HD11 LEU 107 1HD1 LEU 107 -1.637 -0.816 -4.437 789 HD12 LEU 107 2HD1 LEU 107 -0.351 0.335 -4.810 790 HD13 LEU 107 3HD1 LEU 107 -0.484 -1.169 -5.722 791 HD21 LEU 107 3HD2 LEU 107 -3.485 0.589 -4.766 792 HD22 LEU 107 1HD2 LEU 107 -3.689 1.558 -6.226 793 HD23 LEU 107 2HD2 LEU 107 -2.467 2.004 -5.037 794 H SER 108 H SER 108 0.422 3.373 -7.939 795 HA SER 108 HA SER 108 0.209 5.153 -5.803 796 HB2 SER 108 2HB SER 108 1.947 5.323 -8.274 797 HB3 SER 108 1HB SER 108 2.177 6.285 -6.814 798 HG SER 108 HG SER 108 3.146 4.645 -5.943 799 H ARG 109 H ARG 109 -0.789 5.447 -9.128 800 HA ARG 109 HA ARG 109 -1.138 8.260 -9.140 801 HB2 ARG 109 2HB ARG 109 -0.907 6.858 -11.189 802 HB3 ARG 109 1HB ARG 109 -2.492 6.183 -10.868 803 HG2 ARG 109 2HG ARG 109 -2.131 9.136 -11.169 804 HG3 ARG 109 1HG ARG 109 -2.265 8.088 -12.582 805 HD2 ARG 109 2HD ARG 109 -4.395 7.203 -11.626 806 HD3 ARG 109 1HD ARG 109 -4.275 8.434 -10.364 807 HE ARG 109 HE ARG 109 -4.147 9.949 -12.537 808 HH11 ARG 109 1HH1 ARG 109 -6.260 7.278 -11.800 809 HH12 ARG 109 2HH1 ARG 109 -7.578 7.894 -12.742 810 HH21 ARG 109 1HH2 ARG 109 -5.877 10.768 -13.777 811 HH22 ARG 109 2HH2 ARG 109 -7.359 9.876 -13.867 812 H PHE 110 H PHE 110 -3.598 5.692 -9.260 813 HA PHE 110 HA PHE 110 -5.844 7.111 -8.708 814 HB2 PHE 110 2HB PHE 110 -5.014 4.337 -7.910 815 HB3 PHE 110 1HB PHE 110 -6.554 4.990 -7.348 816 HD1 PHE 110 1HD PHE 110 -4.597 4.591 -10.499 817 HD2 PHE 110 2HD PHE 110 -8.422 4.665 -8.639 818 HE1 PHE 110 1HE PHE 110 -5.642 3.972 -12.638 819 HE2 PHE 110 2HE PHE 110 -9.475 4.044 -10.774 820 HZ PHE 110 HZ PHE 110 -8.085 3.698 -12.777 821 H ILE 111 H ILE 111 -3.507 5.892 -6.333 822 HA ILE 111 HA ILE 111 -4.836 6.840 -4.040 823 HB ILE 111 HB ILE 111 -1.876 6.433 -4.523 824 HG12 ILE 111 2HG1 ILE 111 -3.794 4.712 -2.952 825 HG13 ILE 111 1HG1 ILE 111 -3.466 4.454 -4.658 826 HG21 ILE 111 1HG2 ILE 111 -3.361 6.905 -1.942 827 HG22 ILE 111 2HG2 ILE 111 -2.198 7.995 -2.702 828 HG23 ILE 111 3HG2 ILE 111 -1.666 6.433 -2.074 829 HD11 ILE 111 3HD1 ILE 111 -1.111 4.088 -4.158 830 HD12 ILE 111 1HD1 ILE 111 -2.144 2.970 -3.268 831 HD13 ILE 111 2HD1 ILE 111 -1.435 4.360 -2.445 832 H GLU 112 H GLU 112 -2.135 8.248 -5.876 833 HA GLU 112 HA GLU 112 -1.948 10.677 -4.558 834 HB2 GLU 112 2HB GLU 112 -0.377 9.780 -6.305 835 HB3 GLU 112 1HB GLU 112 -1.561 10.241 -7.524 836 HG2 GLU 112 2HG GLU 112 -1.354 12.577 -6.842 837 HG3 GLU 112 1HG GLU 112 -0.165 12.117 -5.625 838 H ILE 113 H ILE 113 -4.409 9.483 -6.573 839 HA ILE 113 HA ILE 113 -5.425 12.088 -7.332 840 HB ILE 113 HB ILE 113 -5.870 9.314 -8.179 841 HG12 ILE 113 2HG1 ILE 113 -6.130 10.386 -10.362 842 HG13 ILE 113 1HG1 ILE 113 -6.177 11.969 -9.594 843 HG21 ILE 113 1HG2 ILE 113 -8.080 9.634 -7.361 844 HG22 ILE 113 2HG2 ILE 113 -8.117 9.785 -9.117 845 HG23 ILE 113 3HG2 ILE 113 -8.185 11.230 -8.108 846 HD11 ILE 113 3HD1 ILE 113 -4.005 11.470 -10.612 847 HD12 ILE 113 1HD1 ILE 113 -3.831 10.086 -9.534 848 HD13 ILE 113 2HD1 ILE 113 -3.886 11.719 -8.869 849 H ASN 114 H ASN 114 -6.272 9.445 -5.125 850 HA ASN 114 HA ASN 114 -8.370 11.199 -4.024 851 HB2 ASN 114 2HB ASN 114 -8.433 8.188 -4.250 852 HB3 ASN 114 1HB ASN 114 -9.620 9.154 -3.378 853 HD21 ASN 114 1HD2 ASN 114 -9.613 11.318 -5.280 854 HD22 ASN 114 2HD2 ASN 114 -10.453 10.753 -6.680 855 H SER 115 H SER 115 -5.531 10.878 -3.215 856 HA SER 115 HA SER 115 -5.615 9.480 -0.696 857 HB2 SER 115 2HB SER 115 -3.325 10.331 -0.394 858 HB3 SER 115 1HB SER 115 -3.526 9.600 -1.989 859 HG SER 115 HG SER 115 -3.900 12.367 -1.613 860 H LEU 116 H LEU 116 -7.654 11.328 -0.795 861 HA LEU 116 HA LEU 116 -6.823 13.676 0.692 862 HB2 LEU 116 2HB LEU 116 -9.596 12.818 -0.115 863 HB3 LEU 116 1HB LEU 116 -9.118 14.400 0.474 864 HG LEU 116 HG LEU 116 -8.260 13.165 -2.146 865 HD11 LEU 116 1HD1 LEU 116 -10.618 13.815 -2.111 866 HD12 LEU 116 2HD1 LEU 116 -9.672 14.860 -3.169 867 HD13 LEU 116 3HD1 LEU 116 -10.164 15.433 -1.575 868 HD21 LEU 116 3HD2 LEU 116 -7.724 15.899 -0.987 869 HD22 LEU 116 1HD2 LEU 116 -7.319 15.379 -2.623 870 HD23 LEU 116 2HD2 LEU 116 -6.537 14.620 -1.238
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