NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
521793 | 2ljw | 17965 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -10.619 1.325 2.004 2 H2 MET 1 2H MET 1 -10.851 -0.301 2.396 3 H3 MET 1 3H MET 1 -11.812 0.428 1.214 4 HA MET 1 HA MET 1 -9.964 0.710 -0.223 5 HB2 MET 1 2HB MET 1 -8.211 0.971 1.542 6 HB3 MET 1 1HB MET 1 -8.352 -0.741 1.925 7 HG2 MET 1 2HG MET 1 -6.423 -0.532 0.555 8 HG3 MET 1 1HG MET 1 -7.665 -1.212 -0.487 9 HE1 MET 1 3HE MET 1 -6.708 2.366 0.802 10 HE2 MET 1 1HE MET 1 -6.006 3.055 -0.663 11 HE3 MET 1 2HE MET 1 -5.217 1.694 0.134 12 H THR 2 H THR 2 -10.594 -0.691 -1.735 13 HA THR 2 HA THR 2 -10.403 -3.619 -1.304 14 HB THR 2 HB THR 2 -11.560 -3.795 -3.526 15 HG1 THR 2 HG1 THR 2 -12.580 -1.581 -4.110 16 HG21 THR 2 3HG2 THR 2 -13.793 -2.988 -2.850 17 HG22 THR 2 1HG2 THR 2 -13.055 -2.017 -1.572 18 HG23 THR 2 2HG2 THR 2 -12.969 -3.780 -1.501 19 H GLY 3 H GLY 3 -9.340 -4.759 -3.255 20 HA2 GLY 3 2HA GLY 3 -6.748 -3.839 -3.873 21 HA3 GLY 3 1HA GLY 3 -7.626 -5.089 -4.743 22 H GLN 4 H GLN 4 -9.821 -3.373 -5.466 23 HA GLN 4 HA GLN 4 -9.046 -2.115 -7.858 24 HB2 GLN 4 2HB GLN 4 -11.352 -2.883 -7.475 25 HB3 GLN 4 1HB GLN 4 -11.540 -1.762 -6.130 26 HG2 GLN 4 2HG GLN 4 -11.277 0.135 -7.731 27 HG3 GLN 4 1HG GLN 4 -11.223 -1.025 -9.056 28 HE21 GLN 4 1HE2 GLN 4 -13.066 -0.171 -10.039 29 HE22 GLN 4 2HE2 GLN 4 -14.650 -0.371 -9.378 30 H GLU 5 H GLU 5 -10.110 -0.638 -4.741 31 HA GLU 5 HA GLU 5 -9.635 2.061 -5.379 32 HB2 GLU 5 2HB GLU 5 -9.600 0.694 -2.649 33 HB3 GLU 5 1HB GLU 5 -9.617 2.446 -2.876 34 HG2 GLU 5 2HG GLU 5 -11.801 2.286 -3.995 35 HG3 GLU 5 1HG GLU 5 -11.787 0.530 -3.782 36 H LEU 6 H LEU 6 -7.503 -0.434 -4.179 37 HA LEU 6 HA LEU 6 -5.414 1.218 -3.213 38 HB2 LEU 6 2HB LEU 6 -5.844 -1.133 -2.497 39 HB3 LEU 6 1HB LEU 6 -5.297 -1.692 -4.066 40 HG LEU 6 HG LEU 6 -3.011 -0.977 -3.610 41 HD11 LEU 6 1HD1 LEU 6 -2.318 0.054 -1.485 42 HD12 LEU 6 2HD1 LEU 6 -4.007 0.174 -0.979 43 HD13 LEU 6 3HD1 LEU 6 -3.430 1.096 -2.370 44 HD21 LEU 6 3HD2 LEU 6 -2.473 -2.426 -1.698 45 HD22 LEU 6 1HD2 LEU 6 -3.658 -3.168 -2.765 46 HD23 LEU 6 2HD2 LEU 6 -4.176 -2.459 -1.232 47 H ARG 7 H ARG 7 -5.704 -0.732 -6.239 48 HA ARG 7 HA ARG 7 -3.307 0.219 -7.403 49 HB2 ARG 7 2HB ARG 7 -4.123 -0.679 -9.538 50 HB3 ARG 7 1HB ARG 7 -4.382 -1.821 -8.233 51 HG2 ARG 7 2HG ARG 7 -6.753 -1.347 -8.178 52 HG3 ARG 7 1HG ARG 7 -6.567 -0.022 -9.332 53 HD2 ARG 7 2HD ARG 7 -6.072 -2.967 -9.883 54 HD3 ARG 7 1HD ARG 7 -7.465 -2.028 -10.427 55 HE ARG 7 HE ARG 7 -5.970 -0.729 -11.803 56 HH11 ARG 7 1HH1 ARG 7 -4.596 -3.732 -10.620 57 HH12 ARG 7 2HH1 ARG 7 -3.411 -3.817 -11.877 58 HH21 ARG 7 1HH2 ARG 7 -4.448 -0.861 -13.437 59 HH22 ARG 7 2HH2 ARG 7 -3.329 -2.187 -13.478 60 H GLN 8 H GLN 8 -6.652 1.428 -7.562 61 HA GLN 8 HA GLN 8 -6.233 3.416 -9.546 62 HB2 GLN 8 2HB GLN 8 -8.367 3.193 -7.382 63 HB3 GLN 8 1HB GLN 8 -8.399 4.406 -8.663 64 HG2 GLN 8 2HG GLN 8 -8.429 1.403 -9.135 65 HG3 GLN 8 1HG GLN 8 -9.870 2.419 -9.085 66 HE21 GLN 8 1HE2 GLN 8 -6.962 1.653 -10.891 67 HE22 GLN 8 2HE2 GLN 8 -7.446 2.394 -12.373 68 H LEU 9 H LEU 9 -5.766 3.344 -6.061 69 HA LEU 9 HA LEU 9 -5.362 6.137 -5.662 70 HB2 LEU 9 2HB LEU 9 -5.895 4.457 -3.851 71 HB3 LEU 9 1HB LEU 9 -4.273 3.815 -4.017 72 HG LEU 9 HG LEU 9 -3.327 5.986 -3.244 73 HD11 LEU 9 1HD1 LEU 9 -6.201 6.861 -2.833 74 HD12 LEU 9 2HD1 LEU 9 -5.080 7.502 -4.038 75 HD13 LEU 9 3HD1 LEU 9 -4.757 7.744 -2.323 76 HD21 LEU 9 3HD2 LEU 9 -4.003 5.822 -0.891 77 HD22 LEU 9 1HD2 LEU 9 -3.760 4.227 -1.597 78 HD23 LEU 9 2HD2 LEU 9 -5.399 4.837 -1.343 79 H LEU 10 H LEU 10 -3.274 3.438 -6.598 80 HA LEU 10 HA LEU 10 -0.770 4.875 -6.428 81 HB2 LEU 10 2HB LEU 10 -1.378 2.288 -7.924 82 HB3 LEU 10 1HB LEU 10 0.212 2.864 -7.436 83 HG LEU 10 HG LEU 10 -1.990 1.987 -5.527 84 HD11 LEU 10 1HD1 LEU 10 -1.161 0.085 -6.787 85 HD12 LEU 10 2HD1 LEU 10 -0.665 -0.010 -5.099 86 HD13 LEU 10 3HD1 LEU 10 0.502 0.479 -6.334 87 HD21 LEU 10 3HD2 LEU 10 -0.276 2.059 -3.773 88 HD22 LEU 10 1HD2 LEU 10 -0.551 3.646 -4.484 89 HD23 LEU 10 2HD2 LEU 10 0.889 2.720 -4.926 90 H LEU 11 H LEU 11 -3.119 4.130 -8.958 91 HA LEU 11 HA LEU 11 -1.462 4.871 -11.194 92 HB2 LEU 11 2HB LEU 11 -4.393 4.137 -10.953 93 HB3 LEU 11 1HB LEU 11 -3.661 4.572 -12.490 94 HG LEU 11 HG LEU 11 -2.735 2.222 -10.786 95 HD11 LEU 11 1HD1 LEU 11 -5.022 1.816 -11.521 96 HD12 LEU 11 2HD1 LEU 11 -3.890 0.757 -12.359 97 HD13 LEU 11 3HD1 LEU 11 -4.567 2.160 -13.195 98 HD21 LEU 11 3HD2 LEU 11 -1.002 3.102 -12.286 99 HD22 LEU 11 1HD2 LEU 11 -2.094 2.942 -13.666 100 HD23 LEU 11 2HD2 LEU 11 -1.539 1.506 -12.799 101 H ASP 12 H ASP 12 -4.287 6.335 -9.535 102 HA ASP 12 HA ASP 12 -4.461 8.683 -11.125 103 HB2 ASP 12 2HB ASP 12 -5.461 7.999 -8.346 104 HB3 ASP 12 1HB ASP 12 -5.603 9.647 -8.941 105 H LYS 13 H LYS 13 -2.480 7.805 -8.377 106 HA LYS 13 HA LYS 13 -1.674 10.507 -7.731 107 HB2 LYS 13 2HB LYS 13 -1.942 8.658 -6.027 108 HB3 LYS 13 1HB LYS 13 -0.534 7.867 -6.721 109 HG2 LYS 13 2HG LYS 13 0.146 9.037 -4.738 110 HG3 LYS 13 1HG LYS 13 0.837 9.860 -6.141 111 HD2 LYS 13 2HD LYS 13 -1.010 11.541 -6.028 112 HD3 LYS 13 1HD LYS 13 -1.626 10.730 -4.582 113 HE2 LYS 13 2HE LYS 13 0.565 11.194 -3.465 114 HE3 LYS 13 1HE LYS 13 1.050 12.120 -4.892 115 HZ1 LYS 13 3HZ LYS 13 -1.305 12.693 -3.178 116 HZ2 LYS 13 1HZ LYS 13 -0.801 13.601 -4.513 117 HZ3 LYS 13 2HZ LYS 13 0.167 13.522 -3.135 118 H TRP 14 H TRP 14 0.192 7.611 -8.746 119 HA TRP 14 HA TRP 14 2.445 9.357 -9.531 120 HB2 TRP 14 2HB TRP 14 2.425 6.425 -8.708 121 HB3 TRP 14 1HB TRP 14 3.865 7.364 -9.096 122 HD1 TRP 14 HD1 TRP 14 3.568 9.925 -7.459 123 HE1 TRP 14 HE1 TRP 14 3.543 9.913 -4.900 124 HE3 TRP 14 HE3 TRP 14 2.136 5.084 -6.658 125 HZ2 TRP 14 HZ2 TRP 14 3.007 8.127 -2.803 126 HZ3 TRP 14 HZ3 TRP 14 1.892 4.307 -4.333 127 HH2 TRP 14 HH2 TRP 14 2.315 5.796 -2.441 128 H GLY 15 H GLY 15 0.063 7.340 -10.892 129 HA2 GLY 15 2HA GLY 15 -0.373 6.960 -13.132 130 HA3 GLY 15 1HA GLY 15 1.170 7.689 -13.549 131 H TYR 16 H TYR 16 1.265 5.177 -11.207 132 HA TYR 16 HA TYR 16 1.746 3.008 -13.127 133 HB2 TYR 16 2HB TYR 16 3.819 3.888 -11.067 134 HB3 TYR 16 1HB TYR 16 3.876 2.360 -11.929 135 HD1 TYR 16 HD1 TYR 16 4.015 2.455 -14.509 136 HD2 TYR 16 HD2 TYR 16 4.886 5.801 -11.998 137 HE1 TYR 16 HE1 TYR 16 5.276 3.502 -16.338 138 HE2 TYR 16 HE2 TYR 16 6.153 6.850 -13.825 139 HH TYR 16 HH TYR 16 6.041 5.671 -17.056 140 H SER 17 H SER 17 1.469 0.976 -12.215 141 HA SER 17 HA SER 17 -0.014 0.889 -9.683 142 HB2 SER 17 2HB SER 17 -0.641 -1.421 -10.477 143 HB3 SER 17 1HB SER 17 -1.112 -0.151 -11.603 144 HG SER 17 HG SER 17 1.279 -0.864 -12.360 145 H TYR 18 H TYR 18 1.551 0.955 -8.101 146 HA TYR 18 HA TYR 18 4.028 -0.551 -8.252 147 HB2 TYR 18 2HB TYR 18 2.875 1.295 -6.126 148 HB3 TYR 18 1HB TYR 18 4.459 0.532 -5.994 149 HD1 TYR 18 HD1 TYR 18 6.317 1.244 -7.424 150 HD2 TYR 18 HD2 TYR 18 2.506 3.141 -7.714 151 HE1 TYR 18 HE1 TYR 18 7.331 3.089 -8.669 152 HE2 TYR 18 HE2 TYR 18 3.523 4.972 -8.968 153 HH TYR 18 HH TYR 18 6.726 4.810 -10.202 154 H ASP 19 H ASP 19 4.775 -1.961 -6.621 155 HA ASP 19 HA ASP 19 2.846 -3.802 -5.502 156 HB2 ASP 19 2HB ASP 19 4.973 -4.678 -6.390 157 HB3 ASP 19 1HB ASP 19 5.894 -3.652 -5.294 158 H VAL 20 H VAL 20 2.389 -4.032 -3.324 159 HA VAL 20 HA VAL 20 3.476 -2.068 -1.396 160 HB VAL 20 HB VAL 20 1.150 -1.888 -0.376 161 HG11 VAL 20 1HG1 VAL 20 0.270 -0.240 -1.996 162 HG12 VAL 20 2HG1 VAL 20 1.369 -0.860 -3.233 163 HG13 VAL 20 3HG1 VAL 20 2.016 -0.069 -1.795 164 HG21 VAL 20 3HG2 VAL 20 0.242 -3.217 -2.965 165 HG22 VAL 20 1HG2 VAL 20 -0.820 -2.491 -1.754 166 HG23 VAL 20 2HG2 VAL 20 0.134 -3.916 -1.347 167 H GLN 21 H GLN 21 4.171 -3.035 0.440 168 HA GLN 21 HA GLN 21 3.211 -5.737 1.186 169 HB2 GLN 21 2HB GLN 21 6.120 -4.888 0.835 170 HB3 GLN 21 1HB GLN 21 5.653 -6.317 1.757 171 HG2 GLN 21 2HG GLN 21 4.606 -7.267 -0.283 172 HG3 GLN 21 1HG GLN 21 5.133 -5.857 -1.201 173 HE21 GLN 21 1HE2 GLN 21 7.313 -5.665 -1.761 174 HE22 GLN 21 2HE2 GLN 21 8.450 -6.948 -1.560 175 H PHE 22 H PHE 22 3.231 -6.186 3.346 176 HA PHE 22 HA PHE 22 3.260 -3.956 5.200 177 HB2 PHE 22 2HB PHE 22 2.628 -6.917 5.518 178 HB3 PHE 22 1HB PHE 22 2.557 -5.776 6.849 179 HD1 PHE 22 HD1 PHE 22 0.970 -3.751 6.618 180 HD2 PHE 22 HD2 PHE 22 0.731 -7.208 4.099 181 HE1 PHE 22 HE1 PHE 22 -1.345 -3.176 6.033 182 HE2 PHE 22 HE2 PHE 22 -1.577 -6.614 3.525 183 HZ PHE 22 HZ PHE 22 -2.616 -4.600 4.486 184 H ARG 23 H ARG 23 4.643 -3.716 6.964 185 HA ARG 23 HA ARG 23 6.753 -5.658 7.483 186 HB2 ARG 23 2HB ARG 23 7.740 -3.975 5.880 187 HB3 ARG 23 1HB ARG 23 7.419 -2.708 7.059 188 HG2 ARG 23 2HG ARG 23 8.903 -3.854 8.686 189 HG3 ARG 23 1HG ARG 23 9.230 -5.114 7.497 190 HD2 ARG 23 2HD ARG 23 10.246 -3.383 6.012 191 HD3 ARG 23 1HD ARG 23 9.978 -2.179 7.280 192 HE ARG 23 HE ARG 23 11.896 -4.411 7.323 193 HH11 ARG 23 1HH1 ARG 23 10.623 -1.554 8.956 194 HH12 ARG 23 2HH1 ARG 23 11.954 -1.459 10.063 195 HH21 ARG 23 1HH2 ARG 23 13.624 -4.253 8.783 196 HH22 ARG 23 2HH2 ARG 23 13.653 -2.986 9.967 197 H ARG 24 H ARG 24 7.077 -5.895 9.581 198 HA ARG 24 HA ARG 24 5.797 -4.080 11.514 199 HB2 ARG 24 2HB ARG 24 6.713 -6.980 11.735 200 HB3 ARG 24 1HB ARG 24 6.075 -6.044 13.090 201 HG2 ARG 24 2HG ARG 24 3.916 -5.809 11.950 202 HG3 ARG 24 1HG ARG 24 4.547 -6.658 10.534 203 HD2 ARG 24 2HD ARG 24 4.793 -8.706 11.809 204 HD3 ARG 24 1HD ARG 24 4.337 -7.882 13.306 205 HE ARG 24 HE ARG 24 2.216 -7.490 11.611 206 HH11 ARG 24 1HH1 ARG 24 3.842 -10.350 12.854 207 HH12 ARG 24 2HH1 ARG 24 2.415 -11.328 12.798 208 HH21 ARG 24 1HH2 ARG 24 0.351 -8.771 11.593 209 HH22 ARG 24 2HH2 ARG 24 0.431 -10.433 12.085 210 H THR 25 H THR 25 7.047 -2.810 12.712 211 HA THR 25 HA THR 25 9.713 -3.661 13.574 212 HB THR 25 HB THR 25 10.280 -2.303 11.655 213 HG1 THR 25 HG1 THR 25 10.714 -0.487 13.769 214 HG21 THR 25 3HG2 THR 25 8.218 -0.976 11.373 215 HG22 THR 25 1HG2 THR 25 9.640 0.068 11.408 216 HG23 THR 25 2HG2 THR 25 8.603 -0.054 12.830 217 H GLN 26 H GLN 26 9.995 -3.299 15.674 218 HA GLN 26 HA GLN 26 9.779 -2.649 17.808 219 HB2 GLN 26 2HB GLN 26 8.351 -0.186 16.712 220 HB3 GLN 26 1HB GLN 26 8.921 -0.371 18.370 221 HG2 GLN 26 2HG GLN 26 11.253 -0.497 17.545 222 HG3 GLN 26 1HG GLN 26 10.675 -0.307 15.889 223 HE21 GLN 26 1HE2 GLN 26 12.524 1.394 17.359 224 HE22 GLN 26 2HE2 GLN 26 11.826 2.975 17.393 225 H GLY 27 H GLY 27 7.219 -3.673 16.037 226 HA2 GLY 27 2HA GLY 27 5.300 -4.765 16.912 227 HA3 GLY 27 1HA GLY 27 5.297 -3.666 18.285 228 H LYS 28 H LYS 28 5.892 -2.009 15.430 229 HA LYS 28 HA LYS 28 3.111 -1.079 15.087 230 HB2 LYS 28 2HB LYS 28 5.706 0.022 13.917 231 HB3 LYS 28 1HB LYS 28 4.118 0.780 13.799 232 HG2 LYS 28 2HG LYS 28 4.119 1.327 16.134 233 HG3 LYS 28 1HG LYS 28 5.547 0.327 16.440 234 HD2 LYS 28 2HD LYS 28 6.936 1.832 15.092 235 HD3 LYS 28 1HD LYS 28 5.526 2.803 14.652 236 HE2 LYS 28 2HE LYS 28 6.876 3.894 16.412 237 HE3 LYS 28 1HE LYS 28 5.261 3.496 16.997 238 HZ1 LYS 28 3HZ LYS 28 6.158 1.584 18.129 239 HZ2 LYS 28 1HZ LYS 28 7.001 2.965 18.610 240 HZ3 LYS 28 2HZ LYS 28 7.701 1.883 17.515 241 H ILE 29 H ILE 29 2.212 -1.037 12.922 242 HA ILE 29 HA ILE 29 3.526 -2.833 10.955 243 HB ILE 29 HB ILE 29 1.409 -3.784 11.815 244 HG12 ILE 29 2HG1 ILE 29 0.257 -4.184 9.608 245 HG13 ILE 29 1HG1 ILE 29 1.220 -2.892 8.892 246 HG21 ILE 29 1HG2 ILE 29 0.216 -1.721 12.414 247 HG22 ILE 29 2HG2 ILE 29 -0.781 -2.760 11.397 248 HG23 ILE 29 3HG2 ILE 29 -0.002 -1.339 10.706 249 HD11 ILE 29 3HD1 ILE 29 3.247 -4.165 9.267 250 HD12 ILE 29 1HD1 ILE 29 2.071 -5.128 8.381 251 HD13 ILE 29 2HD1 ILE 29 2.333 -5.431 10.095 252 H PHE 30 H PHE 30 3.954 -2.038 8.982 253 HA PHE 30 HA PHE 30 2.996 0.643 8.157 254 HB2 PHE 30 2HB PHE 30 5.825 -0.514 7.991 255 HB3 PHE 30 1HB PHE 30 5.315 0.889 7.058 256 HD1 PHE 30 HD2 PHE 30 5.790 -0.357 10.561 257 HD2 PHE 30 HD1 PHE 30 5.333 3.061 8.029 258 HE1 PHE 30 HE2 PHE 30 6.390 1.121 12.427 259 HE2 PHE 30 HE1 PHE 30 5.937 4.522 9.904 260 HZ PHE 30 HZ PHE 30 6.464 3.558 12.105 261 H LEU 31 H LEU 31 2.374 0.770 6.011 262 HA LEU 31 HA LEU 31 2.690 -1.620 4.305 263 HB2 LEU 31 2HB LEU 31 0.374 -0.693 4.587 264 HB3 LEU 31 1HB LEU 31 0.915 0.817 3.864 265 HG LEU 31 HG LEU 31 1.458 -0.417 1.740 266 HD11 LEU 31 1HD1 LEU 31 0.199 -2.802 3.130 267 HD12 LEU 31 2HD1 LEU 31 1.892 -2.625 2.659 268 HD13 LEU 31 3HD1 LEU 31 0.646 -2.719 1.420 269 HD21 LEU 31 3HD2 LEU 31 -1.422 -0.737 2.645 270 HD22 LEU 31 1HD2 LEU 31 -0.844 -0.745 0.973 271 HD23 LEU 31 2HD2 LEU 31 -0.701 0.717 1.946 272 H GLN 32 H GLN 32 4.686 -1.464 3.426 273 HA GLN 32 HA GLN 32 5.808 1.045 2.490 274 HB2 GLN 32 2HB GLN 32 6.964 -1.772 2.430 275 HB3 GLN 32 1HB GLN 32 7.831 -0.300 1.986 276 HG2 GLN 32 2HG GLN 32 7.405 0.521 4.351 277 HG3 GLN 32 1HG GLN 32 6.826 -1.099 4.730 278 HE21 GLN 32 1HE2 GLN 32 9.130 0.420 5.765 279 HE22 GLN 32 2HE2 GLN 32 10.513 -0.578 5.488 280 H VAL 33 H VAL 33 4.914 1.725 0.656 281 HA VAL 33 HA VAL 33 4.289 0.118 -1.622 282 HB VAL 33 HB VAL 33 4.842 3.125 -1.551 283 HG11 VAL 33 1HG1 VAL 33 3.271 1.465 -3.570 284 HG12 VAL 33 2HG1 VAL 33 4.857 2.194 -3.834 285 HG13 VAL 33 3HG1 VAL 33 3.446 3.223 -3.595 286 HG21 VAL 33 3HG2 VAL 33 2.399 3.456 -1.298 287 HG22 VAL 33 1HG2 VAL 33 3.074 2.583 0.081 288 HG23 VAL 33 2HG2 VAL 33 2.168 1.711 -1.159 289 H MET 34 H MET 34 5.913 -0.996 -2.521 290 HA MET 34 HA MET 34 8.637 -0.253 -2.735 291 HB2 MET 34 2HB MET 34 7.025 -2.275 -4.361 292 HB3 MET 34 1HB MET 34 8.781 -2.143 -4.380 293 HG2 MET 34 2HG MET 34 7.203 -2.799 -1.877 294 HG3 MET 34 1HG MET 34 7.829 -4.020 -2.978 295 HE1 MET 34 3HE MET 34 10.243 -1.680 0.152 296 HE2 MET 34 1HE MET 34 8.516 -2.035 0.183 297 HE3 MET 34 2HE MET 34 9.144 -0.799 -0.908 298 H TRP 35 H TRP 35 9.805 0.325 -4.605 299 HA TRP 35 HA TRP 35 8.537 2.244 -6.362 300 HB2 TRP 35 2HB TRP 35 10.917 2.551 -7.228 301 HB3 TRP 35 1HB TRP 35 10.677 2.883 -5.519 302 HD1 TRP 35 HD1 TRP 35 12.508 0.442 -7.854 303 HE1 TRP 35 HE1 TRP 35 14.204 -0.901 -6.458 304 HE3 TRP 35 HE3 TRP 35 11.073 1.914 -3.159 305 HZ2 TRP 35 HZ2 TRP 35 14.841 -1.296 -3.744 306 HZ3 TRP 35 HZ3 TRP 35 12.279 1.002 -1.212 307 HH2 TRP 35 HH2 TRP 35 14.129 -0.573 -1.504 308 H LYS 36 H LYS 36 8.832 -1.044 -6.495 309 HA LYS 36 HA LYS 36 9.201 -1.315 -9.378 310 HB2 LYS 36 2HB LYS 36 8.620 -3.423 -7.239 311 HB3 LYS 36 1HB LYS 36 9.047 -3.745 -8.925 312 HG2 LYS 36 2HG LYS 36 11.243 -2.657 -8.575 313 HG3 LYS 36 1HG LYS 36 10.821 -2.352 -6.884 314 HD2 LYS 36 2HD LYS 36 10.732 -4.763 -6.443 315 HD3 LYS 36 1HD LYS 36 11.034 -5.118 -8.147 316 HE2 LYS 36 2HE LYS 36 13.253 -3.965 -7.930 317 HE3 LYS 36 1HE LYS 36 12.940 -3.774 -6.204 318 HZ1 LYS 36 3HZ LYS 36 13.162 -6.355 -7.659 319 HZ2 LYS 36 1HZ LYS 36 12.843 -6.177 -6.004 320 HZ3 LYS 36 2HZ LYS 36 14.331 -5.678 -6.636 321 H TYR 37 H TYR 37 7.578 -1.679 -10.778 322 HA TYR 37 HA TYR 37 4.786 -1.839 -9.843 323 HB2 TYR 37 2HB TYR 37 4.249 -0.105 -11.695 324 HB3 TYR 37 1HB TYR 37 4.927 0.496 -10.201 325 HD1 TYR 37 HD2 TYR 37 5.583 -0.010 -13.792 326 HD2 TYR 37 HD1 TYR 37 7.195 1.447 -10.138 327 HE1 TYR 37 HE2 TYR 37 7.322 1.197 -15.042 328 HE2 TYR 37 HE1 TYR 37 8.931 2.656 -11.368 329 HH TYR 37 HH TYR 37 8.801 3.210 -14.670 330 H LEU 38 H LEU 38 3.272 -2.498 -11.594 331 HA LEU 38 HA LEU 38 4.244 -4.898 -12.760 332 HB2 LEU 38 2HB LEU 38 1.911 -4.614 -11.923 333 HB3 LEU 38 1HB LEU 38 1.581 -3.504 -13.244 334 HG LEU 38 HG LEU 38 2.030 -5.408 -14.867 335 HD11 LEU 38 1HD1 LEU 38 3.405 -6.833 -13.445 336 HD12 LEU 38 2HD1 LEU 38 2.013 -7.716 -14.063 337 HD13 LEU 38 3HD1 LEU 38 2.023 -7.149 -12.389 338 HD21 LEU 38 3HD2 LEU 38 -0.237 -5.891 -12.921 339 HD22 LEU 38 1HD2 LEU 38 -0.116 -6.522 -14.567 340 HD23 LEU 38 2HD2 LEU 38 -0.258 -4.788 -14.300 341 H GLU 39 H GLU 39 4.121 -1.680 -14.008 342 HA GLU 39 HA GLU 39 4.050 -2.313 -16.803 343 HB2 GLU 39 2HB GLU 39 4.922 0.246 -15.407 344 HB3 GLU 39 1HB GLU 39 4.703 0.079 -17.137 345 HG2 GLU 39 2HG GLU 39 2.722 1.098 -16.526 346 HG3 GLU 39 1HG GLU 39 2.248 -0.591 -16.533 347 H GLN 40 H GLN 40 6.522 -2.344 -14.387 348 HA GLN 40 HA GLN 40 8.826 -2.375 -16.074 349 HB2 GLN 40 2HB GLN 40 8.318 -3.406 -13.261 350 HB3 GLN 40 1HB GLN 40 9.849 -3.720 -14.069 351 HG2 GLN 40 2HG GLN 40 8.726 -0.956 -13.525 352 HG3 GLN 40 1HG GLN 40 9.905 -1.782 -12.504 353 HE21 GLN 40 1HE2 GLN 40 10.214 0.747 -13.941 354 HE22 GLN 40 2HE2 GLN 40 11.553 0.559 -15.005 355 H ALA 41 H ALA 41 9.777 -4.031 -17.142 356 HA ALA 41 HA ALA 41 8.253 -6.257 -18.016 357 HB1 ALA 41 3HB ALA 41 9.971 -5.171 -19.425 358 HB2 ALA 41 1HB ALA 41 10.285 -6.901 -19.267 359 HB3 ALA 41 2HB ALA 41 11.238 -5.741 -18.337 360 H SER 42 H SER 42 10.746 -5.889 -15.558 361 HA SER 42 HA SER 42 10.935 -8.788 -15.051 362 HB2 SER 42 2HB SER 42 12.629 -6.464 -14.031 363 HB3 SER 42 1HB SER 42 12.939 -8.173 -13.706 364 HG SER 42 HG SER 42 12.799 -7.050 -16.305 365 H PHE 43 H PHE 43 8.484 -7.536 -14.257 366 HA PHE 43 HA PHE 43 8.574 -7.115 -11.402 367 HB2 PHE 43 2HB PHE 43 6.924 -5.996 -13.060 368 HB3 PHE 43 1HB PHE 43 6.054 -7.528 -13.063 369 HD1 PHE 43 HD1 PHE 43 7.488 -5.045 -10.632 370 HD2 PHE 43 HD2 PHE 43 4.303 -7.770 -11.473 371 HE1 PHE 43 HE1 PHE 43 6.340 -4.346 -8.590 372 HE2 PHE 43 HE2 PHE 43 3.165 -7.053 -9.430 373 HZ PHE 43 HZ PHE 43 4.174 -5.339 -7.980 374 HA PRO 44 HA PRO 44 8.586 -11.510 -10.458 375 HB2 PRO 44 2HB PRO 44 8.088 -11.449 -7.760 376 HB3 PRO 44 1HB PRO 44 9.604 -10.832 -8.460 377 HG2 PRO 44 2HG PRO 44 7.134 -9.281 -7.672 378 HG3 PRO 44 1HG PRO 44 8.838 -8.956 -7.266 379 HD2 PRO 44 2HD PRO 44 7.619 -7.655 -9.297 380 HD3 PRO 44 1HD PRO 44 9.333 -8.115 -9.398 381 H MET 45 H MET 45 5.677 -9.735 -10.328 382 HA MET 45 HA MET 45 4.070 -12.213 -10.022 383 HB2 MET 45 2HB MET 45 3.307 -9.373 -9.187 384 HB3 MET 45 1HB MET 45 2.180 -10.724 -9.225 385 HG2 MET 45 2HG MET 45 3.491 -11.884 -7.505 386 HG3 MET 45 1HG MET 45 4.651 -10.555 -7.474 387 HE1 MET 45 3HE MET 45 2.624 -7.656 -5.876 388 HE2 MET 45 1HE MET 45 2.851 -7.942 -7.601 389 HE3 MET 45 2HE MET 45 4.190 -8.199 -6.480 390 H ASN 46 H ASN 46 2.528 -12.600 -11.554 391 HA ASN 46 HA ASN 46 2.506 -11.082 -14.021 392 HB2 ASN 46 2HB ASN 46 0.923 -13.509 -13.067 393 HB3 ASN 46 1HB ASN 46 0.633 -12.748 -14.630 394 HD21 ASN 46 1HD2 ASN 46 2.922 -14.615 -12.737 395 HD22 ASN 46 2HD2 ASN 46 3.922 -15.079 -14.063 396 H GLU 47 H GLU 47 0.081 -10.727 -14.923 397 HA GLU 47 HA GLU 47 -0.673 -8.310 -13.731 398 HB2 GLU 47 2HB GLU 47 -2.177 -10.028 -15.742 399 HB3 GLU 47 1HB GLU 47 -2.556 -8.342 -15.380 400 HG2 GLU 47 2HG GLU 47 -0.352 -7.647 -16.226 401 HG3 GLU 47 1HG GLU 47 0.074 -9.331 -16.541 402 H THR 48 H THR 48 -2.347 -11.472 -13.671 403 HA THR 48 HA THR 48 -4.562 -10.594 -12.098 404 HB THR 48 HB THR 48 -3.603 -13.470 -12.481 405 HG1 THR 48 HG1 THR 48 -5.034 -11.710 -14.155 406 HG21 THR 48 3HG2 THR 48 -6.376 -12.350 -11.892 407 HG22 THR 48 1HG2 THR 48 -5.352 -13.185 -10.720 408 HG23 THR 48 2HG2 THR 48 -5.981 -14.054 -12.124 409 H GLU 49 H GLU 49 -1.541 -12.367 -11.353 410 HA GLU 49 HA GLU 49 -2.045 -13.022 -8.657 411 HB2 GLU 49 2HB GLU 49 0.687 -12.512 -9.924 412 HB3 GLU 49 1HB GLU 49 0.370 -13.421 -8.442 413 HG2 GLU 49 2HG GLU 49 -0.945 -15.056 -9.808 414 HG3 GLU 49 1HG GLU 49 -0.424 -14.204 -11.265 415 H TYR 50 H TYR 50 -0.528 -10.219 -10.140 416 HA TYR 50 HA TYR 50 0.329 -8.813 -7.870 417 HB2 TYR 50 2HB TYR 50 1.229 -8.074 -9.959 418 HB3 TYR 50 1HB TYR 50 -0.359 -7.975 -10.711 419 HD1 TYR 50 HD1 TYR 50 1.578 -6.411 -7.874 420 HD2 TYR 50 HD2 TYR 50 -1.314 -5.845 -10.975 421 HE1 TYR 50 HE1 TYR 50 1.390 -4.046 -7.265 422 HE2 TYR 50 HE2 TYR 50 -1.490 -3.481 -10.372 423 HH TYR 50 HH TYR 50 0.638 -1.985 -8.112 424 H GLN 51 H GLN 51 -2.777 -8.852 -9.599 425 HA GLN 51 HA GLN 51 -3.946 -6.697 -8.110 426 HB2 GLN 51 2HB GLN 51 -4.634 -7.307 -10.446 427 HB3 GLN 51 1HB GLN 51 -5.328 -8.803 -9.832 428 HG2 GLN 51 2HG GLN 51 -7.050 -7.078 -10.207 429 HG3 GLN 51 1HG GLN 51 -6.963 -7.552 -8.509 430 HE21 GLN 51 1HE2 GLN 51 -7.826 -5.628 -7.723 431 HE22 GLN 51 2HE2 GLN 51 -7.007 -4.109 -7.810 432 H GLU 52 H GLU 52 -4.058 -10.233 -7.896 433 HA GLU 52 HA GLU 52 -5.940 -10.487 -5.782 434 HB2 GLU 52 2HB GLU 52 -3.680 -12.374 -6.615 435 HB3 GLU 52 1HB GLU 52 -4.991 -12.797 -5.510 436 HG2 GLU 52 2HG GLU 52 -6.632 -12.528 -7.305 437 HG3 GLU 52 1HG GLU 52 -5.370 -11.997 -8.416 438 H HIS 53 H HIS 53 -2.476 -9.933 -5.927 439 HA HIS 53 HA HIS 53 -1.800 -10.200 -3.187 440 HB2 HIS 53 2HB HIS 53 -0.000 -10.209 -4.813 441 HB3 HIS 53 1HB HIS 53 -0.498 -8.663 -5.480 442 HD1 HIS 53 HD1 HIS 53 1.218 -10.149 -2.479 443 HD2 HIS 53 HD2 HIS 53 0.575 -6.428 -4.207 444 HE1 HIS 53 HE1 HIS 53 2.712 -8.563 -1.239 445 HE2 HIS 53 HE2 HIS 53 2.480 -6.389 -2.477 446 H LEU 54 H LEU 54 -2.742 -7.378 -5.200 447 HA LEU 54 HA LEU 54 -2.597 -5.364 -3.238 448 HB2 LEU 54 2HB LEU 54 -4.464 -5.567 -5.629 449 HB3 LEU 54 1HB LEU 54 -4.259 -4.112 -4.657 450 HG LEU 54 HG LEU 54 -2.125 -5.419 -6.380 451 HD11 LEU 54 1HD1 LEU 54 -2.377 -3.421 -7.776 452 HD12 LEU 54 2HD1 LEU 54 -3.707 -2.871 -6.758 453 HD13 LEU 54 3HD1 LEU 54 -3.861 -4.363 -7.693 454 HD21 LEU 54 3HD2 LEU 54 -1.976 -2.862 -4.734 455 HD22 LEU 54 1HD2 LEU 54 -0.752 -3.424 -5.881 456 HD23 LEU 54 2HD2 LEU 54 -1.086 -4.357 -4.427 457 H ASP 55 H ASP 55 -5.213 -7.554 -4.143 458 HA ASP 55 HA ASP 55 -7.215 -6.306 -2.513 459 HB2 ASP 55 2HB ASP 55 -7.625 -7.588 -4.704 460 HB3 ASP 55 1HB ASP 55 -7.359 -9.077 -3.794 461 H SER 56 H SER 56 -4.903 -8.900 -2.105 462 HA SER 56 HA SER 56 -5.964 -9.986 0.322 463 HB2 SER 56 2HB SER 56 -4.350 -11.197 -1.205 464 HB3 SER 56 1HB SER 56 -3.074 -10.105 -0.663 465 HG SER 56 HG SER 56 -4.557 -11.968 0.862 466 H VAL 57 H VAL 57 -3.486 -7.569 -0.458 467 HA VAL 57 HA VAL 57 -2.715 -6.778 2.131 468 HB VAL 57 HB VAL 57 -2.719 -5.302 -0.550 469 HG11 VAL 57 1HG1 VAL 57 -1.556 -4.266 2.067 470 HG12 VAL 57 2HG1 VAL 57 -2.900 -3.559 1.174 471 HG13 VAL 57 3HG1 VAL 57 -1.281 -3.545 0.478 472 HG21 VAL 57 3HG2 VAL 57 -1.125 -7.184 -0.346 473 HG22 VAL 57 1HG2 VAL 57 -0.440 -6.467 1.115 474 HG23 VAL 57 2HG2 VAL 57 -0.258 -5.651 -0.442 475 H ALA 58 H ALA 58 -5.262 -5.630 -0.032 476 HA ALA 58 HA ALA 58 -6.196 -3.447 1.502 477 HB1 ALA 58 3HB ALA 58 -7.616 -5.022 -0.667 478 HB2 ALA 58 1HB ALA 58 -6.560 -3.628 -0.921 479 HB3 ALA 58 2HB ALA 58 -8.090 -3.430 -0.063 480 H ASN 59 H ASN 59 -6.963 -6.863 1.458 481 HA ASN 59 HA ASN 59 -9.335 -6.924 2.975 482 HB2 ASN 59 2HB ASN 59 -8.420 -8.894 1.739 483 HB3 ASN 59 1HB ASN 59 -7.080 -8.986 2.874 484 HD21 ASN 59 1HD2 ASN 59 -7.534 -11.001 3.697 485 HD22 ASN 59 2HD2 ASN 59 -8.968 -11.393 4.574 486 H TYR 60 H TYR 60 -5.892 -7.023 3.926 487 HA TYR 60 HA TYR 60 -6.307 -7.115 6.750 488 HB2 TYR 60 2HB TYR 60 -3.877 -6.369 5.081 489 HB3 TYR 60 1HB TYR 60 -3.845 -6.375 6.844 490 HD1 TYR 60 HD1 TYR 60 -4.879 -8.603 7.904 491 HD2 TYR 60 HD2 TYR 60 -3.062 -8.338 4.045 492 HE1 TYR 60 HE1 TYR 60 -4.412 -10.987 7.977 493 HE2 TYR 60 HE2 TYR 60 -2.588 -10.748 4.101 494 HH TYR 60 HH TYR 60 -4.016 -12.846 6.311 495 H LEU 61 H LEU 61 -5.753 -4.475 4.440 496 HA LEU 61 HA LEU 61 -5.499 -2.348 6.256 497 HB2 LEU 61 2HB LEU 61 -6.631 -2.378 3.432 498 HB3 LEU 61 1HB LEU 61 -6.257 -0.914 4.323 499 HG LEU 61 HG LEU 61 -4.243 -3.011 3.436 500 HD11 LEU 61 1HD1 LEU 61 -4.673 -0.188 2.423 501 HD12 LEU 61 2HD1 LEU 61 -5.078 -1.681 1.567 502 HD13 LEU 61 3HD1 LEU 61 -3.394 -1.299 1.915 503 HD21 LEU 61 3HD2 LEU 61 -2.508 -1.449 4.247 504 HD22 LEU 61 1HD2 LEU 61 -3.527 -2.043 5.556 505 HD23 LEU 61 2HD2 LEU 61 -3.764 -0.409 4.927 506 H HIS 62 H HIS 62 -8.328 -3.940 4.902 507 HA HIS 62 HA HIS 62 -10.329 -2.225 6.015 508 HB2 HIS 62 2HB HIS 62 -10.756 -3.604 4.016 509 HB3 HIS 62 1HB HIS 62 -10.496 -5.073 4.946 510 HD1 HIS 62 HD1 HIS 62 -12.568 -6.143 5.783 511 HD2 HIS 62 HD2 HIS 62 -13.137 -2.087 5.082 512 HE1 HIS 62 HE1 HIS 62 -15.008 -5.721 6.179 513 HE2 HIS 62 HE2 HIS 62 -15.353 -3.307 5.563 514 H ALA 63 H ALA 63 -8.882 -5.329 6.957 515 HA ALA 63 HA ALA 63 -10.609 -5.994 9.098 516 HB1 ALA 63 3HB ALA 63 -7.743 -6.903 8.600 517 HB2 ALA 63 1HB ALA 63 -9.194 -7.650 7.922 518 HB3 ALA 63 2HB ALA 63 -8.912 -7.696 9.662 519 H LEU 64 H LEU 64 -7.531 -4.286 8.977 520 HA LEU 64 HA LEU 64 -7.274 -4.100 11.869 521 HB2 LEU 64 2HB LEU 64 -5.420 -3.069 9.684 522 HB3 LEU 64 1HB LEU 64 -5.037 -3.190 11.399 523 HG LEU 64 HG LEU 64 -5.552 -5.549 9.530 524 HD11 LEU 64 1HD1 LEU 64 -3.417 -4.481 9.028 525 HD12 LEU 64 2HD1 LEU 64 -3.183 -6.077 9.740 526 HD13 LEU 64 3HD1 LEU 64 -2.922 -4.626 10.719 527 HD21 LEU 64 3HD2 LEU 64 -4.728 -5.559 12.450 528 HD22 LEU 64 1HD2 LEU 64 -4.843 -6.975 11.397 529 HD23 LEU 64 2HD2 LEU 64 -6.291 -6.059 11.798 530 H GLY 65 H GLY 65 -8.406 -2.166 9.235 531 HA2 GLY 65 2HA GLY 65 -9.512 -0.125 9.307 532 HA3 GLY 65 1HA GLY 65 -8.975 0.120 10.964 533 H GLY 66 H GLY 66 -6.476 -0.811 8.826 534 HA2 GLY 66 2HA GLY 66 -5.162 1.781 9.032 535 HA3 GLY 66 1HA GLY 66 -4.478 0.292 8.398 536 H ALA 67 H ALA 67 -7.365 0.548 6.882 537 HA ALA 67 HA ALA 67 -6.296 1.154 4.332 538 HB1 ALA 67 3HB ALA 67 -9.192 1.048 5.227 539 HB2 ALA 67 1HB ALA 67 -8.235 -0.313 4.635 540 HB3 ALA 67 2HB ALA 67 -8.629 1.023 3.555 541 H VAL 68 H VAL 68 -8.332 3.016 6.572 542 HA VAL 68 HA VAL 68 -8.699 5.351 5.044 543 HB VAL 68 HB VAL 68 -8.444 5.185 8.098 544 HG11 VAL 68 1HG1 VAL 68 -9.892 7.198 8.134 545 HG12 VAL 68 2HG1 VAL 68 -9.892 7.236 6.368 546 HG13 VAL 68 3HG1 VAL 68 -8.391 7.506 7.257 547 HG21 VAL 68 3HG2 VAL 68 -10.112 3.559 7.303 548 HG22 VAL 68 1HG2 VAL 68 -10.939 4.823 6.387 549 HG23 VAL 68 2HG2 VAL 68 -10.906 4.886 8.152 550 H GLN 69 H GLN 69 -6.111 4.292 7.211 551 HA GLN 69 HA GLN 69 -4.621 6.681 7.363 552 HB2 GLN 69 2HB GLN 69 -3.583 3.829 7.663 553 HB3 GLN 69 1HB GLN 69 -2.799 5.289 8.268 554 HG2 GLN 69 2HG GLN 69 -5.523 4.296 9.189 555 HG3 GLN 69 1HG GLN 69 -4.010 3.935 10.015 556 HE21 GLN 69 1HE2 GLN 69 -4.801 4.911 11.905 557 HE22 GLN 69 2HE2 GLN 69 -4.867 6.621 12.103 558 H VAL 70 H VAL 70 -4.514 3.974 5.065 559 HA VAL 70 HA VAL 70 -2.255 4.854 3.534 560 HB VAL 70 HB VAL 70 -4.567 3.023 2.710 561 HG11 VAL 70 1HG1 VAL 70 -1.838 3.377 1.397 562 HG12 VAL 70 2HG1 VAL 70 -3.387 3.875 0.718 563 HG13 VAL 70 3HG1 VAL 70 -3.040 2.162 0.947 564 HG21 VAL 70 3HG2 VAL 70 -1.811 2.315 3.801 565 HG22 VAL 70 1HG2 VAL 70 -3.030 1.159 3.253 566 HG23 VAL 70 2HG2 VAL 70 -3.341 2.163 4.669 567 H LYS 71 H LYS 71 -5.771 5.218 3.174 568 HA LYS 71 HA LYS 71 -5.722 6.666 0.715 569 HB2 LYS 71 2HB LYS 71 -7.899 6.225 2.793 570 HB3 LYS 71 1HB LYS 71 -8.173 7.110 1.293 571 HG2 LYS 71 2HG LYS 71 -7.525 5.097 -0.001 572 HG3 LYS 71 1HG LYS 71 -7.297 4.210 1.505 573 HD2 LYS 71 2HD LYS 71 -9.462 3.637 0.540 574 HD3 LYS 71 1HD LYS 71 -9.713 4.537 2.039 575 HE2 LYS 71 2HE LYS 71 -10.167 6.585 0.739 576 HE3 LYS 71 1HE LYS 71 -9.862 5.712 -0.761 577 HZ1 LYS 71 3HZ LYS 71 -12.035 5.101 1.156 578 HZ2 LYS 71 1HZ LYS 71 -11.763 4.323 -0.317 579 HZ3 LYS 71 2HZ LYS 71 -12.217 5.951 -0.289 580 H THR 72 H THR 72 -5.276 7.623 3.988 581 HA THR 72 HA THR 72 -5.789 10.459 3.497 582 HB THR 72 HB THR 72 -4.741 9.029 5.984 583 HG1 THR 72 HG1 THR 72 -7.076 8.831 5.061 584 HG21 THR 72 3HG2 THR 72 -5.310 11.086 7.217 585 HG22 THR 72 1HG2 THR 72 -5.787 11.867 5.706 586 HG23 THR 72 2HG2 THR 72 -4.101 11.425 5.974 587 H PHE 73 H PHE 73 -3.079 8.209 3.999 588 HA PHE 73 HA PHE 73 -1.050 10.187 4.262 589 HB2 PHE 73 2HB PHE 73 -0.866 7.824 5.121 590 HB3 PHE 73 1HB PHE 73 -0.715 7.263 3.462 591 HD1 PHE 73 HD2 PHE 73 0.950 9.149 6.176 592 HD2 PHE 73 HD1 PHE 73 1.409 7.531 2.237 593 HE1 PHE 73 HE2 PHE 73 3.377 9.522 6.293 594 HE2 PHE 73 HE1 PHE 73 3.827 7.919 2.380 595 HZ PHE 73 HZ PHE 73 4.812 8.908 4.390 596 H ILE 74 H ILE 74 -1.731 7.900 1.562 597 HA ILE 74 HA ILE 74 0.225 8.873 -0.192 598 HB ILE 74 HB ILE 74 -2.309 7.293 -0.805 599 HG12 ILE 74 2HG1 ILE 74 0.614 6.469 -0.476 600 HG13 ILE 74 1HG1 ILE 74 -0.732 6.048 0.578 601 HG21 ILE 74 1HG2 ILE 74 -1.355 6.758 -3.032 602 HG22 ILE 74 2HG2 ILE 74 -0.015 7.867 -2.730 603 HG23 ILE 74 3HG2 ILE 74 -1.662 8.484 -2.861 604 HD11 ILE 74 3HD1 ILE 74 -0.068 4.159 -0.768 605 HD12 ILE 74 1HD1 ILE 74 -0.304 5.077 -2.254 606 HD13 ILE 74 2HD1 ILE 74 -1.687 4.674 -1.231 607 H THR 75 H THR 75 -3.246 9.703 0.028 608 HA THR 75 HA THR 75 -3.394 11.209 -2.346 609 HB THR 75 HB THR 75 -5.146 11.478 0.141 610 HG1 THR 75 HG1 THR 75 -6.022 9.653 -0.495 611 HG21 THR 75 3HG2 THR 75 -6.890 12.234 -1.455 612 HG22 THR 75 1HG2 THR 75 -5.725 12.165 -2.777 613 HG23 THR 75 2HG2 THR 75 -5.512 13.335 -1.470 614 H GLN 76 H GLN 76 -2.588 12.184 0.997 615 HA GLN 76 HA GLN 76 -2.518 15.025 0.342 616 HB2 GLN 76 2HB GLN 76 -1.678 13.612 2.905 617 HB3 GLN 76 1HB GLN 76 -1.822 15.359 2.696 618 HG2 GLN 76 2HG GLN 76 -4.264 15.040 2.251 619 HG3 GLN 76 1HG GLN 76 -4.080 13.327 2.634 620 HE21 GLN 76 1HE2 GLN 76 -3.361 12.785 4.787 621 HE22 GLN 76 2HE2 GLN 76 -3.723 13.827 6.114 622 H THR 77 H THR 77 -0.133 12.418 0.788 623 HA THR 77 HA THR 77 2.104 14.169 1.194 624 HB THR 77 HB THR 77 2.039 11.803 2.111 625 HG1 THR 77 HG1 THR 77 4.211 11.701 2.019 626 HG21 THR 77 3HG2 THR 77 2.769 10.979 -0.733 627 HG22 THR 77 1HG2 THR 77 1.242 10.594 0.070 628 HG23 THR 77 2HG2 THR 77 2.753 9.923 0.682 629 H LYS 78 H LYS 78 3.955 14.370 -0.221 630 HA LYS 78 HA LYS 78 3.290 14.308 -3.113 631 HB2 LYS 78 2HB LYS 78 5.345 15.991 -1.619 632 HB3 LYS 78 1HB LYS 78 5.055 16.054 -3.359 633 HG2 LYS 78 2HG LYS 78 2.770 16.885 -2.963 634 HG3 LYS 78 1HG LYS 78 3.009 16.770 -1.218 635 HD2 LYS 78 2HD LYS 78 3.260 19.091 -1.946 636 HD3 LYS 78 1HD LYS 78 4.806 18.478 -1.355 637 HE2 LYS 78 2HE LYS 78 5.110 19.822 -3.391 638 HE3 LYS 78 1HE LYS 78 5.559 18.144 -3.692 639 HZ1 LYS 78 3HZ LYS 78 4.245 19.097 -5.493 640 HZ2 LYS 78 1HZ LYS 78 2.956 19.373 -4.435 641 HZ3 LYS 78 2HZ LYS 78 3.448 17.792 -4.779 642 H GLU 79 H GLU 79 4.780 12.431 -0.926 643 HA GLU 79 HA GLU 79 7.316 11.792 -1.983 644 HB2 GLU 79 2HB GLU 79 5.309 10.099 -0.433 645 HB3 GLU 79 1HB GLU 79 6.934 9.537 -0.817 646 HG2 GLU 79 2HG GLU 79 7.913 11.287 0.548 647 HG3 GLU 79 1HG GLU 79 6.322 12.004 0.837 648 H ARG 80 H ARG 80 7.962 10.507 -3.583 649 HA ARG 80 HA ARG 80 6.081 8.645 -4.892 650 HB2 ARG 80 2HB ARG 80 8.442 10.153 -6.109 651 HB3 ARG 80 1HB ARG 80 7.684 8.759 -6.886 652 HG2 ARG 80 2HG ARG 80 5.507 10.034 -6.802 653 HG3 ARG 80 1HG ARG 80 6.417 11.450 -6.297 654 HD2 ARG 80 2HD ARG 80 7.580 11.538 -8.381 655 HD3 ARG 80 1HD ARG 80 7.039 9.920 -8.837 656 HE ARG 80 HE ARG 80 5.101 12.125 -8.506 657 HH11 ARG 80 1HH1 ARG 80 6.545 9.686 -10.615 658 HH12 ARG 80 2HH1 ARG 80 5.384 9.929 -11.876 659 HH21 ARG 80 1HH2 ARG 80 3.578 12.367 -10.154 660 HH22 ARG 80 2HH2 ARG 80 3.703 11.443 -11.616 661 HA PRO 81 HA PRO 81 8.911 5.520 -3.305 662 HB2 PRO 81 2HB PRO 81 8.122 3.404 -4.922 663 HB3 PRO 81 1HB PRO 81 7.247 3.915 -3.469 664 HG2 PRO 81 2HG PRO 81 6.642 4.488 -6.334 665 HG3 PRO 81 1HG PRO 81 5.528 4.158 -4.991 666 HD2 PRO 81 2HD PRO 81 6.008 6.680 -5.962 667 HD3 PRO 81 1HD PRO 81 5.531 6.363 -4.280 668 H ARG 82 H ARG 82 10.946 5.508 -3.801 669 HA ARG 82 HA ARG 82 11.986 5.623 -6.563 670 HB2 ARG 82 2HB ARG 82 12.087 7.843 -5.517 671 HB3 ARG 82 1HB ARG 82 12.824 7.165 -4.069 672 HG2 ARG 82 2HG ARG 82 14.857 6.588 -5.415 673 HG3 ARG 82 1HG ARG 82 14.108 7.362 -6.817 674 HD2 ARG 82 2HD ARG 82 14.089 9.503 -5.681 675 HD3 ARG 82 1HD ARG 82 14.676 8.759 -4.189 676 HE ARG 82 HE ARG 82 16.554 8.213 -6.161 677 HH11 ARG 82 1HH1 ARG 82 15.251 11.061 -4.565 678 HH12 ARG 82 2HH1 ARG 82 16.709 11.980 -4.743 679 HH21 ARG 82 1HH2 ARG 82 18.472 9.426 -6.368 680 HH22 ARG 82 2HH2 ARG 82 18.535 11.050 -5.766 681 H LEU 83 H LEU 83 14.132 4.693 -6.793 682 HA LEU 83 HA LEU 83 14.626 2.254 -5.525 683 HB2 LEU 83 2HB LEU 83 15.511 2.863 -7.734 684 HB3 LEU 83 1HB LEU 83 16.534 4.090 -7.013 685 HG LEU 83 HG LEU 83 17.851 2.300 -5.863 686 HD11 LEU 83 1HD1 LEU 83 17.566 -0.053 -6.514 687 HD12 LEU 83 2HD1 LEU 83 16.117 0.375 -7.431 688 HD13 LEU 83 3HD1 LEU 83 16.147 0.575 -5.677 689 HD21 LEU 83 3HD2 LEU 83 17.682 1.966 -8.881 690 HD22 LEU 83 1HD2 LEU 83 19.031 1.475 -7.850 691 HD23 LEU 83 2HD2 LEU 83 18.631 3.181 -8.016 692 H GLY 84 H GLY 84 14.771 2.231 -3.348 693 HA2 GLY 84 2HA GLY 84 16.386 2.095 -1.549 694 HA3 GLY 84 1HA GLY 84 16.995 3.676 -2.008 695 H LYS 85 H LYS 85 14.169 4.653 -2.406 696 HA LYS 85 HA LYS 85 13.415 5.045 0.441 697 HB2 LYS 85 2HB LYS 85 14.238 7.039 -1.118 698 HB3 LYS 85 1HB LYS 85 12.611 6.958 -1.781 699 HG2 LYS 85 2HG LYS 85 13.307 7.430 1.144 700 HG3 LYS 85 1HG LYS 85 12.897 8.696 -0.010 701 HD2 LYS 85 2HD LYS 85 10.604 7.806 -0.213 702 HD3 LYS 85 1HD LYS 85 11.013 6.441 0.829 703 HE2 LYS 85 2HE LYS 85 11.479 8.088 2.678 704 HE3 LYS 85 1HE LYS 85 10.850 9.363 1.629 705 HZ1 LYS 85 3HZ LYS 85 8.732 8.231 1.568 706 HZ2 LYS 85 1HZ LYS 85 9.186 8.511 3.172 707 HZ3 LYS 85 2HZ LYS 85 9.339 6.962 2.512 708 H ALA 86 H ALA 86 11.879 3.499 0.737 709 HA ALA 86 HA ALA 86 9.639 3.169 -1.135 710 HB1 ALA 86 3HB ALA 86 10.158 1.797 1.534 711 HB2 ALA 86 1HB ALA 86 10.554 1.138 -0.056 712 HB3 ALA 86 2HB ALA 86 8.868 1.397 0.397 713 H VAL 87 H VAL 87 7.537 3.816 -0.668 714 HA VAL 87 HA VAL 87 7.160 5.908 1.315 715 HB VAL 87 HB VAL 87 5.145 4.599 -0.589 716 HG11 VAL 87 1HG1 VAL 87 4.868 7.185 0.992 717 HG12 VAL 87 2HG1 VAL 87 4.003 5.679 1.310 718 HG13 VAL 87 3HG1 VAL 87 3.708 6.562 -0.188 719 HG21 VAL 87 3HG2 VAL 87 6.683 7.215 -0.917 720 HG22 VAL 87 1HG2 VAL 87 5.435 6.608 -2.012 721 HG23 VAL 87 2HG2 VAL 87 6.952 5.729 -1.833 722 H SER 88 H SER 88 7.518 4.850 3.257 723 HA SER 88 HA SER 88 6.110 2.401 3.966 724 HB2 SER 88 2HB SER 88 8.509 2.737 4.593 725 HB3 SER 88 1HB SER 88 8.038 4.086 5.626 726 HG SER 88 HG SER 88 6.738 2.561 6.796 727 H ILE 89 H ILE 89 4.007 3.077 3.954 728 HA ILE 89 HA ILE 89 2.952 5.375 5.220 729 HB ILE 89 HB ILE 89 1.522 2.794 4.439 730 HG12 ILE 89 2HG1 ILE 89 1.854 5.358 2.806 731 HG13 ILE 89 1HG1 ILE 89 2.796 3.890 2.563 732 HG21 ILE 89 1HG2 ILE 89 0.146 4.150 5.967 733 HG22 ILE 89 2HG2 ILE 89 -0.540 4.160 4.345 734 HG23 ILE 89 3HG2 ILE 89 0.350 5.568 4.930 735 HD11 ILE 89 3HD1 ILE 89 0.756 2.679 1.992 736 HD12 ILE 89 1HD1 ILE 89 1.031 4.070 0.942 737 HD13 ILE 89 2HD1 ILE 89 -0.182 4.161 2.218 738 HA PRO 90 HA PRO 90 3.037 3.563 9.452 739 HB2 PRO 90 2HB PRO 90 2.152 5.834 10.759 740 HB3 PRO 90 1HB PRO 90 3.845 5.598 10.272 741 HG2 PRO 90 2HG PRO 90 1.690 7.189 8.903 742 HG3 PRO 90 1HG PRO 90 3.401 7.604 9.167 743 HD2 PRO 90 2HD PRO 90 2.490 6.654 6.780 744 HD3 PRO 90 1HD PRO 90 4.134 6.314 7.367 745 H LEU 91 H LEU 91 1.397 2.135 9.646 746 HA LEU 91 HA LEU 91 -1.401 2.968 9.314 747 HB2 LEU 91 2HB LEU 91 -0.247 0.214 9.933 748 HB3 LEU 91 1HB LEU 91 -1.920 0.572 9.524 749 HG LEU 91 HG LEU 91 0.492 0.782 7.671 750 HD11 LEU 91 1HD1 LEU 91 -1.889 -1.088 7.627 751 HD12 LEU 91 2HD1 LEU 91 -0.232 -1.505 8.076 752 HD13 LEU 91 3HD1 LEU 91 -0.596 -1.021 6.421 753 HD21 LEU 91 3HD2 LEU 91 -2.411 1.482 7.090 754 HD22 LEU 91 1HD2 LEU 91 -1.120 1.379 5.886 755 HD23 LEU 91 2HD2 LEU 91 -1.048 2.603 7.148 756 H ASP 92 H ASP 92 -1.640 4.275 11.045 757 HA ASP 92 HA ASP 92 -1.106 3.579 13.767 758 HB2 ASP 92 2HB ASP 92 -1.293 5.931 13.330 759 HB3 ASP 92 1HB ASP 92 -2.807 5.742 12.458 760 H LEU 93 H LEU 93 -2.196 2.131 14.905 761 HA LEU 93 HA LEU 93 -5.066 1.638 14.356 762 HB2 LEU 93 2HB LEU 93 -3.044 -0.304 15.552 763 HB3 LEU 93 1HB LEU 93 -4.733 -0.644 15.194 764 HG LEU 93 HG LEU 93 -2.509 -0.150 13.164 765 HD11 LEU 93 1HD1 LEU 93 -2.908 -2.470 12.478 766 HD12 LEU 93 2HD1 LEU 93 -4.095 -2.659 13.773 767 HD13 LEU 93 3HD1 LEU 93 -2.397 -2.360 14.160 768 HD21 LEU 93 3HD2 LEU 93 -4.564 0.845 12.305 769 HD22 LEU 93 1HD2 LEU 93 -5.457 -0.645 12.632 770 HD23 LEU 93 2HD2 LEU 93 -4.184 -0.624 11.410 771 H GLY 94 H GLY 94 -3.615 3.661 16.039 772 HA2 GLY 94 2HA GLY 94 -4.006 3.083 18.793 773 HA3 GLY 94 1HA GLY 94 -3.839 4.677 18.070 774 H GLU 95 H GLU 95 -5.806 5.443 16.809 775 HA GLU 95 HA GLU 95 -8.210 5.206 18.405 776 HB2 GLU 95 2HB GLU 95 -9.163 6.824 16.782 777 HB3 GLU 95 1HB GLU 95 -7.609 7.361 17.410 778 HG2 GLU 95 2HG GLU 95 -6.507 6.616 15.322 779 HG3 GLU 95 1HG GLU 95 -8.062 6.085 14.688 780 H ARG 96 H ARG 96 -6.945 3.713 15.544 781 HA ARG 96 HA ARG 96 -9.433 3.135 14.239 782 HB2 ARG 96 2HB ARG 96 -6.664 1.990 13.679 783 HB3 ARG 96 1HB ARG 96 -8.059 1.895 12.602 784 HG2 ARG 96 2HG ARG 96 -6.632 4.445 13.450 785 HG3 ARG 96 1HG ARG 96 -6.474 3.639 11.886 786 HD2 ARG 96 2HD ARG 96 -8.795 4.101 11.353 787 HD3 ARG 96 1HD ARG 96 -9.086 4.755 12.970 788 HE ARG 96 HE ARG 96 -7.034 6.260 11.902 789 HH11 ARG 96 1HH1 ARG 96 -10.379 5.607 11.019 790 HH12 ARG 96 2HH1 ARG 96 -10.606 7.149 10.264 791 HH21 ARG 96 1HH2 ARG 96 -7.360 8.287 10.953 792 HH22 ARG 96 2HH2 ARG 96 -8.885 8.672 10.229 793 H ALA 97 H ALA 97 -7.282 1.296 16.377 794 HA ALA 97 HA ALA 97 -8.866 -1.154 16.034 795 HB1 ALA 97 3HB ALA 97 -6.411 -1.350 16.140 796 HB2 ALA 97 1HB ALA 97 -7.195 -2.238 17.452 797 HB3 ALA 97 2HB ALA 97 -6.428 -0.678 17.770 798 H SER 98 H SER 98 -8.292 1.385 18.452 799 HA SER 98 HA SER 98 -9.295 -0.007 20.683 800 HB2 SER 98 2HB SER 98 -9.017 2.981 20.208 801 HB3 SER 98 1HB SER 98 -9.403 2.257 21.772 802 HG SER 98 HG SER 98 -7.064 2.723 21.014 803 H GLU 99 H GLU 99 -11.061 1.280 18.087 804 HA GLU 99 HA GLU 99 -13.550 1.836 19.253 805 HB2 GLU 99 2HB GLU 99 -14.506 1.303 16.989 806 HB3 GLU 99 1HB GLU 99 -13.156 2.432 16.935 807 HG2 GLU 99 2HG GLU 99 -11.648 0.696 16.170 808 HG3 GLU 99 1HG GLU 99 -12.889 -0.539 16.378 809 H TRP 100 H TRP 100 -12.186 -1.315 18.074 810 HA TRP 100 HA TRP 100 -14.623 -2.724 18.871 811 HB2 TRP 100 2HB TRP 100 -13.675 -4.719 17.850 812 HB3 TRP 100 1HB TRP 100 -13.566 -3.369 16.742 813 HD1 TRP 100 HD1 TRP 100 -11.101 -2.553 16.043 814 HE1 TRP 100 HE1 TRP 100 -8.807 -3.690 16.174 815 HE3 TRP 100 HE3 TRP 100 -12.233 -6.283 19.352 816 HZ2 TRP 100 HZ2 TRP 100 -7.617 -5.875 17.493 817 HZ3 TRP 100 HZ3 TRP 100 -10.457 -7.865 19.996 818 HH2 TRP 100 HH2 TRP 100 -8.193 -7.664 19.084 819 H ILE 101 H ILE 101 -11.530 -2.021 20.228 820 HA ILE 101 HA ILE 101 -11.500 -3.955 22.315 821 HB ILE 101 HB ILE 101 -10.287 -1.177 22.024 822 HG12 ILE 101 2HG1 ILE 101 -8.116 -2.468 22.373 823 HG13 ILE 101 1HG1 ILE 101 -9.062 -3.950 22.432 824 HG21 ILE 101 1HG2 ILE 101 -10.931 -1.195 24.374 825 HG22 ILE 101 2HG2 ILE 101 -9.180 -1.342 24.241 826 HG23 ILE 101 3HG2 ILE 101 -10.158 -2.766 24.610 827 HD11 ILE 101 3HD1 ILE 101 -9.784 -3.547 20.122 828 HD12 ILE 101 1HD1 ILE 101 -8.034 -3.672 20.285 829 HD13 ILE 101 2HD1 ILE 101 -8.785 -2.092 20.085 830 H ILE 102 H ILE 102 -13.292 -1.014 21.749 831 HA ILE 102 HA ILE 102 -15.110 -0.064 22.635 832 HB ILE 102 HB ILE 102 -15.357 -2.632 24.271 833 HG12 ILE 102 2HG1 ILE 102 -15.602 -2.890 21.791 834 HG13 ILE 102 1HG1 ILE 102 -17.094 -3.278 22.639 835 HG21 ILE 102 1HG2 ILE 102 -17.407 -0.398 24.039 836 HG22 ILE 102 2HG2 ILE 102 -16.540 -0.877 25.498 837 HG23 ILE 102 3HG2 ILE 102 -17.712 -1.979 24.770 838 HD11 ILE 102 3HD1 ILE 102 -17.533 -2.023 20.621 839 HD12 ILE 102 1HD1 ILE 102 -16.498 -0.706 21.172 840 HD13 ILE 102 2HD1 ILE 102 -17.995 -1.078 22.034 841 H LEU 103 H LEU 103 -13.787 1.583 23.398 842 HA LEU 103 HA LEU 103 -12.730 1.601 26.099 843 HB2 LEU 103 2HB LEU 103 -13.029 3.888 24.103 844 HB3 LEU 103 1HB LEU 103 -12.108 3.942 25.601 845 HG LEU 103 HG LEU 103 -11.452 2.292 23.131 846 HD11 LEU 103 1HD1 LEU 103 -9.459 3.734 23.004 847 HD12 LEU 103 2HD1 LEU 103 -10.043 4.664 24.386 848 HD13 LEU 103 3HD1 LEU 103 -10.952 4.660 22.871 849 HD21 LEU 103 3HD2 LEU 103 -9.959 2.408 25.775 850 HD22 LEU 103 1HD2 LEU 103 -9.400 1.598 24.306 851 HD23 LEU 103 2HD2 LEU 103 -10.840 1.018 25.135 852 H GLU 104 H GLU 104 -14.077 1.824 27.778 853 HA GLU 104 HA GLU 104 -16.732 3.037 27.482 854 HB2 GLU 104 2HB GLU 104 -15.455 1.542 29.824 855 HB3 GLU 104 1HB GLU 104 -17.130 2.095 29.764 856 HG2 GLU 104 2HG GLU 104 -17.524 0.620 27.795 857 HG3 GLU 104 1HG GLU 104 -15.860 0.036 27.919 Start of MODEL 2 1 H1 MET 1 1H MET 1 -11.194 1.218 1.779 2 H2 MET 1 2H MET 1 -11.144 -0.442 2.083 3 H3 MET 1 3H MET 1 -12.355 0.197 1.101 4 HA MET 1 HA MET 1 -10.792 0.815 -0.554 5 HB2 MET 1 2HB MET 1 -8.913 1.310 0.963 6 HB3 MET 1 1HB MET 1 -8.749 -0.396 1.352 7 HG2 MET 1 2HG MET 1 -8.219 -0.802 -1.085 8 HG3 MET 1 1HG MET 1 -8.175 0.947 -1.295 9 HE1 MET 1 3HE MET 1 -6.381 2.526 -0.156 10 HE2 MET 1 1HE MET 1 -5.135 1.945 0.946 11 HE3 MET 1 2HE MET 1 -6.824 1.923 1.445 12 H THR 2 H THR 2 -11.381 -0.589 -2.111 13 HA THR 2 HA THR 2 -11.217 -3.498 -1.799 14 HB THR 2 HB THR 2 -12.113 -3.533 -4.141 15 HG1 THR 2 HG1 THR 2 -12.843 -1.097 -4.627 16 HG21 THR 2 3HG2 THR 2 -14.318 -2.516 -3.712 17 HG22 THR 2 1HG2 THR 2 -13.665 -1.657 -2.315 18 HG23 THR 2 2HG2 THR 2 -13.757 -3.423 -2.307 19 H GLY 3 H GLY 3 -10.018 -4.742 -3.585 20 HA2 GLY 3 2HA GLY 3 -7.320 -4.056 -3.955 21 HA3 GLY 3 1HA GLY 3 -8.212 -5.203 -4.943 22 H GLN 4 H GLN 4 -10.141 -3.225 -5.829 23 HA GLN 4 HA GLN 4 -8.923 -2.041 -8.091 24 HB2 GLN 4 2HB GLN 4 -11.261 -2.629 -8.179 25 HB3 GLN 4 1HB GLN 4 -11.632 -1.663 -6.755 26 HG2 GLN 4 2HG GLN 4 -11.275 0.397 -7.994 27 HG3 GLN 4 1HG GLN 4 -10.743 -0.498 -9.420 28 HE21 GLN 4 1HE2 GLN 4 -13.003 1.399 -9.076 29 HE22 GLN 4 2HE2 GLN 4 -14.416 0.532 -9.559 30 H GLU 5 H GLU 5 -10.235 -0.526 -5.082 31 HA GLU 5 HA GLU 5 -9.556 2.137 -5.657 32 HB2 GLU 5 2HB GLU 5 -9.934 0.694 -3.006 33 HB3 GLU 5 1HB GLU 5 -9.653 2.434 -3.090 34 HG2 GLU 5 2HG GLU 5 -11.712 2.754 -4.345 35 HG3 GLU 5 1HG GLU 5 -11.969 1.009 -4.432 36 H LEU 6 H LEU 6 -7.644 -0.390 -4.091 37 HA LEU 6 HA LEU 6 -5.555 1.162 -3.051 38 HB2 LEU 6 2HB LEU 6 -5.966 -1.186 -2.408 39 HB3 LEU 6 1HB LEU 6 -5.513 -1.723 -4.018 40 HG LEU 6 HG LEU 6 -3.175 -1.040 -3.641 41 HD11 LEU 6 1HD1 LEU 6 -3.507 0.912 -2.194 42 HD12 LEU 6 2HD1 LEU 6 -2.357 -0.218 -1.487 43 HD13 LEU 6 3HD1 LEU 6 -4.008 -0.137 -0.866 44 HD21 LEU 6 3HD2 LEU 6 -4.273 -2.742 -1.385 45 HD22 LEU 6 1HD2 LEU 6 -2.581 -2.668 -1.883 46 HD23 LEU 6 2HD2 LEU 6 -3.794 -3.295 -2.993 47 H ARG 7 H ARG 7 -5.698 -0.642 -6.158 48 HA ARG 7 HA ARG 7 -3.149 0.219 -7.082 49 HB2 ARG 7 2HB ARG 7 -3.760 -0.761 -9.230 50 HB3 ARG 7 1HB ARG 7 -4.235 -1.822 -7.920 51 HG2 ARG 7 2HG ARG 7 -6.570 -1.025 -8.136 52 HG3 ARG 7 1HG ARG 7 -6.082 -0.030 -9.509 53 HD2 ARG 7 2HD ARG 7 -6.027 -3.052 -9.326 54 HD3 ARG 7 1HD ARG 7 -7.111 -2.059 -10.304 55 HE ARG 7 HE ARG 7 -4.210 -1.944 -10.776 56 HH11 ARG 7 1HH1 ARG 7 -7.397 -2.871 -11.958 57 HH12 ARG 7 2HH1 ARG 7 -6.841 -3.135 -13.578 58 HH21 ARG 7 1HH2 ARG 7 -3.506 -2.300 -12.862 59 HH22 ARG 7 2HH2 ARG 7 -4.619 -2.808 -14.087 60 H GLN 8 H GLN 8 -6.454 1.456 -7.591 61 HA GLN 8 HA GLN 8 -5.829 3.303 -9.665 62 HB2 GLN 8 2HB GLN 8 -8.177 3.289 -7.717 63 HB3 GLN 8 1HB GLN 8 -8.069 4.299 -9.149 64 HG2 GLN 8 2HG GLN 8 -8.240 1.282 -9.087 65 HG3 GLN 8 1HG GLN 8 -9.515 2.394 -9.553 66 HE21 GLN 8 1HE2 GLN 8 -7.804 4.110 -11.191 67 HE22 GLN 8 2HE2 GLN 8 -7.418 3.192 -12.597 68 H LEU 9 H LEU 9 -5.766 3.457 -6.177 69 HA LEU 9 HA LEU 9 -5.450 6.242 -5.792 70 HB2 LEU 9 2HB LEU 9 -6.033 4.584 -4.012 71 HB3 LEU 9 1HB LEU 9 -4.412 3.918 -4.116 72 HG LEU 9 HG LEU 9 -3.479 6.075 -3.273 73 HD11 LEU 9 1HD1 LEU 9 -5.198 7.625 -4.081 74 HD12 LEU 9 2HD1 LEU 9 -4.940 7.811 -2.349 75 HD13 LEU 9 3HD1 LEU 9 -6.368 6.953 -2.939 76 HD21 LEU 9 3HD2 LEU 9 -4.224 5.838 -0.950 77 HD22 LEU 9 1HD2 LEU 9 -3.985 4.258 -1.698 78 HD23 LEU 9 2HD2 LEU 9 -5.619 4.889 -1.473 79 H LEU 10 H LEU 10 -3.187 3.631 -6.496 80 HA LEU 10 HA LEU 10 -0.764 5.190 -6.283 81 HB2 LEU 10 2HB LEU 10 -1.137 2.558 -7.765 82 HB3 LEU 10 1HB LEU 10 0.353 3.193 -7.083 83 HG LEU 10 HG LEU 10 -2.034 2.230 -5.460 84 HD11 LEU 10 1HD1 LEU 10 0.592 0.827 -5.988 85 HD12 LEU 10 2HD1 LEU 10 -0.992 0.370 -6.620 86 HD13 LEU 10 3HD1 LEU 10 -0.677 0.273 -4.889 87 HD21 LEU 10 3HD2 LEU 10 -0.769 3.936 -4.255 88 HD22 LEU 10 1HD2 LEU 10 0.726 3.029 -4.502 89 HD23 LEU 10 2HD2 LEU 10 -0.568 2.355 -3.506 90 H LEU 11 H LEU 11 -2.990 4.234 -8.835 91 HA LEU 11 HA LEU 11 -1.405 5.036 -11.090 92 HB2 LEU 11 2HB LEU 11 -4.332 4.286 -10.764 93 HB3 LEU 11 1HB LEU 11 -3.658 4.732 -12.323 94 HG LEU 11 HG LEU 11 -2.539 2.420 -10.690 95 HD11 LEU 11 1HD1 LEU 11 -3.863 0.875 -12.033 96 HD12 LEU 11 2HD1 LEU 11 -4.665 2.222 -12.846 97 HD13 LEU 11 3HD1 LEU 11 -4.913 1.956 -11.118 98 HD21 LEU 11 3HD2 LEU 11 -2.311 3.090 -13.646 99 HD22 LEU 11 1HD2 LEU 11 -1.607 1.685 -12.839 100 HD23 LEU 11 2HD2 LEU 11 -1.049 3.304 -12.426 101 H ASP 12 H ASP 12 -3.877 6.623 -9.118 102 HA ASP 12 HA ASP 12 -4.163 8.933 -10.851 103 HB2 ASP 12 2HB ASP 12 -5.059 8.445 -7.969 104 HB3 ASP 12 1HB ASP 12 -5.355 9.961 -8.818 105 H LYS 13 H LYS 13 -2.477 8.144 -7.853 106 HA LYS 13 HA LYS 13 -1.526 10.779 -7.321 107 HB2 LYS 13 2HB LYS 13 -1.898 9.078 -5.550 108 HB3 LYS 13 1HB LYS 13 -0.604 8.088 -6.220 109 HG2 LYS 13 2HG LYS 13 0.263 9.219 -4.303 110 HG3 LYS 13 1HG LYS 13 0.999 9.958 -5.726 111 HD2 LYS 13 2HD LYS 13 -0.645 11.827 -5.560 112 HD3 LYS 13 1HD LYS 13 -1.305 11.085 -4.097 113 HE2 LYS 13 2HE LYS 13 0.972 11.282 -3.051 114 HE3 LYS 13 1HE LYS 13 1.501 12.169 -4.483 115 HZ1 LYS 13 3HZ LYS 13 -0.273 13.799 -4.016 116 HZ2 LYS 13 1HZ LYS 13 0.883 13.708 -2.792 117 HZ3 LYS 13 2HZ LYS 13 -0.625 12.980 -2.582 118 H TRP 14 H TRP 14 0.136 7.810 -8.454 119 HA TRP 14 HA TRP 14 2.519 9.443 -9.139 120 HB2 TRP 14 2HB TRP 14 2.369 6.526 -8.271 121 HB3 TRP 14 1HB TRP 14 3.844 7.392 -8.700 122 HD1 TRP 14 HD1 TRP 14 3.836 9.934 -7.083 123 HE1 TRP 14 HE1 TRP 14 3.798 9.979 -4.512 124 HE3 TRP 14 HE3 TRP 14 1.874 5.302 -6.210 125 HZ2 TRP 14 HZ2 TRP 14 3.040 8.307 -2.397 126 HZ3 TRP 14 HZ3 TRP 14 1.536 4.604 -3.877 127 HH2 TRP 14 HH2 TRP 14 2.100 6.068 -2.011 128 H GLY 15 H GLY 15 0.094 7.461 -10.523 129 HA2 GLY 15 2HA GLY 15 -0.345 7.268 -12.804 130 HA3 GLY 15 1HA GLY 15 1.272 7.843 -13.167 131 H TYR 16 H TYR 16 1.356 5.329 -10.920 132 HA TYR 16 HA TYR 16 1.589 3.176 -12.917 133 HB2 TYR 16 2HB TYR 16 3.709 3.725 -10.784 134 HB3 TYR 16 1HB TYR 16 3.690 2.349 -11.869 135 HD1 TYR 16 HD1 TYR 16 4.135 2.728 -14.337 136 HD2 TYR 16 HD2 TYR 16 4.710 5.806 -11.428 137 HE1 TYR 16 HE1 TYR 16 5.610 3.925 -15.888 138 HE2 TYR 16 HE2 TYR 16 6.174 7.009 -12.992 139 HH TYR 16 HH TYR 16 7.639 6.410 -14.953 140 H SER 17 H SER 17 1.048 1.151 -12.071 141 HA SER 17 HA SER 17 -0.197 1.081 -9.430 142 HB2 SER 17 2HB SER 17 -1.159 -0.030 -11.592 143 HB3 SER 17 1HB SER 17 0.064 -1.275 -11.346 144 HG SER 17 HG SER 17 -0.875 -1.556 -9.212 145 H TYR 18 H TYR 18 1.480 1.210 -7.977 146 HA TYR 18 HA TYR 18 3.944 -0.318 -8.217 147 HB2 TYR 18 2HB TYR 18 2.872 1.607 -6.119 148 HB3 TYR 18 1HB TYR 18 4.408 0.768 -5.931 149 HD1 TYR 18 HD1 TYR 18 6.297 1.265 -7.446 150 HD2 TYR 18 HD2 TYR 18 2.689 3.530 -7.609 151 HE1 TYR 18 HE1 TYR 18 7.470 3.028 -8.669 152 HE2 TYR 18 HE2 TYR 18 3.864 5.285 -8.846 153 HH TYR 18 HH TYR 18 6.963 4.851 -10.193 154 H ASP 19 H ASP 19 4.705 -1.787 -6.587 155 HA ASP 19 HA ASP 19 2.696 -3.547 -5.507 156 HB2 ASP 19 2HB ASP 19 4.875 -4.453 -6.315 157 HB3 ASP 19 1HB ASP 19 5.723 -3.563 -5.053 158 H VAL 20 H VAL 20 2.241 -3.858 -3.362 159 HA VAL 20 HA VAL 20 3.095 -1.793 -1.413 160 HB VAL 20 HB VAL 20 0.762 -2.167 -0.369 161 HG11 VAL 20 1HG1 VAL 20 -0.370 -0.560 -1.882 162 HG12 VAL 20 2HG1 VAL 20 0.874 -0.829 -3.106 163 HG13 VAL 20 3HG1 VAL 20 1.300 -0.088 -1.562 164 HG21 VAL 20 3HG2 VAL 20 0.182 -4.246 -1.573 165 HG22 VAL 20 1HG2 VAL 20 0.163 -3.373 -3.107 166 HG23 VAL 20 2HG2 VAL 20 -1.031 -3.002 -1.859 167 H GLN 21 H GLN 21 3.983 -2.617 0.380 168 HA GLN 21 HA GLN 21 3.763 -5.521 0.929 169 HB2 GLN 21 2HB GLN 21 5.881 -5.009 -0.292 170 HB3 GLN 21 1HB GLN 21 6.326 -3.860 0.967 171 HG2 GLN 21 2HG GLN 21 6.383 -5.704 2.622 172 HG3 GLN 21 1HG GLN 21 5.952 -6.850 1.352 173 HE21 GLN 21 1HE2 GLN 21 8.471 -4.791 2.619 174 HE22 GLN 21 2HE2 GLN 21 9.765 -5.478 1.710 175 H PHE 22 H PHE 22 3.415 -6.016 2.987 176 HA PHE 22 HA PHE 22 3.130 -4.026 5.036 177 HB2 PHE 22 2HB PHE 22 2.923 -7.069 5.081 178 HB3 PHE 22 1HB PHE 22 2.649 -6.060 6.499 179 HD1 PHE 22 HD1 PHE 22 0.899 -4.099 6.188 180 HD2 PHE 22 HD2 PHE 22 1.039 -7.602 3.736 181 HE1 PHE 22 HE1 PHE 22 -1.448 -3.744 5.547 182 HE2 PHE 22 HE2 PHE 22 -1.307 -7.236 3.101 183 HZ PHE 22 HZ PHE 22 -2.547 -5.310 4.004 184 H ARG 23 H ARG 23 4.465 -3.562 6.659 185 HA ARG 23 HA ARG 23 7.001 -4.996 7.039 186 HB2 ARG 23 2HB ARG 23 7.449 -3.103 5.472 187 HB3 ARG 23 1HB ARG 23 6.768 -1.972 6.637 188 HG2 ARG 23 2HG ARG 23 9.194 -1.906 6.730 189 HG3 ARG 23 1HG ARG 23 8.571 -2.547 8.242 190 HD2 ARG 23 2HD ARG 23 9.104 -4.835 7.485 191 HD3 ARG 23 1HD ARG 23 9.722 -4.191 5.958 192 HE ARG 23 HE ARG 23 11.351 -2.916 7.483 193 HH11 ARG 23 1HH1 ARG 23 10.180 -6.151 8.194 194 HH12 ARG 23 2HH1 ARG 23 11.592 -6.593 9.095 195 HH21 ARG 23 1HH2 ARG 23 13.210 -3.524 8.671 196 HH22 ARG 23 2HH2 ARG 23 13.298 -5.109 9.365 197 H ARG 24 H ARG 24 6.848 -5.588 9.069 198 HA ARG 24 HA ARG 24 5.462 -3.945 11.083 199 HB2 ARG 24 2HB ARG 24 6.404 -6.846 11.218 200 HB3 ARG 24 1HB ARG 24 5.580 -5.984 12.515 201 HG2 ARG 24 2HG ARG 24 3.634 -5.651 10.886 202 HG3 ARG 24 1HG ARG 24 4.451 -6.813 9.834 203 HD2 ARG 24 2HD ARG 24 2.738 -7.926 11.192 204 HD3 ARG 24 1HD ARG 24 4.345 -8.509 11.633 205 HE ARG 24 HE ARG 24 4.241 -7.142 13.622 206 HH11 ARG 24 1HH1 ARG 24 1.159 -7.534 11.966 207 HH12 ARG 24 2HH1 ARG 24 0.223 -7.146 13.376 208 HH21 ARG 24 1HH2 ARG 24 3.003 -6.612 15.448 209 HH22 ARG 24 2HH2 ARG 24 1.273 -6.622 15.346 210 H THR 25 H THR 25 6.757 -2.539 12.062 211 HA THR 25 HA THR 25 9.254 -3.511 13.289 212 HB THR 25 HB THR 25 10.023 -2.255 11.344 213 HG1 THR 25 HG1 THR 25 11.325 -1.972 13.113 214 HG21 THR 25 3HG2 THR 25 9.569 0.146 11.039 215 HG22 THR 25 1HG2 THR 25 8.444 0.117 12.400 216 HG23 THR 25 2HG2 THR 25 8.083 -0.800 10.936 217 H GLN 26 H GLN 26 9.603 -2.821 15.313 218 HA GLN 26 HA GLN 26 9.264 -2.089 17.405 219 HB2 GLN 26 2HB GLN 26 7.704 0.247 16.213 220 HB3 GLN 26 1HB GLN 26 8.440 0.178 17.809 221 HG2 GLN 26 2HG GLN 26 9.868 0.275 15.142 222 HG3 GLN 26 1HG GLN 26 9.823 1.540 16.366 223 HE21 GLN 26 1HE2 GLN 26 12.083 0.084 15.085 224 HE22 GLN 26 2HE2 GLN 26 13.020 -0.546 16.392 225 H GLY 27 H GLY 27 7.256 -3.803 15.987 226 HA2 GLY 27 2HA GLY 27 5.573 -5.127 16.928 227 HA3 GLY 27 1HA GLY 27 5.252 -3.879 18.126 228 H LYS 28 H LYS 28 5.396 -2.155 15.416 229 HA LYS 28 HA LYS 28 2.470 -2.142 15.053 230 HB2 LYS 28 2HB LYS 28 4.544 -0.006 14.369 231 HB3 LYS 28 1HB LYS 28 2.790 0.178 14.302 232 HG2 LYS 28 2HG LYS 28 2.588 0.055 16.693 233 HG3 LYS 28 1HG LYS 28 4.273 -0.455 16.870 234 HD2 LYS 28 2HD LYS 28 5.032 1.738 16.035 235 HD3 LYS 28 1HD LYS 28 3.351 2.260 15.853 236 HE2 LYS 28 2HE LYS 28 3.033 1.989 18.305 237 HE3 LYS 28 1HE LYS 28 4.734 1.533 18.457 238 HZ1 LYS 28 3HZ LYS 28 5.369 3.698 17.625 239 HZ2 LYS 28 1HZ LYS 28 4.358 3.869 18.970 240 HZ3 LYS 28 2HZ LYS 28 3.746 4.135 17.418 241 H ILE 29 H ILE 29 1.632 -1.778 12.905 242 HA ILE 29 HA ILE 29 3.243 -3.059 10.791 243 HB ILE 29 HB ILE 29 1.149 -4.215 11.314 244 HG12 ILE 29 2HG1 ILE 29 0.112 -4.307 9.043 245 HG13 ILE 29 1HG1 ILE 29 0.942 -2.820 8.601 246 HG21 ILE 29 1HG2 ILE 29 -0.153 -2.356 12.225 247 HG22 ILE 29 2HG2 ILE 29 -1.067 -3.208 10.979 248 HG23 ILE 29 3HG2 ILE 29 -0.313 -1.655 10.611 249 HD11 ILE 29 3HD1 ILE 29 3.102 -3.967 8.822 250 HD12 ILE 29 1HD1 ILE 29 2.038 -4.764 7.664 251 HD13 ILE 29 2HD1 ILE 29 2.256 -5.453 9.269 252 H PHE 30 H PHE 30 3.756 -2.018 8.982 253 HA PHE 30 HA PHE 30 2.695 0.676 8.341 254 HB2 PHE 30 2HB PHE 30 5.606 -0.274 8.152 255 HB3 PHE 30 1HB PHE 30 5.011 1.245 7.488 256 HD1 PHE 30 HD2 PHE 30 5.325 -0.618 10.743 257 HD2 PHE 30 HD1 PHE 30 5.086 3.201 8.825 258 HE1 PHE 30 HE2 PHE 30 5.770 0.493 12.890 259 HE2 PHE 30 HE1 PHE 30 5.533 4.301 10.982 260 HZ PHE 30 HZ PHE 30 5.874 2.950 13.015 261 H LEU 31 H LEU 31 2.140 0.902 6.175 262 HA LEU 31 HA LEU 31 2.666 -1.399 4.382 263 HB2 LEU 31 2HB LEU 31 0.287 -0.600 4.619 264 HB3 LEU 31 1HB LEU 31 0.768 0.951 3.940 265 HG LEU 31 HG LEU 31 1.480 -0.259 1.827 266 HD11 LEU 31 1HD1 LEU 31 0.691 -2.558 1.443 267 HD12 LEU 31 2HD1 LEU 31 0.180 -2.666 3.128 268 HD13 LEU 31 3HD1 LEU 31 1.890 -2.471 2.732 269 HD21 LEU 31 3HD2 LEU 31 -1.440 -0.589 2.580 270 HD22 LEU 31 1HD2 LEU 31 -0.784 -0.590 0.939 271 HD23 LEU 31 2HD2 LEU 31 -0.690 0.868 1.924 272 H GLN 32 H GLN 32 4.682 -1.095 3.505 273 HA GLN 32 HA GLN 32 5.507 1.561 2.581 274 HB2 GLN 32 2HB GLN 32 7.058 -1.066 2.648 275 HB3 GLN 32 1HB GLN 32 7.714 0.495 2.156 276 HG2 GLN 32 2HG GLN 32 7.029 1.334 4.502 277 HG3 GLN 32 1HG GLN 32 6.819 -0.365 4.916 278 HE21 GLN 32 1HE2 GLN 32 8.715 1.653 5.945 279 HE22 GLN 32 2HE2 GLN 32 10.280 0.973 5.716 280 H VAL 33 H VAL 33 4.757 2.144 0.680 281 HA VAL 33 HA VAL 33 4.111 0.426 -1.501 282 HB VAL 33 HB VAL 33 4.633 3.445 -1.522 283 HG11 VAL 33 1HG1 VAL 33 3.210 1.707 -3.577 284 HG12 VAL 33 2HG1 VAL 33 4.785 2.478 -3.779 285 HG13 VAL 33 3HG1 VAL 33 3.334 3.467 -3.628 286 HG21 VAL 33 3HG2 VAL 33 2.177 3.696 -1.390 287 HG22 VAL 33 1HG2 VAL 33 2.815 2.858 0.028 288 HG23 VAL 33 2HG2 VAL 33 2.000 1.945 -1.245 289 H MET 34 H MET 34 5.650 -0.721 -2.444 290 HA MET 34 HA MET 34 8.418 -0.108 -2.630 291 HB2 MET 34 2HB MET 34 6.778 -2.055 -4.310 292 HB3 MET 34 1HB MET 34 8.527 -2.078 -4.125 293 HG2 MET 34 2HG MET 34 6.628 -2.509 -1.809 294 HG3 MET 34 1HG MET 34 7.209 -3.820 -2.827 295 HE1 MET 34 3HE MET 34 8.773 -0.705 -0.732 296 HE2 MET 34 1HE MET 34 9.574 -1.693 0.489 297 HE3 MET 34 2HE MET 34 7.819 -1.756 0.319 298 H TRP 35 H TRP 35 9.622 0.328 -4.538 299 HA TRP 35 HA TRP 35 8.482 2.222 -6.412 300 HB2 TRP 35 2HB TRP 35 10.900 2.267 -7.284 301 HB3 TRP 35 1HB TRP 35 10.665 2.776 -5.618 302 HD1 TRP 35 HD1 TRP 35 12.373 0.035 -7.690 303 HE1 TRP 35 HE1 TRP 35 13.902 -1.339 -6.139 304 HE3 TRP 35 HE3 TRP 35 10.903 1.933 -3.152 305 HZ2 TRP 35 HZ2 TRP 35 14.416 -1.594 -3.383 306 HZ3 TRP 35 HZ3 TRP 35 11.963 1.060 -1.109 307 HH2 TRP 35 HH2 TRP 35 13.686 -0.670 -1.225 308 H LYS 36 H LYS 36 8.436 -1.049 -6.330 309 HA LYS 36 HA LYS 36 9.091 -1.607 -9.117 310 HB2 LYS 36 2HB LYS 36 8.200 -3.452 -6.857 311 HB3 LYS 36 1HB LYS 36 8.791 -3.969 -8.438 312 HG2 LYS 36 2HG LYS 36 10.998 -3.039 -7.976 313 HG3 LYS 36 1HG LYS 36 10.430 -2.361 -6.447 314 HD2 LYS 36 2HD LYS 36 10.031 -4.653 -5.582 315 HD3 LYS 36 1HD LYS 36 10.603 -5.327 -7.112 316 HE2 LYS 36 2HE LYS 36 12.829 -4.322 -6.721 317 HE3 LYS 36 1HE LYS 36 12.257 -3.645 -5.193 318 HZ1 LYS 36 3HZ LYS 36 12.458 -6.532 -5.860 319 HZ2 LYS 36 1HZ LYS 36 11.867 -5.910 -4.404 320 HZ3 LYS 36 2HZ LYS 36 13.486 -5.674 -4.828 321 H TYR 37 H TYR 37 7.575 -1.410 -10.592 322 HA TYR 37 HA TYR 37 4.699 -1.698 -9.919 323 HB2 TYR 37 2HB TYR 37 4.531 -0.276 -12.196 324 HB3 TYR 37 1HB TYR 37 4.748 0.500 -10.638 325 HD1 TYR 37 HD2 TYR 37 7.138 -1.073 -13.132 326 HD2 TYR 37 HD1 TYR 37 6.126 2.358 -10.813 327 HE1 TYR 37 HE2 TYR 37 9.155 0.077 -13.939 328 HE2 TYR 37 HE1 TYR 37 8.136 3.500 -11.608 329 HH TYR 37 HH TYR 37 9.998 2.387 -14.202 330 H LEU 38 H LEU 38 3.352 -2.393 -11.789 331 HA LEU 38 HA LEU 38 4.202 -4.963 -12.656 332 HB2 LEU 38 2HB LEU 38 1.843 -4.307 -12.054 333 HB3 LEU 38 1HB LEU 38 1.756 -3.388 -13.545 334 HG LEU 38 HG LEU 38 2.065 -5.509 -14.847 335 HD11 LEU 38 1HD1 LEU 38 1.883 -7.688 -13.758 336 HD12 LEU 38 2HD1 LEU 38 1.871 -6.922 -12.169 337 HD13 LEU 38 3HD1 LEU 38 3.308 -6.820 -13.191 338 HD21 LEU 38 3HD2 LEU 38 -0.294 -5.582 -12.935 339 HD22 LEU 38 1HD2 LEU 38 -0.185 -6.408 -14.494 340 HD23 LEU 38 2HD2 LEU 38 -0.198 -4.648 -14.431 341 H GLU 39 H GLU 39 4.637 -1.868 -14.042 342 HA GLU 39 HA GLU 39 4.795 -2.321 -16.796 343 HB2 GLU 39 2HB GLU 39 6.701 -0.577 -15.185 344 HB3 GLU 39 1HB GLU 39 6.314 -0.405 -16.889 345 HG2 GLU 39 2HG GLU 39 4.351 0.006 -14.620 346 HG3 GLU 39 1HG GLU 39 5.239 1.296 -15.424 347 H GLN 40 H GLN 40 7.054 -3.060 -14.198 348 HA GLN 40 HA GLN 40 9.324 -3.807 -15.705 349 HB2 GLN 40 2HB GLN 40 8.417 -4.600 -12.900 350 HB3 GLN 40 1HB GLN 40 9.985 -5.047 -13.570 351 HG2 GLN 40 2HG GLN 40 10.614 -2.694 -13.766 352 HG3 GLN 40 1HG GLN 40 9.017 -2.201 -13.211 353 HE21 GLN 40 1HE2 GLN 40 10.004 -0.991 -11.535 354 HE22 GLN 40 2HE2 GLN 40 10.641 -1.752 -10.122 355 H ALA 41 H ALA 41 9.596 -5.519 -16.986 356 HA ALA 41 HA ALA 41 7.708 -7.647 -17.302 357 HB1 ALA 41 3HB ALA 41 9.068 -6.776 -19.168 358 HB2 ALA 41 1HB ALA 41 9.312 -8.515 -18.967 359 HB3 ALA 41 2HB ALA 41 10.533 -7.375 -18.393 360 H SER 42 H SER 42 10.616 -7.215 -15.439 361 HA SER 42 HA SER 42 10.926 -10.047 -14.761 362 HB2 SER 42 2HB SER 42 12.532 -7.602 -13.895 363 HB3 SER 42 1HB SER 42 12.963 -9.287 -13.584 364 HG SER 42 HG SER 42 13.097 -7.813 -15.940 365 H PHE 43 H PHE 43 8.694 -7.992 -13.811 366 HA PHE 43 HA PHE 43 8.831 -7.671 -11.042 367 HB2 PHE 43 2HB PHE 43 7.161 -6.616 -12.712 368 HB3 PHE 43 1HB PHE 43 6.252 -8.119 -12.628 369 HD1 PHE 43 HD1 PHE 43 7.569 -5.321 -10.529 370 HD2 PHE 43 HD2 PHE 43 4.643 -8.417 -10.879 371 HE1 PHE 43 HE1 PHE 43 6.409 -4.463 -8.542 372 HE2 PHE 43 HE2 PHE 43 3.499 -7.551 -8.894 373 HZ PHE 43 HZ PHE 43 4.375 -5.575 -7.719 374 HA PRO 44 HA PRO 44 8.891 -11.883 -9.651 375 HB2 PRO 44 2HB PRO 44 7.871 -11.635 -7.076 376 HB3 PRO 44 1HB PRO 44 9.503 -11.125 -7.546 377 HG2 PRO 44 2HG PRO 44 7.018 -9.454 -7.310 378 HG3 PRO 44 1HG PRO 44 8.654 -9.122 -6.692 379 HD2 PRO 44 2HD PRO 44 7.817 -7.971 -8.950 380 HD3 PRO 44 1HD PRO 44 9.489 -8.566 -8.823 381 H MET 45 H MET 45 5.824 -10.196 -9.451 382 HA MET 45 HA MET 45 4.312 -12.739 -9.625 383 HB2 MET 45 2HB MET 45 3.460 -9.950 -8.734 384 HB3 MET 45 1HB MET 45 2.323 -11.266 -8.994 385 HG2 MET 45 2HG MET 45 3.285 -12.548 -7.190 386 HG3 MET 45 1HG MET 45 4.611 -11.400 -7.014 387 HE1 MET 45 3HE MET 45 3.138 -8.586 -7.270 388 HE2 MET 45 1HE MET 45 4.355 -8.960 -6.049 389 HE3 MET 45 2HE MET 45 2.815 -8.249 -5.569 390 H ASN 46 H ASN 46 2.729 -12.957 -11.251 391 HA ASN 46 HA ASN 46 3.131 -11.503 -13.725 392 HB2 ASN 46 2HB ASN 46 1.093 -13.629 -12.930 393 HB3 ASN 46 1HB ASN 46 1.188 -12.930 -14.540 394 HD21 ASN 46 1HD2 ASN 46 2.787 -15.008 -12.231 395 HD22 ASN 46 2HD2 ASN 46 3.871 -15.738 -13.362 396 H GLU 47 H GLU 47 0.830 -10.950 -14.855 397 HA GLU 47 HA GLU 47 0.057 -8.492 -13.699 398 HB2 GLU 47 2HB GLU 47 -1.245 -10.082 -15.945 399 HB3 GLU 47 1HB GLU 47 -1.553 -8.380 -15.599 400 HG2 GLU 47 2HG GLU 47 0.736 -7.787 -16.156 401 HG3 GLU 47 1HG GLU 47 1.182 -9.485 -16.332 402 H THR 48 H THR 48 -1.638 -11.639 -13.849 403 HA THR 48 HA THR 48 -3.972 -10.685 -12.445 404 HB THR 48 HB THR 48 -3.170 -13.605 -12.824 405 HG1 THR 48 HG1 THR 48 -4.510 -13.401 -14.760 406 HG21 THR 48 3HG2 THR 48 -5.599 -14.022 -12.785 407 HG22 THR 48 1HG2 THR 48 -5.912 -12.301 -12.567 408 HG23 THR 48 2HG2 THR 48 -5.095 -13.216 -11.295 409 H GLU 49 H GLU 49 -1.086 -12.579 -11.586 410 HA GLU 49 HA GLU 49 -1.740 -13.343 -8.967 411 HB2 GLU 49 2HB GLU 49 1.052 -12.727 -10.021 412 HB3 GLU 49 1HB GLU 49 0.658 -13.755 -8.649 413 HG2 GLU 49 2HG GLU 49 0.025 -14.301 -11.555 414 HG3 GLU 49 1HG GLU 49 1.262 -15.095 -10.583 415 H TYR 50 H TYR 50 -0.216 -10.456 -10.223 416 HA TYR 50 HA TYR 50 0.452 -9.166 -7.793 417 HB2 TYR 50 2HB TYR 50 1.599 -8.462 -9.766 418 HB3 TYR 50 1HB TYR 50 0.104 -8.243 -10.670 419 HD1 TYR 50 HD1 TYR 50 1.697 -6.909 -7.516 420 HD2 TYR 50 HD2 TYR 50 -0.510 -6.033 -11.073 421 HE1 TYR 50 HE1 TYR 50 1.670 -4.536 -6.917 422 HE2 TYR 50 HE2 TYR 50 -0.529 -3.656 -10.472 423 HH TYR 50 HH TYR 50 1.388 -2.361 -8.073 424 H GLN 51 H GLN 51 -2.429 -9.042 -9.908 425 HA GLN 51 HA GLN 51 -3.747 -6.937 -8.527 426 HB2 GLN 51 2HB GLN 51 -4.321 -7.665 -10.865 427 HB3 GLN 51 1HB GLN 51 -5.038 -9.133 -10.205 428 HG2 GLN 51 2HG GLN 51 -6.754 -7.445 -10.741 429 HG3 GLN 51 1HG GLN 51 -6.730 -7.813 -9.018 430 HE21 GLN 51 1HE2 GLN 51 -7.630 -5.873 -8.343 431 HE22 GLN 51 2HE2 GLN 51 -6.826 -4.354 -8.484 432 H GLU 52 H GLU 52 -3.788 -10.458 -8.146 433 HA GLU 52 HA GLU 52 -5.784 -10.606 -6.119 434 HB2 GLU 52 2HB GLU 52 -3.481 -12.555 -6.573 435 HB3 GLU 52 1HB GLU 52 -4.987 -12.889 -5.726 436 HG2 GLU 52 2HG GLU 52 -4.578 -12.473 -8.692 437 HG3 GLU 52 1HG GLU 52 -5.131 -13.926 -7.871 438 H HIS 53 H HIS 53 -2.297 -10.104 -6.096 439 HA HIS 53 HA HIS 53 -1.790 -10.201 -3.319 440 HB2 HIS 53 2HB HIS 53 0.065 -10.239 -4.894 441 HB3 HIS 53 1HB HIS 53 -0.402 -8.689 -5.576 442 HD1 HIS 53 HD1 HIS 53 1.442 -10.230 -2.731 443 HD2 HIS 53 HD2 HIS 53 0.446 -6.425 -4.070 444 HE1 HIS 53 HE1 HIS 53 2.866 -8.657 -1.405 445 HE2 HIS 53 HE2 HIS 53 2.482 -6.418 -2.480 446 H LEU 54 H LEU 54 -2.846 -7.574 -5.458 447 HA LEU 54 HA LEU 54 -2.724 -5.447 -3.591 448 HB2 LEU 54 2HB LEU 54 -4.384 -5.784 -6.114 449 HB3 LEU 54 1HB LEU 54 -4.281 -4.278 -5.213 450 HG LEU 54 HG LEU 54 -1.918 -5.662 -6.546 451 HD11 LEU 54 1HD1 LEU 54 -3.473 -4.831 -8.218 452 HD12 LEU 54 2HD1 LEU 54 -2.023 -3.832 -8.190 453 HD13 LEU 54 3HD1 LEU 54 -3.507 -3.250 -7.441 454 HD21 LEU 54 3HD2 LEU 54 -0.701 -3.563 -6.081 455 HD22 LEU 54 1HD2 LEU 54 -1.214 -4.369 -4.598 456 HD23 LEU 54 2HD2 LEU 54 -2.092 -2.952 -5.180 457 H ASP 55 H ASP 55 -5.406 -7.557 -4.633 458 HA ASP 55 HA ASP 55 -7.380 -6.334 -2.988 459 HB2 ASP 55 2HB ASP 55 -7.924 -7.697 -5.019 460 HB3 ASP 55 1HB ASP 55 -7.415 -9.152 -4.165 461 H SER 56 H SER 56 -5.068 -8.935 -2.470 462 HA SER 56 HA SER 56 -6.026 -9.941 -0.005 463 HB2 SER 56 2HB SER 56 -4.309 -11.106 -1.387 464 HB3 SER 56 1HB SER 56 -3.139 -9.836 -1.016 465 HG SER 56 HG SER 56 -4.181 -11.871 0.613 466 H VAL 57 H VAL 57 -3.750 -7.333 -0.792 467 HA VAL 57 HA VAL 57 -3.019 -6.693 1.896 468 HB VAL 57 HB VAL 57 -2.648 -5.205 -0.743 469 HG11 VAL 57 1HG1 VAL 57 -2.787 -3.480 1.002 470 HG12 VAL 57 2HG1 VAL 57 -1.130 -3.634 0.427 471 HG13 VAL 57 3HG1 VAL 57 -1.589 -4.336 1.976 472 HG21 VAL 57 3HG2 VAL 57 -1.313 -7.247 -0.492 473 HG22 VAL 57 1HG2 VAL 57 -0.697 -6.690 1.068 474 HG23 VAL 57 2HG2 VAL 57 -0.257 -5.836 -0.418 475 H ALA 58 H ALA 58 -5.235 -5.154 -0.452 476 HA ALA 58 HA ALA 58 -6.179 -3.053 1.163 477 HB1 ALA 58 3HB ALA 58 -6.468 -3.155 -1.280 478 HB2 ALA 58 1HB ALA 58 -8.010 -2.890 -0.466 479 HB3 ALA 58 2HB ALA 58 -7.608 -4.490 -1.101 480 H ASN 59 H ASN 59 -7.252 -6.398 0.829 481 HA ASN 59 HA ASN 59 -9.568 -6.384 2.442 482 HB2 ASN 59 2HB ASN 59 -8.957 -8.280 0.975 483 HB3 ASN 59 1HB ASN 59 -7.531 -8.611 1.951 484 HD21 ASN 59 1HD2 ASN 59 -7.823 -9.610 4.008 485 HD22 ASN 59 2HD2 ASN 59 -9.293 -10.422 4.410 486 H TYR 60 H TYR 60 -6.137 -6.882 3.224 487 HA TYR 60 HA TYR 60 -6.425 -7.426 5.995 488 HB2 TYR 60 2HB TYR 60 -4.410 -7.779 4.247 489 HB3 TYR 60 1HB TYR 60 -3.883 -6.225 4.868 490 HD1 TYR 60 HD1 TYR 60 -4.999 -6.967 7.815 491 HD2 TYR 60 HD2 TYR 60 -2.369 -8.859 5.023 492 HE1 TYR 60 HE1 TYR 60 -3.890 -8.139 9.655 493 HE2 TYR 60 HE2 TYR 60 -1.269 -10.034 6.869 494 HH TYR 60 HH TYR 60 -2.555 -10.218 9.980 495 H LEU 61 H LEU 61 -5.875 -4.477 4.115 496 HA LEU 61 HA LEU 61 -5.372 -2.669 6.243 497 HB2 LEU 61 2HB LEU 61 -6.516 -2.175 3.461 498 HB3 LEU 61 1HB LEU 61 -6.002 -0.905 4.556 499 HG LEU 61 HG LEU 61 -4.167 -3.007 3.345 500 HD11 LEU 61 1HD1 LEU 61 -4.431 -0.065 2.643 501 HD12 LEU 61 2HD1 LEU 61 -4.992 -1.423 1.662 502 HD13 LEU 61 3HD1 LEU 61 -3.271 -1.210 1.960 503 HD21 LEU 61 3HD2 LEU 61 -3.362 -2.289 5.542 504 HD22 LEU 61 1HD2 LEU 61 -3.479 -0.593 5.058 505 HD23 LEU 61 2HD2 LEU 61 -2.320 -1.666 4.267 506 H HIS 62 H HIS 62 -8.314 -3.758 4.621 507 HA HIS 62 HA HIS 62 -10.229 -2.201 6.026 508 HB2 HIS 62 2HB HIS 62 -10.852 -3.372 3.978 509 HB3 HIS 62 1HB HIS 62 -10.407 -4.930 4.663 510 HD1 HIS 62 HD1 HIS 62 -12.325 -6.249 5.464 511 HD2 HIS 62 HD2 HIS 62 -13.190 -2.189 5.535 512 HE1 HIS 62 HE1 HIS 62 -14.718 -6.092 6.185 513 HE2 HIS 62 HE2 HIS 62 -15.255 -3.637 6.078 514 H ALA 63 H ALA 63 -8.719 -5.342 6.651 515 HA ALA 63 HA ALA 63 -10.288 -6.117 8.889 516 HB1 ALA 63 3HB ALA 63 -9.054 -7.723 7.502 517 HB2 ALA 63 1HB ALA 63 -8.594 -7.875 9.199 518 HB3 ALA 63 2HB ALA 63 -7.522 -7.051 8.060 519 H LEU 64 H LEU 64 -7.390 -4.182 8.568 520 HA LEU 64 HA LEU 64 -6.901 -4.037 11.467 521 HB2 LEU 64 2HB LEU 64 -5.393 -2.858 9.090 522 HB3 LEU 64 1HB LEU 64 -4.902 -2.663 10.765 523 HG LEU 64 HG LEU 64 -5.050 -5.327 9.301 524 HD11 LEU 64 1HD1 LEU 64 -3.244 -3.941 8.407 525 HD12 LEU 64 2HD1 LEU 64 -2.597 -5.300 9.320 526 HD13 LEU 64 3HD1 LEU 64 -2.601 -3.683 10.032 527 HD21 LEU 64 3HD2 LEU 64 -3.897 -6.262 11.263 528 HD22 LEU 64 1HD2 LEU 64 -5.468 -5.588 11.698 529 HD23 LEU 64 2HD2 LEU 64 -3.991 -4.697 12.077 530 H GLY 65 H GLY 65 -8.501 -2.249 8.976 531 HA2 GLY 65 2HA GLY 65 -9.698 -0.259 9.072 532 HA3 GLY 65 1HA GLY 65 -9.102 0.019 10.704 533 H GLY 66 H GLY 66 -6.549 -0.747 8.665 534 HA2 GLY 66 2HA GLY 66 -5.488 1.950 8.656 535 HA3 GLY 66 1HA GLY 66 -4.677 0.491 8.111 536 H ALA 67 H ALA 67 -7.589 0.385 6.598 537 HA ALA 67 HA ALA 67 -6.668 0.940 4.011 538 HB1 ALA 67 3HB ALA 67 -9.023 0.727 3.323 539 HB2 ALA 67 1HB ALA 67 -9.536 0.855 5.011 540 HB3 ALA 67 2HB ALA 67 -8.581 -0.529 4.478 541 H VAL 68 H VAL 68 -8.750 2.863 6.155 542 HA VAL 68 HA VAL 68 -9.080 5.142 4.520 543 HB VAL 68 HB VAL 68 -9.114 5.021 7.578 544 HG11 VAL 68 1HG1 VAL 68 -10.597 7.003 7.466 545 HG12 VAL 68 2HG1 VAL 68 -10.410 7.050 5.713 546 HG13 VAL 68 3HG1 VAL 68 -9.017 7.342 6.754 547 HG21 VAL 68 3HG2 VAL 68 -11.551 4.656 7.395 548 HG22 VAL 68 1HG2 VAL 68 -10.644 3.350 6.628 549 HG23 VAL 68 2HG2 VAL 68 -11.415 4.591 5.636 550 H GLN 69 H GLN 69 -6.618 4.199 6.869 551 HA GLN 69 HA GLN 69 -5.292 6.683 7.146 552 HB2 GLN 69 2HB GLN 69 -4.175 3.880 7.563 553 HB3 GLN 69 1HB GLN 69 -3.454 5.368 8.168 554 HG2 GLN 69 2HG GLN 69 -6.187 4.334 8.978 555 HG3 GLN 69 1HG GLN 69 -4.704 4.067 9.889 556 HE21 GLN 69 1HE2 GLN 69 -5.616 5.090 11.700 557 HE22 GLN 69 2HE2 GLN 69 -5.770 6.801 11.806 558 H VAL 70 H VAL 70 -4.838 3.999 4.868 559 HA VAL 70 HA VAL 70 -2.487 5.051 3.591 560 HB VAL 70 HB VAL 70 -4.540 3.007 2.601 561 HG11 VAL 70 1HG1 VAL 70 -1.802 3.650 1.434 562 HG12 VAL 70 2HG1 VAL 70 -3.362 3.951 0.669 563 HG13 VAL 70 3HG1 VAL 70 -2.825 2.296 0.951 564 HG21 VAL 70 3HG2 VAL 70 -2.878 1.312 3.251 565 HG22 VAL 70 1HG2 VAL 70 -3.355 2.294 4.637 566 HG23 VAL 70 2HG2 VAL 70 -1.800 2.577 3.850 567 H LYS 71 H LYS 71 -5.977 5.132 2.873 568 HA LYS 71 HA LYS 71 -5.913 6.484 0.393 569 HB2 LYS 71 2HB LYS 71 -8.091 6.289 2.512 570 HB3 LYS 71 1HB LYS 71 -8.357 7.000 0.921 571 HG2 LYS 71 2HG LYS 71 -7.998 4.888 -0.180 572 HG3 LYS 71 1HG LYS 71 -7.394 4.149 1.304 573 HD2 LYS 71 2HD LYS 71 -9.667 3.375 0.844 574 HD3 LYS 71 1HD LYS 71 -9.642 4.342 2.319 575 HE2 LYS 71 2HE LYS 71 -11.600 4.909 1.001 576 HE3 LYS 71 1HE LYS 71 -10.498 6.287 1.009 577 HZ1 LYS 71 3HZ LYS 71 -10.887 4.333 -1.195 578 HZ2 LYS 71 1HZ LYS 71 -9.703 5.537 -1.190 579 HZ3 LYS 71 2HZ LYS 71 -11.334 5.964 -1.188 580 H THR 72 H THR 72 -5.913 7.679 3.699 581 HA THR 72 HA THR 72 -6.307 10.461 2.996 582 HB THR 72 HB THR 72 -5.581 9.163 5.671 583 HG1 THR 72 HG1 THR 72 -7.650 8.589 4.970 584 HG21 THR 72 3HG2 THR 72 -4.916 11.552 5.655 585 HG22 THR 72 1HG2 THR 72 -6.310 11.290 6.708 586 HG23 THR 72 2HG2 THR 72 -6.533 12.003 5.110 587 H PHE 73 H PHE 73 -3.607 8.425 4.181 588 HA PHE 73 HA PHE 73 -1.683 10.436 4.549 589 HB2 PHE 73 2HB PHE 73 -1.417 8.167 5.503 590 HB3 PHE 73 1HB PHE 73 -1.218 7.489 3.893 591 HD1 PHE 73 HD2 PHE 73 0.366 9.681 6.452 592 HD2 PHE 73 HD1 PHE 73 0.952 7.548 2.791 593 HE1 PHE 73 HE2 PHE 73 2.792 10.046 6.616 594 HE2 PHE 73 HE1 PHE 73 3.378 7.919 2.966 595 HZ PHE 73 HZ PHE 73 4.296 9.167 4.875 596 H ILE 74 H ILE 74 -2.221 8.283 1.735 597 HA ILE 74 HA ILE 74 -0.030 9.160 0.194 598 HB ILE 74 HB ILE 74 -2.598 7.725 -0.597 599 HG12 ILE 74 2HG1 ILE 74 0.305 6.838 -0.245 600 HG13 ILE 74 1HG1 ILE 74 -1.074 6.372 0.741 601 HG21 ILE 74 1HG2 ILE 74 -1.883 9.007 -2.580 602 HG22 ILE 74 2HG2 ILE 74 -1.647 7.278 -2.829 603 HG23 ILE 74 3HG2 ILE 74 -0.265 8.311 -2.456 604 HD11 ILE 74 3HD1 ILE 74 -1.990 5.137 -1.193 605 HD12 ILE 74 1HD1 ILE 74 -0.417 4.549 -0.660 606 HD13 ILE 74 2HD1 ILE 74 -0.536 5.547 -2.107 607 H THR 75 H THR 75 -3.370 10.334 0.352 608 HA THR 75 HA THR 75 -3.158 12.196 -1.801 609 HB THR 75 HB THR 75 -5.141 12.153 0.517 610 HG1 THR 75 HG1 THR 75 -6.030 10.539 -0.532 611 HG21 THR 75 3HG2 THR 75 -5.344 13.474 -2.225 612 HG22 THR 75 1HG2 THR 75 -5.207 14.318 -0.681 613 HG23 THR 75 2HG2 THR 75 -6.650 13.369 -1.044 614 H GLN 76 H GLN 76 -2.554 12.408 1.683 615 HA GLN 76 HA GLN 76 -2.158 15.262 1.766 616 HB2 GLN 76 2HB GLN 76 -1.450 13.051 3.733 617 HB3 GLN 76 1HB GLN 76 -1.177 14.760 4.061 618 HG2 GLN 76 2HG GLN 76 -3.590 15.190 3.929 619 HG3 GLN 76 1HG GLN 76 -3.885 13.494 3.553 620 HE21 GLN 76 1HE2 GLN 76 -1.912 12.471 5.470 621 HE22 GLN 76 2HE2 GLN 76 -2.599 12.710 7.033 622 H THR 77 H THR 77 -0.036 12.469 1.270 623 HA THR 77 HA THR 77 2.364 13.940 2.002 624 HB THR 77 HB THR 77 2.047 11.487 2.588 625 HG1 THR 77 HG1 THR 77 4.130 11.572 2.747 626 HG21 THR 77 3HG2 THR 77 1.164 10.653 0.410 627 HG22 THR 77 1HG2 THR 77 2.604 9.770 0.918 628 HG23 THR 77 2HG2 THR 77 2.720 10.995 -0.347 629 H LYS 78 H LYS 78 4.162 14.201 0.632 630 HA LYS 78 HA LYS 78 3.586 14.513 -2.253 631 HB2 LYS 78 2HB LYS 78 5.971 15.606 -0.706 632 HB3 LYS 78 1HB LYS 78 5.437 16.069 -2.320 633 HG2 LYS 78 2HG LYS 78 3.403 17.101 -1.343 634 HG3 LYS 78 1HG LYS 78 3.956 16.642 0.270 635 HD2 LYS 78 2HD LYS 78 5.267 18.616 -1.633 636 HD3 LYS 78 1HD LYS 78 4.507 18.970 -0.081 637 HE2 LYS 78 2HE LYS 78 7.077 17.406 -0.516 638 HE3 LYS 78 1HE LYS 78 6.934 19.025 0.158 639 HZ1 LYS 78 3HZ LYS 78 7.262 17.379 1.883 640 HZ2 LYS 78 1HZ LYS 78 5.874 16.540 1.406 641 HZ3 LYS 78 2HZ LYS 78 5.745 18.099 2.045 642 H GLU 79 H GLU 79 4.977 12.359 -0.113 643 HA GLU 79 HA GLU 79 7.441 11.667 -1.262 644 HB2 GLU 79 2HB GLU 79 5.507 9.927 0.324 645 HB3 GLU 79 1HB GLU 79 7.173 9.488 -0.043 646 HG2 GLU 79 2HG GLU 79 6.243 11.802 1.665 647 HG3 GLU 79 1HG GLU 79 7.013 10.321 2.223 648 H ARG 80 H ARG 80 8.007 10.453 -2.904 649 HA ARG 80 HA ARG 80 6.011 8.800 -4.330 650 HB2 ARG 80 2HB ARG 80 8.280 10.407 -5.594 651 HB3 ARG 80 1HB ARG 80 7.210 9.296 -6.446 652 HG2 ARG 80 2HG ARG 80 5.275 10.777 -5.627 653 HG3 ARG 80 1HG ARG 80 6.513 11.942 -5.194 654 HD2 ARG 80 2HD ARG 80 5.551 12.439 -7.403 655 HD3 ARG 80 1HD ARG 80 7.266 12.030 -7.547 656 HE ARG 80 HE ARG 80 6.230 9.665 -7.981 657 HH11 ARG 80 1HH1 ARG 80 5.064 12.707 -9.328 658 HH12 ARG 80 2HH1 ARG 80 4.431 11.946 -10.754 659 HH21 ARG 80 1HH2 ARG 80 5.428 8.706 -9.811 660 HH22 ARG 80 2HH2 ARG 80 4.641 9.660 -11.025 661 HA PRO 81 HA PRO 81 8.966 5.583 -3.347 662 HB2 PRO 81 2HB PRO 81 7.980 3.572 -4.955 663 HB3 PRO 81 1HB PRO 81 7.172 4.090 -3.466 664 HG2 PRO 81 2HG PRO 81 6.512 4.786 -6.298 665 HG3 PRO 81 1HG PRO 81 5.420 4.412 -4.946 666 HD2 PRO 81 2HD PRO 81 5.942 6.991 -5.781 667 HD3 PRO 81 1HD PRO 81 5.499 6.560 -4.112 668 H ARG 82 H ARG 82 10.924 5.866 -4.053 669 HA ARG 82 HA ARG 82 11.638 5.938 -6.920 670 HB2 ARG 82 2HB ARG 82 13.009 7.122 -4.461 671 HB3 ARG 82 1HB ARG 82 13.690 7.153 -6.087 672 HG2 ARG 82 2HG ARG 82 11.909 8.569 -6.881 673 HG3 ARG 82 1HG ARG 82 11.047 8.430 -5.346 674 HD2 ARG 82 2HD ARG 82 12.873 9.608 -4.198 675 HD3 ARG 82 1HD ARG 82 13.775 9.716 -5.714 676 HE ARG 82 HE ARG 82 11.225 10.888 -6.043 677 HH11 ARG 82 1HH1 ARG 82 14.285 11.515 -4.414 678 HH12 ARG 82 2HH1 ARG 82 14.095 13.240 -4.467 679 HH21 ARG 82 1HH2 ARG 82 11.032 13.161 -6.171 680 HH22 ARG 82 2HH2 ARG 82 12.258 14.166 -5.461 681 H LEU 83 H LEU 83 13.920 5.184 -7.284 682 HA LEU 83 HA LEU 83 14.157 2.461 -6.544 683 HB2 LEU 83 2HB LEU 83 15.013 3.365 -8.691 684 HB3 LEU 83 1HB LEU 83 16.231 4.285 -7.821 685 HG LEU 83 HG LEU 83 17.286 2.149 -7.053 686 HD11 LEU 83 1HD1 LEU 83 15.243 0.767 -8.821 687 HD12 LEU 83 2HD1 LEU 83 15.324 0.693 -7.059 688 HD13 LEU 83 3HD1 LEU 83 16.619 -0.004 -8.026 689 HD21 LEU 83 3HD2 LEU 83 18.277 1.500 -9.204 690 HD22 LEU 83 1HD2 LEU 83 18.134 3.253 -9.070 691 HD23 LEU 83 2HD2 LEU 83 16.991 2.347 -10.068 692 H GLY 84 H GLY 84 14.342 2.120 -4.381 693 HA2 GLY 84 2HA GLY 84 15.957 1.534 -2.679 694 HA3 GLY 84 1HA GLY 84 16.809 3.038 -2.998 695 H LYS 85 H LYS 85 13.826 4.147 -3.134 696 HA LYS 85 HA LYS 85 13.525 4.553 -0.213 697 HB2 LYS 85 2HB LYS 85 14.513 6.513 -1.675 698 HB3 LYS 85 1HB LYS 85 12.881 6.718 -2.284 699 HG2 LYS 85 2HG LYS 85 13.589 6.842 0.667 700 HG3 LYS 85 1HG LYS 85 13.571 8.257 -0.380 701 HD2 LYS 85 2HD LYS 85 11.185 8.036 -0.749 702 HD3 LYS 85 1HD LYS 85 11.155 6.474 0.071 703 HE2 LYS 85 2HE LYS 85 11.784 7.599 2.197 704 HE3 LYS 85 1HE LYS 85 11.743 9.158 1.367 705 HZ1 LYS 85 3HZ LYS 85 9.433 8.912 0.956 706 HZ2 LYS 85 1HZ LYS 85 9.689 8.604 2.597 707 HZ3 LYS 85 2HZ LYS 85 9.419 7.317 1.535 708 H ALA 86 H ALA 86 11.723 3.420 0.298 709 HA ALA 86 HA ALA 86 9.360 3.296 -1.428 710 HB1 ALA 86 3HB ALA 86 10.121 1.265 -0.216 711 HB2 ALA 86 1HB ALA 86 8.487 1.728 0.256 712 HB3 ALA 86 2HB ALA 86 9.848 2.077 1.329 713 H VAL 87 H VAL 87 7.286 4.085 -0.785 714 HA VAL 87 HA VAL 87 7.216 6.302 1.123 715 HB VAL 87 HB VAL 87 4.944 5.089 -0.535 716 HG11 VAL 87 1HG1 VAL 87 4.985 7.690 1.051 717 HG12 VAL 87 2HG1 VAL 87 4.069 6.242 1.463 718 HG13 VAL 87 3HG1 VAL 87 3.670 7.146 0.003 719 HG21 VAL 87 3HG2 VAL 87 5.207 7.051 -2.002 720 HG22 VAL 87 1HG2 VAL 87 6.684 6.086 -1.949 721 HG23 VAL 87 2HG2 VAL 87 6.583 7.595 -1.040 722 H SER 88 H SER 88 7.528 5.414 3.122 723 HA SER 88 HA SER 88 6.166 3.034 4.027 724 HB2 SER 88 2HB SER 88 8.493 3.653 4.764 725 HB3 SER 88 1HB SER 88 7.824 5.028 5.643 726 HG SER 88 HG SER 88 6.967 3.699 7.099 727 H ILE 89 H ILE 89 4.023 3.303 4.201 728 HA ILE 89 HA ILE 89 2.766 5.700 5.275 729 HB ILE 89 HB ILE 89 1.506 3.049 4.429 730 HG12 ILE 89 2HG1 ILE 89 1.684 5.629 2.799 731 HG13 ILE 89 1HG1 ILE 89 2.755 4.251 2.579 732 HG21 ILE 89 1HG2 ILE 89 -0.631 4.300 4.317 733 HG22 ILE 89 2HG2 ILE 89 0.182 5.747 4.914 734 HG23 ILE 89 3HG2 ILE 89 0.043 4.326 5.950 735 HD11 ILE 89 3HD1 ILE 89 1.031 4.265 0.917 736 HD12 ILE 89 1HD1 ILE 89 -0.223 4.265 2.157 737 HD13 ILE 89 2HD1 ILE 89 0.839 2.866 1.971 738 HA PRO 90 HA PRO 90 2.842 3.665 9.396 739 HB2 PRO 90 2HB PRO 90 2.124 5.895 10.843 740 HB3 PRO 90 1HB PRO 90 3.784 5.613 10.285 741 HG2 PRO 90 2HG PRO 90 1.682 7.389 9.103 742 HG3 PRO 90 1HG PRO 90 3.423 7.689 9.315 743 HD2 PRO 90 2HD PRO 90 2.323 6.917 6.926 744 HD3 PRO 90 1HD PRO 90 3.992 6.530 7.396 745 H LEU 91 H LEU 91 1.125 2.314 9.527 746 HA LEU 91 HA LEU 91 -1.609 3.181 9.145 747 HB2 LEU 91 2HB LEU 91 -0.534 0.526 10.180 748 HB3 LEU 91 1HB LEU 91 -2.206 0.846 9.738 749 HG LEU 91 HG LEU 91 0.190 0.757 7.859 750 HD11 LEU 91 1HD1 LEU 91 -2.244 -1.037 8.048 751 HD12 LEU 91 2HD1 LEU 91 -0.594 -1.444 8.526 752 HD13 LEU 91 3HD1 LEU 91 -0.968 -1.148 6.831 753 HD21 LEU 91 3HD2 LEU 91 -1.404 1.166 6.014 754 HD22 LEU 91 1HD2 LEU 91 -1.272 2.545 7.104 755 HD23 LEU 91 2HD2 LEU 91 -2.681 1.485 7.191 756 H ASP 92 H ASP 92 -2.023 4.694 10.588 757 HA ASP 92 HA ASP 92 -1.253 4.717 13.318 758 HB2 ASP 92 2HB ASP 92 -1.650 6.794 12.080 759 HB3 ASP 92 1HB ASP 92 -3.322 6.346 11.780 760 H LEU 93 H LEU 93 -1.950 2.934 14.420 761 HA LEU 93 HA LEU 93 -4.864 2.351 14.528 762 HB2 LEU 93 2HB LEU 93 -2.534 0.387 14.718 763 HB3 LEU 93 1HB LEU 93 -4.226 -0.033 14.924 764 HG LEU 93 HG LEU 93 -2.893 0.894 12.350 765 HD11 LEU 93 1HD1 LEU 93 -2.377 -1.424 12.926 766 HD12 LEU 93 2HD1 LEU 93 -3.427 -1.353 11.515 767 HD13 LEU 93 3HD1 LEU 93 -4.096 -1.795 13.088 768 HD21 LEU 93 3HD2 LEU 93 -5.063 0.527 11.228 769 HD22 LEU 93 1HD2 LEU 93 -5.153 1.825 12.420 770 HD23 LEU 93 2HD2 LEU 93 -5.827 0.237 12.793 771 H GLY 94 H GLY 94 -3.338 4.190 16.266 772 HA2 GLY 94 2HA GLY 94 -2.920 3.017 18.831 773 HA3 GLY 94 1HA GLY 94 -3.226 4.717 18.510 774 H GLU 95 H GLU 95 -5.389 5.459 18.393 775 HA GLU 95 HA GLU 95 -7.277 4.257 20.163 776 HB2 GLU 95 2HB GLU 95 -7.560 6.592 18.216 777 HB3 GLU 95 1HB GLU 95 -8.811 6.114 19.362 778 HG2 GLU 95 2HG GLU 95 -7.685 7.982 20.310 779 HG3 GLU 95 1HG GLU 95 -7.177 6.571 21.227 780 H ARG 96 H ARG 96 -6.703 4.099 16.731 781 HA ARG 96 HA ARG 96 -9.311 3.374 15.867 782 HB2 ARG 96 2HB ARG 96 -6.657 2.870 14.462 783 HB3 ARG 96 1HB ARG 96 -8.249 2.770 13.720 784 HG2 ARG 96 2HG ARG 96 -6.805 5.246 14.691 785 HG3 ARG 96 1HG ARG 96 -7.318 4.860 13.050 786 HD2 ARG 96 2HD ARG 96 -9.074 5.633 15.400 787 HD3 ARG 96 1HD ARG 96 -8.798 6.546 13.916 788 HE ARG 96 HE ARG 96 -10.093 3.902 13.777 789 HH11 ARG 96 1HH1 ARG 96 -10.451 7.396 13.402 790 HH12 ARG 96 2HH1 ARG 96 -11.971 7.256 12.583 791 HH21 ARG 96 1HH2 ARG 96 -12.094 3.761 12.779 792 HH22 ARG 96 2HH2 ARG 96 -12.897 5.197 12.232 793 H ALA 97 H ALA 97 -6.464 1.378 16.744 794 HA ALA 97 HA ALA 97 -7.859 -1.114 16.215 795 HB1 ALA 97 3HB ALA 97 -5.909 -2.230 17.191 796 HB2 ALA 97 1HB ALA 97 -5.279 -0.677 17.762 797 HB3 ALA 97 2HB ALA 97 -5.402 -1.001 16.033 798 H SER 98 H SER 98 -7.903 1.160 18.735 799 HA SER 98 HA SER 98 -8.546 -0.705 20.882 800 HB2 SER 98 2HB SER 98 -7.069 1.293 21.261 801 HB3 SER 98 1HB SER 98 -8.440 2.347 20.918 802 HG SER 98 HG SER 98 -9.496 1.143 22.713 803 H GLU 99 H GLU 99 -10.284 0.849 18.420 804 HA GLU 99 HA GLU 99 -12.724 1.590 19.605 805 HB2 GLU 99 2HB GLU 99 -12.202 0.430 16.836 806 HB3 GLU 99 1HB GLU 99 -13.712 1.200 17.319 807 HG2 GLU 99 2HG GLU 99 -12.552 3.335 17.640 808 HG3 GLU 99 1HG GLU 99 -11.007 2.582 17.247 809 H TRP 100 H TRP 100 -11.863 -1.518 18.047 810 HA TRP 100 HA TRP 100 -14.328 -2.809 18.783 811 HB2 TRP 100 2HB TRP 100 -13.350 -4.828 17.700 812 HB3 TRP 100 1HB TRP 100 -13.274 -3.402 16.675 813 HD1 TRP 100 HD1 TRP 100 -10.814 -2.359 16.191 814 HE1 TRP 100 HE1 TRP 100 -8.485 -3.426 16.262 815 HE3 TRP 100 HE3 TRP 100 -11.881 -6.511 18.992 816 HZ2 TRP 100 HZ2 TRP 100 -7.240 -5.700 17.348 817 HZ3 TRP 100 HZ3 TRP 100 -10.056 -8.085 19.506 818 HH2 TRP 100 HH2 TRP 100 -7.779 -7.687 18.701 819 H ILE 101 H ILE 101 -11.479 -2.263 20.500 820 HA ILE 101 HA ILE 101 -11.397 -4.544 22.188 821 HB ILE 101 HB ILE 101 -10.147 -1.834 22.163 822 HG12 ILE 101 2HG1 ILE 101 -8.101 -3.106 22.784 823 HG13 ILE 101 1HG1 ILE 101 -9.072 -4.555 23.026 824 HG21 ILE 101 1HG2 ILE 101 -10.415 -3.193 24.854 825 HG22 ILE 101 2HG2 ILE 101 -11.110 -1.639 24.391 826 HG23 ILE 101 3HG2 ILE 101 -9.360 -1.825 24.487 827 HD11 ILE 101 3HD1 ILE 101 -7.870 -4.579 20.907 828 HD12 ILE 101 1HD1 ILE 101 -8.701 -3.106 20.412 829 HD13 ILE 101 2HD1 ILE 101 -9.616 -4.596 20.652 830 H ILE 102 H ILE 102 -13.546 -1.870 21.978 831 HA ILE 102 HA ILE 102 -15.328 -1.113 23.087 832 HB ILE 102 HB ILE 102 -15.366 -3.822 24.491 833 HG12 ILE 102 2HG1 ILE 102 -15.573 -4.072 22.035 834 HG13 ILE 102 1HG1 ILE 102 -17.091 -4.478 22.824 835 HG21 ILE 102 1HG2 ILE 102 -17.570 -1.728 24.321 836 HG22 ILE 102 2HG2 ILE 102 -16.677 -2.190 25.771 837 HG23 ILE 102 3HG2 ILE 102 -17.753 -3.351 24.995 838 HD11 ILE 102 3HD1 ILE 102 -17.476 -3.236 20.789 839 HD12 ILE 102 1HD1 ILE 102 -16.473 -1.906 21.367 840 HD13 ILE 102 2HD1 ILE 102 -17.998 -2.280 22.176 841 H LEU 103 H LEU 103 -14.330 0.536 24.085 842 HA LEU 103 HA LEU 103 -12.844 0.271 26.551 843 HB2 LEU 103 2HB LEU 103 -13.739 2.734 25.003 844 HB3 LEU 103 1HB LEU 103 -12.640 2.756 26.376 845 HG LEU 103 HG LEU 103 -12.076 1.385 23.713 846 HD11 LEU 103 1HD1 LEU 103 -12.087 3.812 23.455 847 HD12 LEU 103 2HD1 LEU 103 -10.452 3.176 23.317 848 HD13 LEU 103 3HD1 LEU 103 -10.958 3.989 24.802 849 HD21 LEU 103 3HD2 LEU 103 -9.781 1.110 24.567 850 HD22 LEU 103 1HD2 LEU 103 -10.955 0.240 25.551 851 HD23 LEU 103 2HD2 LEU 103 -10.277 1.765 26.130 852 H GLU 104 H GLU 104 -13.685 0.387 28.523 853 HA GLU 104 HA GLU 104 -16.421 1.414 28.945 854 HB2 GLU 104 2HB GLU 104 -14.788 -0.530 30.628 855 HB3 GLU 104 1HB GLU 104 -16.411 0.033 31.019 856 HG2 GLU 104 2HG GLU 104 -17.251 -1.015 28.911 857 HG3 GLU 104 1HG GLU 104 -15.627 -1.630 28.601 Start of MODEL 3 1 H1 MET 1 1H MET 1 -12.056 -1.074 1.603 2 H2 MET 1 2H MET 1 -13.389 -1.100 0.565 3 H3 MET 1 3H MET 1 -12.911 0.352 1.290 4 HA MET 1 HA MET 1 -12.268 0.244 -1.033 5 HB2 MET 1 2HB MET 1 -10.901 1.602 0.509 6 HB3 MET 1 1HB MET 1 -9.960 0.191 0.972 7 HG2 MET 1 2HG MET 1 -9.017 0.049 -1.276 8 HG3 MET 1 1HG MET 1 -10.030 1.386 -1.806 9 HE1 MET 1 3HE MET 1 -6.977 0.341 0.475 10 HE2 MET 1 1HE MET 1 -8.069 1.091 1.642 11 HE3 MET 1 2HE MET 1 -6.558 1.890 1.209 12 H THR 2 H THR 2 -12.150 -1.306 -2.575 13 HA THR 2 HA THR 2 -11.033 -3.927 -2.135 14 HB THR 2 HB THR 2 -11.440 -4.247 -4.598 15 HG1 THR 2 HG1 THR 2 -12.897 -2.121 -5.182 16 HG21 THR 2 3HG2 THR 2 -13.280 -4.722 -3.041 17 HG22 THR 2 1HG2 THR 2 -13.890 -4.045 -4.552 18 HG23 THR 2 2HG2 THR 2 -13.789 -3.032 -3.112 19 H GLY 3 H GLY 3 -9.311 -4.816 -3.620 20 HA2 GLY 3 2HA GLY 3 -6.884 -3.348 -3.640 21 HA3 GLY 3 1HA GLY 3 -7.185 -4.853 -4.498 22 H GLN 4 H GLN 4 -9.484 -3.622 -5.936 23 HA GLN 4 HA GLN 4 -8.321 -2.471 -8.221 24 HB2 GLN 4 2HB GLN 4 -10.524 -3.480 -8.361 25 HB3 GLN 4 1HB GLN 4 -11.166 -2.395 -7.132 26 HG2 GLN 4 2HG GLN 4 -10.946 -0.493 -8.670 27 HG3 GLN 4 1HG GLN 4 -10.252 -1.555 -9.900 28 HE21 GLN 4 1HE2 GLN 4 -11.919 -1.047 -11.373 29 HE22 GLN 4 2HE2 GLN 4 -13.530 -1.644 -11.178 30 H GLU 5 H GLU 5 -10.153 -0.939 -5.532 31 HA GLU 5 HA GLU 5 -9.810 1.747 -6.392 32 HB2 GLU 5 2HB GLU 5 -10.444 0.661 -3.616 33 HB3 GLU 5 1HB GLU 5 -10.628 2.341 -4.112 34 HG2 GLU 5 2HG GLU 5 -12.353 1.682 -5.743 35 HG3 GLU 5 1HG GLU 5 -12.141 -0.007 -5.280 36 H LEU 6 H LEU 6 -7.983 -0.309 -4.207 37 HA LEU 6 HA LEU 6 -6.187 1.564 -3.108 38 HB2 LEU 6 2HB LEU 6 -6.502 -0.683 -2.164 39 HB3 LEU 6 1HB LEU 6 -5.892 -1.421 -3.635 40 HG LEU 6 HG LEU 6 -3.630 -0.465 -3.163 41 HD11 LEU 6 1HD1 LEU 6 -4.809 0.487 -0.535 42 HD12 LEU 6 2HD1 LEU 6 -4.233 1.505 -1.858 43 HD13 LEU 6 3HD1 LEU 6 -3.095 0.495 -0.971 44 HD21 LEU 6 3HD2 LEU 6 -4.141 -2.747 -2.474 45 HD22 LEU 6 1HD2 LEU 6 -4.769 -2.172 -0.927 46 HD23 LEU 6 2HD2 LEU 6 -3.055 -1.988 -1.314 47 H ARG 7 H ARG 7 -5.985 -0.543 -5.970 48 HA ARG 7 HA ARG 7 -3.426 0.274 -6.890 49 HB2 ARG 7 2HB ARG 7 -4.540 -1.826 -7.608 50 HB3 ARG 7 1HB ARG 7 -5.759 -0.894 -8.469 51 HG2 ARG 7 2HG ARG 7 -3.982 0.010 -9.956 52 HG3 ARG 7 1HG ARG 7 -2.790 -0.979 -9.111 53 HD2 ARG 7 2HD ARG 7 -3.977 -3.025 -9.834 54 HD3 ARG 7 1HD ARG 7 -5.180 -2.033 -10.666 55 HE ARG 7 HE ARG 7 -2.822 -1.223 -11.738 56 HH11 ARG 7 1HH1 ARG 7 -4.344 -4.397 -11.420 57 HH12 ARG 7 2HH1 ARG 7 -3.590 -5.009 -12.860 58 HH21 ARG 7 1HH2 ARG 7 -1.851 -2.042 -13.573 59 HH22 ARG 7 2HH2 ARG 7 -2.178 -3.675 -14.077 60 H GLN 8 H GLN 8 -6.728 1.357 -7.631 61 HA GLN 8 HA GLN 8 -6.096 3.159 -9.727 62 HB2 GLN 8 2HB GLN 8 -8.511 2.903 -7.895 63 HB3 GLN 8 1HB GLN 8 -8.409 4.169 -9.110 64 HG2 GLN 8 2HG GLN 8 -8.314 1.197 -9.691 65 HG3 GLN 8 1HG GLN 8 -9.732 2.226 -9.855 66 HE21 GLN 8 1HE2 GLN 8 -8.292 4.499 -11.014 67 HE22 GLN 8 2HE2 GLN 8 -7.843 4.027 -12.612 68 H LEU 9 H LEU 9 -6.061 3.455 -6.247 69 HA LEU 9 HA LEU 9 -5.825 6.282 -6.019 70 HB2 LEU 9 2HB LEU 9 -6.409 4.734 -4.144 71 HB3 LEU 9 1HB LEU 9 -4.788 4.065 -4.205 72 HG LEU 9 HG LEU 9 -3.883 6.324 -3.541 73 HD11 LEU 9 1HD1 LEU 9 -5.396 8.006 -2.587 74 HD12 LEU 9 2HD1 LEU 9 -6.792 7.060 -3.112 75 HD13 LEU 9 3HD1 LEU 9 -5.698 7.760 -4.307 76 HD21 LEU 9 3HD2 LEU 9 -4.187 4.556 -1.876 77 HD22 LEU 9 1HD2 LEU 9 -5.851 5.078 -1.594 78 HD23 LEU 9 2HD2 LEU 9 -4.503 6.139 -1.172 79 H LEU 10 H LEU 10 -3.500 3.651 -6.495 80 HA LEU 10 HA LEU 10 -1.107 5.255 -6.347 81 HB2 LEU 10 2HB LEU 10 -1.360 2.544 -7.712 82 HB3 LEU 10 1HB LEU 10 0.077 3.258 -6.999 83 HG LEU 10 HG LEU 10 -2.333 2.205 -5.475 84 HD11 LEU 10 1HD1 LEU 10 -0.995 0.406 -6.430 85 HD12 LEU 10 2HD1 LEU 10 -0.836 0.437 -4.676 86 HD13 LEU 10 3HD1 LEU 10 0.466 1.068 -5.691 87 HD21 LEU 10 3HD2 LEU 10 0.231 3.373 -4.363 88 HD22 LEU 10 1HD2 LEU 10 -1.047 2.602 -3.421 89 HD23 LEU 10 2HD2 LEU 10 -1.373 4.105 -4.281 90 H LEU 11 H LEU 11 -3.269 4.125 -8.875 91 HA LEU 11 HA LEU 11 -1.735 4.972 -11.149 92 HB2 LEU 11 2HB LEU 11 -4.696 4.277 -10.887 93 HB3 LEU 11 1HB LEU 11 -3.876 4.558 -12.415 94 HG LEU 11 HG LEU 11 -3.233 2.295 -10.485 95 HD11 LEU 11 1HD1 LEU 11 -4.224 0.798 -12.145 96 HD12 LEU 11 2HD1 LEU 11 -4.685 2.179 -13.143 97 HD13 LEU 11 3HD1 LEU 11 -5.409 1.959 -11.548 98 HD21 LEU 11 3HD2 LEU 11 -2.131 2.854 -13.247 99 HD22 LEU 11 1HD2 LEU 11 -1.807 1.421 -12.273 100 HD23 LEU 11 2HD2 LEU 11 -1.257 2.997 -11.720 101 H ASP 12 H ASP 12 -4.138 6.433 -9.089 102 HA ASP 12 HA ASP 12 -4.665 8.737 -10.735 103 HB2 ASP 12 2HB ASP 12 -6.375 7.984 -9.164 104 HB3 ASP 12 1HB ASP 12 -5.270 8.126 -7.802 105 H LYS 13 H LYS 13 -2.709 8.023 -7.863 106 HA LYS 13 HA LYS 13 -1.852 10.730 -7.471 107 HB2 LYS 13 2HB LYS 13 -2.152 9.139 -5.582 108 HB3 LYS 13 1HB LYS 13 -0.823 8.158 -6.197 109 HG2 LYS 13 2HG LYS 13 -0.050 9.534 -4.346 110 HG3 LYS 13 1HG LYS 13 0.736 10.046 -5.841 111 HD2 LYS 13 2HD LYS 13 -0.960 11.897 -6.020 112 HD3 LYS 13 1HD LYS 13 -1.586 11.416 -4.441 113 HE2 LYS 13 2HE LYS 13 0.643 11.879 -3.449 114 HE3 LYS 13 1HE LYS 13 1.216 12.416 -5.031 115 HZ1 LYS 13 3HZ LYS 13 0.527 14.262 -3.602 116 HZ2 LYS 13 1HZ LYS 13 -1.042 13.639 -3.531 117 HZ3 LYS 13 2HZ LYS 13 -0.414 14.182 -5.001 118 H TRP 14 H TRP 14 0.008 7.746 -8.247 119 HA TRP 14 HA TRP 14 2.241 9.447 -9.195 120 HB2 TRP 14 2HB TRP 14 2.289 6.552 -8.273 121 HB3 TRP 14 1HB TRP 14 3.690 7.521 -8.712 122 HD1 TRP 14 HD1 TRP 14 3.574 10.032 -7.031 123 HE1 TRP 14 HE1 TRP 14 3.564 10.002 -4.462 124 HE3 TRP 14 HE3 TRP 14 1.858 5.272 -6.264 125 HZ2 TRP 14 HZ2 TRP 14 2.907 8.227 -2.381 126 HZ3 TRP 14 HZ3 TRP 14 1.579 4.485 -3.951 127 HH2 TRP 14 HH2 TRP 14 2.090 5.927 -2.048 128 H GLY 15 H GLY 15 -0.153 7.261 -10.298 129 HA2 GLY 15 2HA GLY 15 -0.782 6.922 -12.500 130 HA3 GLY 15 1HA GLY 15 0.718 7.646 -13.036 131 H TYR 16 H TYR 16 1.065 5.080 -10.763 132 HA TYR 16 HA TYR 16 1.509 3.056 -12.860 133 HB2 TYR 16 2HB TYR 16 3.595 3.849 -10.783 134 HB3 TYR 16 1HB TYR 16 3.697 2.403 -11.776 135 HD1 TYR 16 HD1 TYR 16 3.837 2.691 -14.316 136 HD2 TYR 16 HD2 TYR 16 4.442 5.932 -11.602 137 HE1 TYR 16 HE1 TYR 16 5.002 3.950 -16.082 138 HE2 TYR 16 HE2 TYR 16 5.609 7.190 -13.365 139 HH TYR 16 HH TYR 16 5.501 6.346 -16.617 140 H SER 17 H SER 17 1.480 0.918 -12.140 141 HA SER 17 HA SER 17 -0.180 0.461 -9.787 142 HB2 SER 17 2HB SER 17 0.824 -1.524 -11.879 143 HB3 SER 17 1HB SER 17 -0.467 -1.794 -10.706 144 HG SER 17 HG SER 17 -0.474 0.120 -12.804 145 H TYR 18 H TYR 18 1.702 1.183 -8.388 146 HA TYR 18 HA TYR 18 4.044 -0.434 -8.105 147 HB2 TYR 18 2HB TYR 18 2.757 1.547 -6.180 148 HB3 TYR 18 1HB TYR 18 4.329 0.799 -5.922 149 HD1 TYR 18 HD1 TYR 18 6.205 1.286 -7.599 150 HD2 TYR 18 HD2 TYR 18 2.574 3.529 -7.506 151 HE1 TYR 18 HE1 TYR 18 7.308 3.117 -8.809 152 HE2 TYR 18 HE2 TYR 18 3.681 5.343 -8.721 153 HH TYR 18 HH TYR 18 6.710 5.018 -10.220 154 H ASP 19 H ASP 19 4.535 -2.039 -6.595 155 HA ASP 19 HA ASP 19 2.367 -3.538 -5.421 156 HB2 ASP 19 2HB ASP 19 4.567 -4.528 -6.285 157 HB3 ASP 19 1HB ASP 19 5.350 -3.873 -4.850 158 H VAL 20 H VAL 20 1.693 -3.481 -3.298 159 HA VAL 20 HA VAL 20 3.041 -1.579 -1.453 160 HB VAL 20 HB VAL 20 0.747 -1.451 -0.303 161 HG11 VAL 20 1HG1 VAL 20 -0.146 0.242 -1.864 162 HG12 VAL 20 2HG1 VAL 20 0.919 -0.353 -3.140 163 HG13 VAL 20 3HG1 VAL 20 1.602 0.391 -1.693 164 HG21 VAL 20 3HG2 VAL 20 -0.233 -2.709 -2.902 165 HG22 VAL 20 1HG2 VAL 20 -1.262 -2.004 -1.651 166 HG23 VAL 20 2HG2 VAL 20 -0.307 -3.444 -1.301 167 H GLN 21 H GLN 21 3.865 -2.430 0.365 168 HA GLN 21 HA GLN 21 3.454 -5.330 0.900 169 HB2 GLN 21 2HB GLN 21 5.679 -4.887 -0.082 170 HB3 GLN 21 1HB GLN 21 6.003 -3.655 1.133 171 HG2 GLN 21 2HG GLN 21 5.757 -5.529 2.884 172 HG3 GLN 21 1HG GLN 21 5.817 -6.658 1.537 173 HE21 GLN 21 1HE2 GLN 21 7.721 -3.672 1.796 174 HE22 GLN 21 2HE2 GLN 21 9.249 -4.461 1.946 175 H PHE 22 H PHE 22 2.693 -5.764 2.897 176 HA PHE 22 HA PHE 22 2.809 -3.939 5.106 177 HB2 PHE 22 2HB PHE 22 2.087 -6.889 4.891 178 HB3 PHE 22 1HB PHE 22 2.115 -6.042 6.435 179 HD1 PHE 22 HD1 PHE 22 0.901 -3.530 6.108 180 HD2 PHE 22 HD2 PHE 22 -0.123 -7.186 4.142 181 HE1 PHE 22 HE1 PHE 22 -1.395 -2.721 5.794 182 HE2 PHE 22 HE2 PHE 22 -2.416 -6.364 3.840 183 HZ PHE 22 HZ PHE 22 -3.056 -4.135 4.658 184 H ARG 23 H ARG 23 4.390 -3.653 6.543 185 HA ARG 23 HA ARG 23 6.511 -5.682 6.861 186 HB2 ARG 23 2HB ARG 23 7.115 -3.623 5.303 187 HB3 ARG 23 1HB ARG 23 7.214 -2.723 6.811 188 HG2 ARG 23 2HG ARG 23 9.435 -3.450 6.236 189 HG3 ARG 23 1HG ARG 23 8.914 -4.408 7.624 190 HD2 ARG 23 2HD ARG 23 8.241 -6.234 5.997 191 HD3 ARG 23 1HD ARG 23 8.993 -5.282 4.712 192 HE ARG 23 HE ARG 23 10.732 -5.860 6.956 193 HH11 ARG 23 1HH1 ARG 23 9.572 -7.062 3.841 194 HH12 ARG 23 2HH1 ARG 23 10.941 -8.098 3.603 195 HH21 ARG 23 1HH2 ARG 23 12.497 -7.260 6.630 196 HH22 ARG 23 2HH2 ARG 23 12.598 -8.210 5.178 197 H ARG 24 H ARG 24 6.645 -6.203 8.943 198 HA ARG 24 HA ARG 24 5.261 -4.537 10.940 199 HB2 ARG 24 2HB ARG 24 6.115 -7.456 11.105 200 HB3 ARG 24 1HB ARG 24 5.106 -6.598 12.268 201 HG2 ARG 24 2HG ARG 24 3.427 -6.245 10.377 202 HG3 ARG 24 1HG ARG 24 4.404 -7.359 9.416 203 HD2 ARG 24 2HD ARG 24 2.507 -8.515 10.455 204 HD3 ARG 24 1HD ARG 24 4.035 -9.135 11.089 205 HE ARG 24 HE ARG 24 3.587 -7.477 12.985 206 HH11 ARG 24 1HH1 ARG 24 1.006 -9.226 11.328 207 HH12 ARG 24 2HH1 ARG 24 -0.055 -9.183 12.703 208 HH21 ARG 24 1HH2 ARG 24 2.208 -7.423 14.756 209 HH22 ARG 24 2HH2 ARG 24 0.637 -8.156 14.656 210 H THR 25 H THR 25 6.564 -3.227 12.063 211 HA THR 25 HA THR 25 8.941 -4.355 13.379 212 HB THR 25 HB THR 25 9.873 -3.118 11.446 213 HG1 THR 25 HG1 THR 25 11.235 -2.991 13.122 214 HG21 THR 25 3HG2 THR 25 8.105 -1.443 11.083 215 HG22 THR 25 1HG2 THR 25 9.687 -0.679 11.248 216 HG23 THR 25 2HG2 THR 25 8.545 -0.640 12.592 217 H GLN 26 H GLN 26 9.195 -3.699 15.450 218 HA GLN 26 HA GLN 26 8.897 -2.774 17.490 219 HB2 GLN 26 2HB GLN 26 7.292 -0.485 16.293 220 HB3 GLN 26 1HB GLN 26 8.216 -0.489 17.785 221 HG2 GLN 26 2HG GLN 26 9.308 -0.481 14.966 222 HG3 GLN 26 1HG GLN 26 9.348 0.848 16.117 223 HE21 GLN 26 1HE2 GLN 26 11.510 -0.479 14.661 224 HE22 GLN 26 2HE2 GLN 26 12.628 -1.023 15.865 225 H GLY 27 H GLY 27 6.822 -4.522 16.134 226 HA2 GLY 27 2HA GLY 27 4.846 -5.542 16.816 227 HA3 GLY 27 1HA GLY 27 4.652 -4.327 18.073 228 H LYS 28 H LYS 28 5.273 -2.693 15.291 229 HA LYS 28 HA LYS 28 2.446 -1.957 14.948 230 HB2 LYS 28 2HB LYS 28 4.948 -0.442 14.078 231 HB3 LYS 28 1HB LYS 28 3.303 0.184 14.149 232 HG2 LYS 28 2HG LYS 28 3.327 0.197 16.556 233 HG3 LYS 28 1HG LYS 28 4.837 -0.720 16.599 234 HD2 LYS 28 2HD LYS 28 6.026 1.192 15.550 235 HD3 LYS 28 1HD LYS 28 4.521 2.119 15.535 236 HE2 LYS 28 2HE LYS 28 5.918 1.090 18.030 237 HE3 LYS 28 1HE LYS 28 5.990 2.746 17.425 238 HZ1 LYS 28 3HZ LYS 28 3.613 2.932 17.727 239 HZ2 LYS 28 1HZ LYS 28 4.351 2.500 19.185 240 HZ3 LYS 28 2HZ LYS 28 3.524 1.340 18.276 241 H ILE 29 H ILE 29 1.880 -1.239 12.669 242 HA ILE 29 HA ILE 29 3.169 -2.962 10.634 243 HB ILE 29 HB ILE 29 0.978 -3.877 11.284 244 HG12 ILE 29 2HG1 ILE 29 -0.054 -4.043 9.017 245 HG13 ILE 29 1HG1 ILE 29 0.938 -2.693 8.469 246 HG21 ILE 29 1HG2 ILE 29 -1.137 -2.699 10.850 247 HG22 ILE 29 2HG2 ILE 29 -0.239 -1.250 10.395 248 HG23 ILE 29 3HG2 ILE 29 -0.149 -1.857 12.049 249 HD11 ILE 29 3HD1 ILE 29 2.963 -4.032 8.842 250 HD12 ILE 29 1HD1 ILE 29 1.840 -4.830 7.743 251 HD13 ILE 29 2HD1 ILE 29 1.965 -5.374 9.411 252 H PHE 30 H PHE 30 3.817 -2.023 8.835 253 HA PHE 30 HA PHE 30 3.058 0.765 8.156 254 HB2 PHE 30 2HB PHE 30 5.862 -0.463 8.111 255 HB3 PHE 30 1HB PHE 30 5.456 1.126 7.467 256 HD1 PHE 30 HD2 PHE 30 5.797 -0.865 10.588 257 HD2 PHE 30 HD1 PHE 30 5.181 3.036 8.945 258 HE1 PHE 30 HE2 PHE 30 6.181 0.136 12.804 259 HE2 PHE 30 HE1 PHE 30 5.562 4.020 11.167 260 HZ PHE 30 HZ PHE 30 6.062 2.577 13.097 261 H LEU 31 H LEU 31 2.321 0.906 6.097 262 HA LEU 31 HA LEU 31 2.687 -1.360 4.268 263 HB2 LEU 31 2HB LEU 31 0.394 -0.345 4.625 264 HB3 LEU 31 1HB LEU 31 0.975 1.136 3.876 265 HG LEU 31 HG LEU 31 1.439 -0.171 1.759 266 HD11 LEU 31 1HD1 LEU 31 0.002 -2.425 3.179 267 HD12 LEU 31 2HD1 LEU 31 1.706 -2.390 2.721 268 HD13 LEU 31 3HD1 LEU 31 0.464 -2.399 1.474 269 HD21 LEU 31 3HD2 LEU 31 -0.896 -0.333 1.011 270 HD22 LEU 31 1HD2 LEU 31 -0.635 1.130 1.966 271 HD23 LEU 31 2HD2 LEU 31 -1.452 -0.259 2.686 272 H GLN 32 H GLN 32 4.726 -1.197 3.449 273 HA GLN 32 HA GLN 32 5.878 1.284 2.468 274 HB2 GLN 32 2HB GLN 32 6.889 -1.594 2.371 275 HB3 GLN 32 1HB GLN 32 7.830 -0.178 1.907 276 HG2 GLN 32 2HG GLN 32 7.767 0.644 4.221 277 HG3 GLN 32 1HG GLN 32 6.785 -0.746 4.699 278 HE21 GLN 32 1HE2 GLN 32 9.466 0.055 5.637 279 HE22 GLN 32 2HE2 GLN 32 10.488 -1.297 5.328 280 H VAL 33 H VAL 33 4.991 1.974 0.596 281 HA VAL 33 HA VAL 33 4.177 0.300 -1.578 282 HB VAL 33 HB VAL 33 4.826 3.285 -1.686 283 HG11 VAL 33 1HG1 VAL 33 3.258 3.308 -3.604 284 HG12 VAL 33 2HG1 VAL 33 3.041 1.564 -3.452 285 HG13 VAL 33 3HG1 VAL 33 4.618 2.219 -3.893 286 HG21 VAL 33 3HG2 VAL 33 2.432 3.710 -1.247 287 HG22 VAL 33 1HG2 VAL 33 3.193 2.878 0.112 288 HG23 VAL 33 2HG2 VAL 33 2.159 1.983 -1.005 289 H MET 34 H MET 34 5.699 -0.908 -2.511 290 HA MET 34 HA MET 34 8.452 -0.385 -2.809 291 HB2 MET 34 2HB MET 34 6.664 -2.247 -4.433 292 HB3 MET 34 1HB MET 34 8.421 -2.301 -4.417 293 HG2 MET 34 2HG MET 34 6.689 -2.796 -1.986 294 HG3 MET 34 1HG MET 34 7.304 -4.063 -3.042 295 HE1 MET 34 3HE MET 34 9.662 -1.833 0.215 296 HE2 MET 34 1HE MET 34 7.913 -2.044 0.126 297 HE3 MET 34 2HE MET 34 8.719 -0.889 -0.937 298 H TRP 35 H TRP 35 9.667 0.269 -4.537 299 HA TRP 35 HA TRP 35 8.616 2.176 -6.390 300 HB2 TRP 35 2HB TRP 35 11.035 2.207 -7.230 301 HB3 TRP 35 1HB TRP 35 10.790 2.630 -5.542 302 HD1 TRP 35 HD1 TRP 35 12.393 -0.088 -7.735 303 HE1 TRP 35 HE1 TRP 35 13.896 -1.554 -6.246 304 HE3 TRP 35 HE3 TRP 35 11.059 1.746 -3.137 305 HZ2 TRP 35 HZ2 TRP 35 14.450 -1.886 -3.509 306 HZ3 TRP 35 HZ3 TRP 35 12.119 0.792 -1.133 307 HH2 TRP 35 HH2 TRP 35 13.783 -0.989 -1.316 308 H LYS 36 H LYS 36 8.878 -1.202 -6.496 309 HA LYS 36 HA LYS 36 9.093 -1.397 -9.387 310 HB2 LYS 36 2HB LYS 36 8.569 -3.564 -7.311 311 HB3 LYS 36 1HB LYS 36 8.925 -3.828 -9.022 312 HG2 LYS 36 2HG LYS 36 11.133 -2.677 -8.697 313 HG3 LYS 36 1HG LYS 36 10.786 -2.583 -6.969 314 HD2 LYS 36 2HD LYS 36 10.715 -5.052 -6.858 315 HD3 LYS 36 1HD LYS 36 11.064 -5.139 -8.588 316 HE2 LYS 36 2HE LYS 36 13.230 -4.001 -8.194 317 HE3 LYS 36 1HE LYS 36 12.878 -3.947 -6.464 318 HZ1 LYS 36 3HZ LYS 36 13.146 -6.424 -8.077 319 HZ2 LYS 36 1HZ LYS 36 12.885 -6.351 -6.412 320 HZ3 LYS 36 2HZ LYS 36 14.339 -5.786 -7.069 321 H TYR 37 H TYR 37 7.457 -1.304 -10.671 322 HA TYR 37 HA TYR 37 4.687 -1.582 -9.696 323 HB2 TYR 37 2HB TYR 37 4.160 0.136 -11.543 324 HB3 TYR 37 1HB TYR 37 4.957 0.741 -10.106 325 HD1 TYR 37 HD1 TYR 37 7.353 1.481 -10.211 326 HD2 TYR 37 HD2 TYR 37 5.268 0.229 -13.707 327 HE1 TYR 37 HE1 TYR 37 9.049 2.572 -11.613 328 HE2 TYR 37 HE2 TYR 37 6.961 1.311 -15.108 329 HH TYR 37 HH TYR 37 8.633 3.102 -14.933 330 H LEU 38 H LEU 38 3.126 -2.104 -11.509 331 HA LEU 38 HA LEU 38 3.923 -4.684 -12.420 332 HB2 LEU 38 2HB LEU 38 1.615 -4.107 -11.600 333 HB3 LEU 38 1HB LEU 38 1.353 -3.197 -13.081 334 HG LEU 38 HG LEU 38 1.682 -5.313 -14.400 335 HD11 LEU 38 1HD1 LEU 38 1.658 -7.486 -13.283 336 HD12 LEU 38 2HD1 LEU 38 1.723 -6.701 -11.704 337 HD13 LEU 38 3HD1 LEU 38 3.079 -6.551 -12.826 338 HD21 LEU 38 3HD2 LEU 38 -0.497 -6.299 -13.926 339 HD22 LEU 38 1HD2 LEU 38 -0.587 -4.540 -13.839 340 HD23 LEU 38 2HD2 LEU 38 -0.554 -5.496 -12.356 341 H GLU 39 H GLU 39 3.902 -1.598 -13.930 342 HA GLU 39 HA GLU 39 3.723 -2.370 -16.671 343 HB2 GLU 39 2HB GLU 39 4.940 0.139 -15.436 344 HB3 GLU 39 1HB GLU 39 4.643 -0.081 -17.145 345 HG2 GLU 39 2HG GLU 39 2.924 1.336 -16.301 346 HG3 GLU 39 1HG GLU 39 2.181 -0.221 -16.642 347 H GLN 40 H GLN 40 6.184 -2.850 -14.372 348 HA GLN 40 HA GLN 40 8.410 -2.980 -16.272 349 HB2 GLN 40 2HB GLN 40 8.300 -3.625 -13.294 350 HB3 GLN 40 1HB GLN 40 9.762 -3.662 -14.273 351 HG2 GLN 40 2HG GLN 40 8.072 -1.221 -13.677 352 HG3 GLN 40 1HG GLN 40 9.636 -1.601 -12.964 353 HE21 GLN 40 1HE2 GLN 40 7.995 -0.495 -15.856 354 HE22 GLN 40 2HE2 GLN 40 9.408 0.057 -16.682 355 H ALA 41 H ALA 41 9.192 -4.804 -17.169 356 HA ALA 41 HA ALA 41 7.932 -7.383 -16.909 357 HB1 ALA 41 3HB ALA 41 9.659 -8.129 -18.510 358 HB2 ALA 41 1HB ALA 41 10.519 -6.598 -18.305 359 HB3 ALA 41 2HB ALA 41 8.915 -6.620 -19.040 360 H SER 42 H SER 42 10.502 -5.746 -15.298 361 HA SER 42 HA SER 42 12.000 -8.002 -14.340 362 HB2 SER 42 2HB SER 42 12.992 -5.739 -14.660 363 HB3 SER 42 1HB SER 42 11.964 -5.104 -13.380 364 HG SER 42 HG SER 42 13.313 -7.247 -12.480 365 H PHE 43 H PHE 43 8.955 -6.880 -13.517 366 HA PHE 43 HA PHE 43 8.884 -7.085 -10.696 367 HB2 PHE 43 2HB PHE 43 7.143 -6.073 -12.423 368 HB3 PHE 43 1HB PHE 43 6.495 -7.704 -12.488 369 HD1 PHE 43 HD1 PHE 43 7.245 -4.871 -10.197 370 HD2 PHE 43 HD2 PHE 43 4.961 -8.458 -10.740 371 HE1 PHE 43 HE1 PHE 43 5.925 -4.349 -8.199 372 HE2 PHE 43 HE2 PHE 43 3.650 -7.909 -8.735 373 HZ PHE 43 HZ PHE 43 4.140 -5.858 -7.465 374 HA PRO 44 HA PRO 44 9.630 -11.561 -10.671 375 HB2 PRO 44 2HB PRO 44 9.561 -12.049 -7.996 376 HB3 PRO 44 1HB PRO 44 10.862 -11.083 -8.725 377 HG2 PRO 44 2HG PRO 44 8.363 -10.124 -7.356 378 HG3 PRO 44 1HG PRO 44 10.044 -9.606 -7.099 379 HD2 PRO 44 2HD PRO 44 8.348 -8.181 -8.661 380 HD3 PRO 44 1HD PRO 44 10.084 -8.295 -9.033 381 H MET 45 H MET 45 6.682 -10.164 -9.955 382 HA MET 45 HA MET 45 5.257 -12.740 -9.629 383 HB2 MET 45 2HB MET 45 4.449 -9.908 -8.823 384 HB3 MET 45 1HB MET 45 3.411 -11.318 -8.673 385 HG2 MET 45 2HG MET 45 4.665 -12.207 -6.899 386 HG3 MET 45 1HG MET 45 6.091 -11.250 -7.298 387 HE1 MET 45 3HE MET 45 2.308 -9.222 -5.585 388 HE2 MET 45 1HE MET 45 2.310 -10.904 -6.125 389 HE3 MET 45 2HE MET 45 2.528 -9.598 -7.296 390 H ASN 46 H ASN 46 3.368 -13.010 -10.889 391 HA ASN 46 HA ASN 46 3.263 -11.667 -13.459 392 HB2 ASN 46 2HB ASN 46 1.424 -13.771 -12.222 393 HB3 ASN 46 1HB ASN 46 1.358 -13.229 -13.899 394 HD21 ASN 46 1HD2 ASN 46 1.999 -15.881 -12.558 395 HD22 ASN 46 2HD2 ASN 46 3.477 -16.378 -13.305 396 H GLU 47 H GLU 47 0.917 -11.041 -14.190 397 HA GLU 47 HA GLU 47 0.250 -8.677 -12.756 398 HB2 GLU 47 2HB GLU 47 -1.260 -9.988 -15.054 399 HB3 GLU 47 1HB GLU 47 -1.424 -8.315 -14.521 400 HG2 GLU 47 2HG GLU 47 0.916 -7.870 -15.172 401 HG3 GLU 47 1HG GLU 47 1.092 -9.544 -15.700 402 H THR 48 H THR 48 -1.236 -11.857 -12.982 403 HA THR 48 HA THR 48 -3.647 -11.269 -11.574 404 HB THR 48 HB THR 48 -2.261 -13.984 -11.883 405 HG1 THR 48 HG1 THR 48 -2.894 -12.669 -13.860 406 HG21 THR 48 3HG2 THR 48 -4.075 -13.980 -10.174 407 HG22 THR 48 1HG2 THR 48 -4.525 -14.924 -11.596 408 HG23 THR 48 2HG2 THR 48 -5.191 -13.307 -11.364 409 H GLU 49 H GLU 49 -0.493 -12.626 -10.624 410 HA GLU 49 HA GLU 49 -0.984 -13.201 -7.928 411 HB2 GLU 49 2HB GLU 49 1.684 -12.200 -9.013 412 HB3 GLU 49 1HB GLU 49 1.426 -13.244 -7.621 413 HG2 GLU 49 2HG GLU 49 0.973 -13.970 -10.522 414 HG3 GLU 49 1HG GLU 49 2.302 -14.505 -9.503 415 H TYR 50 H TYR 50 0.172 -10.259 -9.495 416 HA TYR 50 HA TYR 50 0.507 -8.637 -7.202 417 HB2 TYR 50 2HB TYR 50 1.650 -7.970 -9.191 418 HB3 TYR 50 1HB TYR 50 0.184 -8.032 -10.166 419 HD1 TYR 50 HD1 TYR 50 1.643 -6.188 -7.223 420 HD2 TYR 50 HD2 TYR 50 -0.931 -6.008 -10.632 421 HE1 TYR 50 HE1 TYR 50 1.214 -3.810 -6.791 422 HE2 TYR 50 HE2 TYR 50 -1.347 -3.634 -10.197 423 HH TYR 50 HH TYR 50 0.401 -1.844 -7.835 424 H GLN 51 H GLN 51 -2.251 -9.131 -9.397 425 HA GLN 51 HA GLN 51 -3.868 -7.017 -8.402 426 HB2 GLN 51 2HB GLN 51 -4.121 -8.052 -10.668 427 HB3 GLN 51 1HB GLN 51 -4.741 -9.517 -9.916 428 HG2 GLN 51 2HG GLN 51 -6.570 -8.162 -10.818 429 HG3 GLN 51 1HG GLN 51 -6.685 -8.276 -9.063 430 HE21 GLN 51 1HE2 GLN 51 -7.983 -6.405 -8.947 431 HE22 GLN 51 2HE2 GLN 51 -7.334 -4.823 -9.192 432 H GLU 52 H GLU 52 -3.589 -10.443 -7.540 433 HA GLU 52 HA GLU 52 -5.753 -10.475 -5.646 434 HB2 GLU 52 2HB GLU 52 -3.357 -12.364 -5.789 435 HB3 GLU 52 1HB GLU 52 -4.869 -12.658 -4.937 436 HG2 GLU 52 2HG GLU 52 -4.427 -12.550 -7.924 437 HG3 GLU 52 1HG GLU 52 -4.875 -13.943 -6.950 438 H HIS 53 H HIS 53 -2.270 -9.909 -5.518 439 HA HIS 53 HA HIS 53 -1.841 -9.805 -2.745 440 HB2 HIS 53 2HB HIS 53 0.037 -9.871 -4.317 441 HB3 HIS 53 1HB HIS 53 -0.423 -8.318 -5.001 442 HD1 HIS 53 HD1 HIS 53 1.134 -9.833 -1.912 443 HD2 HIS 53 HD2 HIS 53 0.572 -6.099 -3.640 444 HE1 HIS 53 HE1 HIS 53 2.576 -8.254 -0.600 445 HE2 HIS 53 HE2 HIS 53 2.422 -6.085 -1.842 446 H LEU 54 H LEU 54 -2.859 -7.299 -5.030 447 HA LEU 54 HA LEU 54 -2.935 -5.037 -3.387 448 HB2 LEU 54 2HB LEU 54 -4.659 -5.874 -5.740 449 HB3 LEU 54 1HB LEU 54 -4.798 -4.288 -4.998 450 HG LEU 54 HG LEU 54 -2.221 -5.314 -6.231 451 HD11 LEU 54 1HD1 LEU 54 -4.403 -3.623 -7.490 452 HD12 LEU 54 2HD1 LEU 54 -3.915 -5.255 -7.960 453 HD13 LEU 54 3HD1 LEU 54 -2.806 -3.908 -8.180 454 HD21 LEU 54 3HD2 LEU 54 -1.916 -3.517 -4.581 455 HD22 LEU 54 1HD2 LEU 54 -3.099 -2.513 -5.427 456 HD23 LEU 54 2HD2 LEU 54 -1.573 -2.936 -6.208 457 H ASP 55 H ASP 55 -5.487 -7.419 -4.096 458 HA ASP 55 HA ASP 55 -7.464 -6.076 -2.483 459 HB2 ASP 55 2HB ASP 55 -7.908 -7.386 -4.633 460 HB3 ASP 55 1HB ASP 55 -7.669 -8.862 -3.709 461 H SER 56 H SER 56 -5.150 -8.606 -1.996 462 HA SER 56 HA SER 56 -6.112 -9.655 0.471 463 HB2 SER 56 2HB SER 56 -4.424 -10.854 -0.868 464 HB3 SER 56 1HB SER 56 -3.277 -9.533 -0.653 465 HG SER 56 HG SER 56 -2.706 -10.473 1.122 466 H VAL 57 H VAL 57 -3.763 -7.120 -0.391 467 HA VAL 57 HA VAL 57 -3.082 -6.286 2.213 468 HB VAL 57 HB VAL 57 -2.899 -4.870 -0.480 469 HG11 VAL 57 1HG1 VAL 57 -3.156 -3.093 1.188 470 HG12 VAL 57 2HG1 VAL 57 -1.500 -3.124 0.586 471 HG13 VAL 57 3HG1 VAL 57 -1.872 -3.797 2.175 472 HG21 VAL 57 3HG2 VAL 57 -0.468 -5.254 -0.223 473 HG22 VAL 57 1HG2 VAL 57 -1.362 -6.773 -0.140 474 HG23 VAL 57 2HG2 VAL 57 -0.749 -6.030 1.338 475 H ALA 58 H ALA 58 -5.488 -5.060 -0.090 476 HA ALA 58 HA ALA 58 -6.432 -2.889 1.454 477 HB1 ALA 58 3HB ALA 58 -6.689 -3.044 -0.988 478 HB2 ALA 58 1HB ALA 58 -8.241 -2.772 -0.196 479 HB3 ALA 58 2HB ALA 58 -7.823 -4.382 -0.792 480 H ASN 59 H ASN 59 -7.232 -6.282 1.442 481 HA ASN 59 HA ASN 59 -9.647 -6.278 2.941 482 HB2 ASN 59 2HB ASN 59 -8.872 -8.280 1.728 483 HB3 ASN 59 1HB ASN 59 -7.425 -8.367 2.724 484 HD21 ASN 59 1HD2 ASN 59 -7.883 -10.457 3.399 485 HD22 ASN 59 2HD2 ASN 59 -9.158 -10.836 4.499 486 H TYR 60 H TYR 60 -6.210 -6.582 3.906 487 HA TYR 60 HA TYR 60 -6.711 -6.655 6.724 488 HB2 TYR 60 2HB TYR 60 -4.187 -6.183 5.106 489 HB3 TYR 60 1HB TYR 60 -4.183 -6.111 6.864 490 HD1 TYR 60 HD1 TYR 60 -4.978 -8.161 8.156 491 HD2 TYR 60 HD2 TYR 60 -3.974 -8.294 4.012 492 HE1 TYR 60 HE1 TYR 60 -4.692 -10.579 8.310 493 HE2 TYR 60 HE2 TYR 60 -3.690 -10.735 4.154 494 HH TYR 60 HH TYR 60 -4.746 -12.558 6.816 495 H LEU 61 H LEU 61 -6.045 -4.063 4.443 496 HA LEU 61 HA LEU 61 -5.516 -1.972 6.242 497 HB2 LEU 61 2HB LEU 61 -6.847 -1.895 3.503 498 HB3 LEU 61 1HB LEU 61 -6.335 -0.467 4.381 499 HG LEU 61 HG LEU 61 -4.524 -2.639 3.278 500 HD11 LEU 61 1HD1 LEU 61 -5.368 -1.145 1.546 501 HD12 LEU 61 2HD1 LEU 61 -3.644 -0.890 1.803 502 HD13 LEU 61 3HD1 LEU 61 -4.813 0.264 2.455 503 HD21 LEU 61 3HD2 LEU 61 -2.631 -1.239 4.046 504 HD22 LEU 61 1HD2 LEU 61 -3.587 -1.892 5.376 505 HD23 LEU 61 2HD2 LEU 61 -3.769 -0.199 4.909 506 H HIS 62 H HIS 62 -8.573 -3.230 4.959 507 HA HIS 62 HA HIS 62 -10.322 -1.463 6.380 508 HB2 HIS 62 2HB HIS 62 -11.030 -2.715 4.374 509 HB3 HIS 62 1HB HIS 62 -10.812 -4.245 5.215 510 HD1 HIS 62 HD1 HIS 62 -12.662 -4.959 6.856 511 HD2 HIS 62 HD2 HIS 62 -13.377 -1.291 5.034 512 HE1 HIS 62 HE1 HIS 62 -15.039 -4.382 7.411 513 HE2 HIS 62 HE2 HIS 62 -15.354 -2.061 6.516 514 H ALA 63 H ALA 63 -9.080 -4.735 7.013 515 HA ALA 63 HA ALA 63 -10.697 -5.397 9.230 516 HB1 ALA 63 3HB ALA 63 -9.513 -7.055 7.854 517 HB2 ALA 63 1HB ALA 63 -9.122 -7.254 9.562 518 HB3 ALA 63 2HB ALA 63 -7.964 -6.480 8.474 519 H LEU 64 H LEU 64 -7.613 -3.762 9.003 520 HA LEU 64 HA LEU 64 -7.183 -3.699 11.904 521 HB2 LEU 64 2HB LEU 64 -5.469 -2.702 9.588 522 HB3 LEU 64 1HB LEU 64 -4.991 -2.674 11.277 523 HG LEU 64 HG LEU 64 -5.551 -5.205 9.684 524 HD11 LEU 64 1HD1 LEU 64 -2.854 -4.074 10.495 525 HD12 LEU 64 2HD1 LEU 64 -3.523 -4.103 8.860 526 HD13 LEU 64 3HD1 LEU 64 -3.144 -5.618 9.679 527 HD21 LEU 64 3HD2 LEU 64 -4.568 -6.406 11.605 528 HD22 LEU 64 1HD2 LEU 64 -6.034 -5.527 12.046 529 HD23 LEU 64 2HD2 LEU 64 -4.453 -4.883 12.493 530 H GLY 65 H GLY 65 -8.432 -1.714 9.351 531 HA2 GLY 65 2HA GLY 65 -9.660 0.279 9.623 532 HA3 GLY 65 1HA GLY 65 -8.874 0.563 11.169 533 H GLY 66 H GLY 66 -6.591 -0.328 8.888 534 HA2 GLY 66 2HA GLY 66 -5.462 2.348 8.786 535 HA3 GLY 66 1HA GLY 66 -4.700 0.857 8.265 536 H ALA 67 H ALA 67 -7.779 1.026 6.862 537 HA ALA 67 HA ALA 67 -6.774 1.323 4.227 538 HB1 ALA 67 3HB ALA 67 -9.118 1.275 3.503 539 HB2 ALA 67 1HB ALA 67 -9.651 1.538 5.170 540 HB3 ALA 67 2HB ALA 67 -8.817 0.048 4.734 541 H VAL 68 H VAL 68 -8.640 3.495 6.298 542 HA VAL 68 HA VAL 68 -8.709 5.729 4.531 543 HB VAL 68 HB VAL 68 -8.941 5.731 7.589 544 HG11 VAL 68 1HG1 VAL 68 -10.231 7.822 7.315 545 HG12 VAL 68 2HG1 VAL 68 -9.952 7.777 5.574 546 HG13 VAL 68 3HG1 VAL 68 -8.592 7.997 6.675 547 HG21 VAL 68 3HG2 VAL 68 -10.550 4.156 6.605 548 HG22 VAL 68 1HG2 VAL 68 -11.145 5.413 5.517 549 HG23 VAL 68 2HG2 VAL 68 -11.384 5.566 7.258 550 H GLN 69 H GLN 69 -6.439 4.627 7.041 551 HA GLN 69 HA GLN 69 -4.827 6.935 7.281 552 HB2 GLN 69 2HB GLN 69 -4.013 4.015 7.643 553 HB3 GLN 69 1HB GLN 69 -3.084 5.396 8.208 554 HG2 GLN 69 2HG GLN 69 -5.883 4.751 9.169 555 HG3 GLN 69 1HG GLN 69 -4.421 4.192 9.971 556 HE21 GLN 69 1HE2 GLN 69 -4.934 5.262 11.880 557 HE22 GLN 69 2HE2 GLN 69 -4.861 6.979 12.043 558 H VAL 70 H VAL 70 -4.626 4.176 5.052 559 HA VAL 70 HA VAL 70 -2.218 4.857 3.715 560 HB VAL 70 HB VAL 70 -4.614 3.187 2.817 561 HG11 VAL 70 1HG1 VAL 70 -3.483 3.990 0.787 562 HG12 VAL 70 2HG1 VAL 70 -3.186 2.265 1.009 563 HG13 VAL 70 3HG1 VAL 70 -1.926 3.436 1.408 564 HG21 VAL 70 3HG2 VAL 70 -3.130 1.276 3.294 565 HG22 VAL 70 1HG2 VAL 70 -3.371 2.281 4.723 566 HG23 VAL 70 2HG2 VAL 70 -1.862 2.387 3.815 567 H LYS 71 H LYS 71 -5.618 5.376 2.877 568 HA LYS 71 HA LYS 71 -5.245 6.776 0.481 569 HB2 LYS 71 2HB LYS 71 -7.558 6.782 2.450 570 HB3 LYS 71 1HB LYS 71 -7.628 7.558 0.876 571 HG2 LYS 71 2HG LYS 71 -7.093 5.286 -0.156 572 HG3 LYS 71 1HG LYS 71 -7.319 4.599 1.456 573 HD2 LYS 71 2HD LYS 71 -9.378 4.381 0.123 574 HD3 LYS 71 1HD LYS 71 -9.637 5.450 1.504 575 HE2 LYS 71 2HE LYS 71 -9.306 7.415 -0.013 576 HE3 LYS 71 1HE LYS 71 -9.173 6.303 -1.374 577 HZ1 LYS 71 3HZ LYS 71 -11.403 5.609 -1.052 578 HZ2 LYS 71 1HZ LYS 71 -11.402 7.296 -1.075 579 HZ3 LYS 71 2HZ LYS 71 -11.551 6.467 0.393 580 H THR 72 H THR 72 -5.451 7.906 3.815 581 HA THR 72 HA THR 72 -5.640 10.687 3.273 582 HB THR 72 HB THR 72 -4.716 9.217 5.791 583 HG1 THR 72 HG1 THR 72 -7.008 9.155 4.817 584 HG21 THR 72 3HG2 THR 72 -5.539 12.135 5.498 585 HG22 THR 72 1HG2 THR 72 -3.898 11.566 5.816 586 HG23 THR 72 2HG2 THR 72 -5.167 11.307 7.011 587 H PHE 73 H PHE 73 -2.931 8.561 4.174 588 HA PHE 73 HA PHE 73 -0.895 10.466 4.315 589 HB2 PHE 73 2HB PHE 73 -0.708 8.126 5.185 590 HB3 PHE 73 1HB PHE 73 -0.619 7.523 3.535 591 HD1 PHE 73 HD2 PHE 73 1.184 9.322 6.194 592 HD2 PHE 73 HD1 PHE 73 1.455 7.809 2.206 593 HE1 PHE 73 HE2 PHE 73 3.618 9.638 6.233 594 HE2 PHE 73 HE1 PHE 73 3.896 8.133 2.256 595 HZ PHE 73 HZ PHE 73 4.970 9.046 4.268 596 H ILE 74 H ILE 74 -1.816 8.343 1.588 597 HA ILE 74 HA ILE 74 0.133 9.207 -0.262 598 HB ILE 74 HB ILE 74 -2.554 7.823 -0.697 599 HG12 ILE 74 2HG1 ILE 74 0.313 6.759 -0.658 600 HG13 ILE 74 1HG1 ILE 74 -0.908 6.494 0.579 601 HG21 ILE 74 1HG2 ILE 74 -0.360 8.203 -2.768 602 HG22 ILE 74 2HG2 ILE 74 -1.935 8.998 -2.783 603 HG23 ILE 74 3HG2 ILE 74 -1.831 7.249 -2.981 604 HD11 ILE 74 3HD1 ILE 74 -2.234 5.202 -1.050 605 HD12 ILE 74 1HD1 ILE 74 -0.636 4.521 -0.756 606 HD13 ILE 74 2HD1 ILE 74 -0.946 5.422 -2.239 607 H THR 75 H THR 75 -3.195 10.305 0.329 608 HA THR 75 HA THR 75 -3.307 12.162 -1.850 609 HB THR 75 HB THR 75 -5.076 11.956 0.628 610 HG1 THR 75 HG1 THR 75 -6.001 10.360 -0.393 611 HG21 THR 75 3HG2 THR 75 -5.388 14.150 -0.488 612 HG22 THR 75 1HG2 THR 75 -6.800 13.113 -0.719 613 HG23 THR 75 2HG2 THR 75 -5.640 13.332 -2.030 614 H GLN 76 H GLN 76 -2.083 12.375 1.427 615 HA GLN 76 HA GLN 76 -1.967 15.281 1.522 616 HB2 GLN 76 2HB GLN 76 -0.715 13.134 3.283 617 HB3 GLN 76 1HB GLN 76 -0.489 14.860 3.562 618 HG2 GLN 76 2HG GLN 76 -2.870 15.148 3.978 619 HG3 GLN 76 1HG GLN 76 -3.180 13.462 3.575 620 HE21 GLN 76 1HE2 GLN 76 -0.824 12.437 4.989 621 HE22 GLN 76 2HE2 GLN 76 -1.196 12.562 6.669 622 H THR 77 H THR 77 0.386 12.640 1.130 623 HA THR 77 HA THR 77 2.668 14.342 0.864 624 HB THR 77 HB THR 77 2.710 11.969 1.807 625 HG1 THR 77 HG1 THR 77 4.662 12.865 1.342 626 HG21 THR 77 3HG2 THR 77 2.688 11.133 -1.127 627 HG22 THR 77 1HG2 THR 77 1.392 10.817 0.031 628 HG23 THR 77 2HG2 THR 77 2.977 10.077 0.258 629 H LYS 78 H LYS 78 4.199 13.902 -1.105 630 HA LYS 78 HA LYS 78 2.765 13.511 -3.672 631 HB2 LYS 78 2HB LYS 78 4.099 15.245 -4.744 632 HB3 LYS 78 1HB LYS 78 3.312 15.953 -3.337 633 HG2 LYS 78 2HG LYS 78 5.436 15.662 -2.056 634 HG3 LYS 78 1HG LYS 78 6.204 15.066 -3.530 635 HD2 LYS 78 2HD LYS 78 5.774 17.247 -4.627 636 HD3 LYS 78 1HD LYS 78 5.028 17.846 -3.139 637 HE2 LYS 78 2HE LYS 78 7.925 17.007 -3.519 638 HE3 LYS 78 1HE LYS 78 7.323 18.642 -3.256 639 HZ1 LYS 78 3HZ LYS 78 7.179 16.407 -1.296 640 HZ2 LYS 78 1HZ LYS 78 6.589 17.975 -1.045 641 HZ3 LYS 78 2HZ LYS 78 8.248 17.717 -1.234 642 H GLU 79 H GLU 79 4.910 12.284 -1.561 643 HA GLU 79 HA GLU 79 7.318 12.024 -3.016 644 HB2 GLU 79 2HB GLU 79 6.379 10.401 -0.624 645 HB3 GLU 79 1HB GLU 79 8.028 10.485 -1.229 646 HG2 GLU 79 2HG GLU 79 6.432 12.670 0.096 647 HG3 GLU 79 1HG GLU 79 7.884 11.880 0.697 648 H ARG 80 H ARG 80 7.934 10.615 -4.419 649 HA ARG 80 HA ARG 80 6.085 8.531 -5.341 650 HB2 ARG 80 2HB ARG 80 8.447 9.941 -6.650 651 HB3 ARG 80 1HB ARG 80 7.756 8.478 -7.347 652 HG2 ARG 80 2HG ARG 80 5.625 9.543 -7.665 653 HG3 ARG 80 1HG ARG 80 6.149 10.978 -6.794 654 HD2 ARG 80 2HD ARG 80 7.810 11.439 -8.578 655 HD3 ARG 80 1HD ARG 80 7.281 9.991 -9.433 656 HE ARG 80 HE ARG 80 5.382 11.079 -10.130 657 HH11 ARG 80 1HH1 ARG 80 7.032 13.134 -7.792 658 HH12 ARG 80 2HH1 ARG 80 6.063 14.526 -8.162 659 HH21 ARG 80 1HH2 ARG 80 4.130 12.898 -10.600 660 HH22 ARG 80 2HH2 ARG 80 4.413 14.388 -9.759 661 HA PRO 81 HA PRO 81 8.806 5.276 -3.771 662 HB2 PRO 81 2HB PRO 81 7.625 3.606 -5.956 663 HB3 PRO 81 1HB PRO 81 7.592 3.345 -4.200 664 HG2 PRO 81 2HG PRO 81 5.387 4.075 -5.536 665 HG3 PRO 81 1HG PRO 81 5.713 4.675 -3.892 666 HD2 PRO 81 2HD PRO 81 6.107 6.090 -6.530 667 HD3 PRO 81 1HD PRO 81 5.449 6.709 -4.998 668 H ARG 82 H ARG 82 10.863 5.205 -4.268 669 HA ARG 82 HA ARG 82 11.887 5.473 -7.039 670 HB2 ARG 82 2HB ARG 82 11.943 7.642 -5.855 671 HB3 ARG 82 1HB ARG 82 12.768 6.907 -4.488 672 HG2 ARG 82 2HG ARG 82 14.770 6.543 -5.870 673 HG3 ARG 82 1HG ARG 82 13.936 7.211 -7.277 674 HD2 ARG 82 2HD ARG 82 14.602 8.715 -4.715 675 HD3 ARG 82 1HD ARG 82 15.419 8.896 -6.273 676 HE ARG 82 HE ARG 82 12.746 9.382 -6.757 677 HH11 ARG 82 1HH1 ARG 82 15.232 10.901 -4.761 678 HH12 ARG 82 2HH1 ARG 82 14.498 12.470 -4.858 679 HH21 ARG 82 1HH2 ARG 82 11.814 11.430 -6.871 680 HH22 ARG 82 2HH2 ARG 82 12.565 12.770 -6.055 681 H LEU 83 H LEU 83 14.082 4.539 -7.283 682 HA LEU 83 HA LEU 83 14.377 2.029 -6.074 683 HB2 LEU 83 2HB LEU 83 15.306 2.537 -8.287 684 HB3 LEU 83 1HB LEU 83 16.436 3.680 -7.584 685 HG LEU 83 HG LEU 83 17.631 1.837 -6.437 686 HD11 LEU 83 1HD1 LEU 83 17.096 -0.512 -6.853 687 HD12 LEU 83 2HD1 LEU 83 15.666 -0.043 -7.773 688 HD13 LEU 83 3HD1 LEU 83 15.763 0.312 -6.045 689 HD21 LEU 83 3HD2 LEU 83 17.275 1.295 -9.405 690 HD22 LEU 83 1HD2 LEU 83 18.621 0.738 -8.405 691 HD23 LEU 83 2HD2 LEU 83 18.387 2.462 -8.685 692 H GLY 84 H GLY 84 14.717 1.751 -3.967 693 HA2 GLY 84 2HA GLY 84 16.267 1.590 -2.140 694 HA3 GLY 84 1HA GLY 84 16.939 3.155 -2.579 695 H LYS 85 H LYS 85 14.059 4.092 -3.002 696 HA LYS 85 HA LYS 85 13.452 4.772 -0.185 697 HB2 LYS 85 2HB LYS 85 14.236 6.643 -1.676 698 HB3 LYS 85 1HB LYS 85 12.879 6.364 -2.748 699 HG2 LYS 85 2HG LYS 85 12.392 7.069 0.153 700 HG3 LYS 85 1HG LYS 85 12.810 8.327 -1.001 701 HD2 LYS 85 2HD LYS 85 10.827 7.768 -2.361 702 HD3 LYS 85 1HD LYS 85 10.428 6.453 -1.255 703 HE2 LYS 85 2HE LYS 85 10.490 9.402 -0.529 704 HE3 LYS 85 1HE LYS 85 9.039 8.448 -0.837 705 HZ1 LYS 85 3HZ LYS 85 10.984 8.045 1.373 706 HZ2 LYS 85 1HZ LYS 85 9.674 7.024 1.050 707 HZ3 LYS 85 2HZ LYS 85 9.400 8.629 1.509 708 H ALA 86 H ALA 86 11.886 3.262 0.372 709 HA ALA 86 HA ALA 86 9.511 2.834 -1.293 710 HB1 ALA 86 3HB ALA 86 8.758 1.346 0.531 711 HB2 ALA 86 1HB ALA 86 10.144 1.838 1.521 712 HB3 ALA 86 2HB ALA 86 10.399 0.942 0.024 713 H VAL 87 H VAL 87 7.479 3.729 -0.855 714 HA VAL 87 HA VAL 87 7.349 6.005 0.977 715 HB VAL 87 HB VAL 87 5.225 4.842 -0.899 716 HG11 VAL 87 1HG1 VAL 87 5.146 7.465 0.641 717 HG12 VAL 87 2HG1 VAL 87 4.144 6.049 0.958 718 HG13 VAL 87 3HG1 VAL 87 3.956 6.939 -0.555 719 HG21 VAL 87 3HG2 VAL 87 7.154 5.774 -2.109 720 HG22 VAL 87 1HG2 VAL 87 6.997 7.295 -1.224 721 HG23 VAL 87 2HG2 VAL 87 5.730 6.790 -2.346 722 H SER 88 H SER 88 7.595 5.047 2.972 723 HA SER 88 HA SER 88 6.025 2.780 3.851 724 HB2 SER 88 2HB SER 88 8.347 3.036 4.627 725 HB3 SER 88 1HB SER 88 7.956 4.578 5.384 726 HG SER 88 HG SER 88 6.726 3.535 6.880 727 H ILE 89 H ILE 89 3.943 3.271 3.981 728 HA ILE 89 HA ILE 89 2.831 5.665 5.166 729 HB ILE 89 HB ILE 89 1.494 3.057 4.296 730 HG12 ILE 89 2HG1 ILE 89 1.771 5.659 2.714 731 HG13 ILE 89 1HG1 ILE 89 2.728 4.209 2.437 732 HG21 ILE 89 1HG2 ILE 89 0.090 4.343 5.857 733 HG22 ILE 89 2HG2 ILE 89 -0.606 4.333 4.240 734 HG23 ILE 89 3HG2 ILE 89 0.230 5.770 4.827 735 HD11 ILE 89 3HD1 ILE 89 0.986 4.398 0.812 736 HD12 ILE 89 1HD1 ILE 89 -0.244 4.476 2.073 737 HD13 ILE 89 2HD1 ILE 89 0.692 2.995 1.841 738 HA PRO 90 HA PRO 90 2.966 3.510 9.242 739 HB2 PRO 90 2HB PRO 90 2.514 5.710 10.814 740 HB3 PRO 90 1HB PRO 90 4.104 5.361 10.104 741 HG2 PRO 90 2HG PRO 90 2.025 7.308 9.190 742 HG3 PRO 90 1HG PRO 90 3.792 7.488 9.248 743 HD2 PRO 90 2HD PRO 90 2.402 6.877 6.947 744 HD3 PRO 90 1HD PRO 90 4.099 6.432 7.222 745 H LEU 91 H LEU 91 1.166 2.278 9.436 746 HA LEU 91 HA LEU 91 -1.516 3.396 9.368 747 HB2 LEU 91 2HB LEU 91 -0.607 0.586 10.102 748 HB3 LEU 91 1HB LEU 91 -2.263 1.085 9.796 749 HG LEU 91 HG LEU 91 0.000 0.867 7.775 750 HD11 LEU 91 1HD1 LEU 91 -1.459 -0.789 6.691 751 HD12 LEU 91 2HD1 LEU 91 -2.643 -0.597 7.987 752 HD13 LEU 91 3HD1 LEU 91 -1.044 -1.255 8.342 753 HD21 LEU 91 3HD2 LEU 91 -1.242 2.881 7.229 754 HD22 LEU 91 1HD2 LEU 91 -2.773 2.006 7.312 755 HD23 LEU 91 2HD2 LEU 91 -1.596 1.620 6.053 756 H ASP 92 H ASP 92 -1.618 4.826 11.025 757 HA ASP 92 HA ASP 92 -0.666 4.357 13.674 758 HB2 ASP 92 2HB ASP 92 -0.999 6.653 12.708 759 HB3 ASP 92 1HB ASP 92 -2.739 6.409 12.764 760 H LEU 93 H LEU 93 -1.454 2.594 14.619 761 HA LEU 93 HA LEU 93 -4.382 2.306 14.982 762 HB2 LEU 93 2HB LEU 93 -2.331 0.064 14.800 763 HB3 LEU 93 1HB LEU 93 -4.058 -0.135 15.042 764 HG LEU 93 HG LEU 93 -2.715 0.899 12.513 765 HD11 LEU 93 1HD1 LEU 93 -3.477 -1.195 11.491 766 HD12 LEU 93 2HD1 LEU 93 -4.138 -1.728 13.037 767 HD13 LEU 93 3HD1 LEU 93 -2.397 -1.503 12.851 768 HD21 LEU 93 3HD2 LEU 93 -4.966 0.838 11.476 769 HD22 LEU 93 1HD2 LEU 93 -4.870 2.017 12.785 770 HD23 LEU 93 2HD2 LEU 93 -5.676 0.471 13.049 771 H GLY 94 H GLY 94 -4.115 3.614 16.867 772 HA2 GLY 94 2HA GLY 94 -3.194 2.053 19.231 773 HA3 GLY 94 1HA GLY 94 -3.244 3.812 19.166 774 H GLU 95 H GLU 95 -5.371 4.788 18.701 775 HA GLU 95 HA GLU 95 -7.427 3.746 20.432 776 HB2 GLU 95 2HB GLU 95 -7.494 6.175 18.584 777 HB3 GLU 95 1HB GLU 95 -8.635 5.828 19.883 778 HG2 GLU 95 2HG GLU 95 -6.794 6.028 21.539 779 HG3 GLU 95 1HG GLU 95 -5.675 6.392 20.230 780 H ARG 96 H ARG 96 -6.922 4.047 16.941 781 HA ARG 96 HA ARG 96 -9.503 3.005 16.165 782 HB2 ARG 96 2HB ARG 96 -6.960 3.386 14.533 783 HB3 ARG 96 1HB ARG 96 -8.527 2.950 13.863 784 HG2 ARG 96 2HG ARG 96 -7.854 5.558 15.261 785 HG3 ARG 96 1HG ARG 96 -8.039 5.327 13.524 786 HD2 ARG 96 2HD ARG 96 -10.199 5.090 15.637 787 HD3 ARG 96 1HD ARG 96 -10.063 6.333 14.393 788 HE ARG 96 HE ARG 96 -10.779 3.497 13.961 789 HH11 ARG 96 1HH1 ARG 96 -10.705 6.796 12.686 790 HH12 ARG 96 2HH1 ARG 96 -11.671 6.389 11.306 791 HH21 ARG 96 1HH2 ARG 96 -12.022 3.012 12.154 792 HH22 ARG 96 2HH2 ARG 96 -12.412 4.261 11.007 793 H ALA 97 H ALA 97 -6.597 1.547 17.256 794 HA ALA 97 HA ALA 97 -7.008 -1.045 16.027 795 HB1 ALA 97 3HB ALA 97 -5.309 -0.292 18.431 796 HB2 ALA 97 1HB ALA 97 -4.763 -0.370 16.758 797 HB3 ALA 97 2HB ALA 97 -5.274 -1.842 17.583 798 H SER 98 H SER 98 -8.472 0.656 18.582 799 HA SER 98 HA SER 98 -9.246 -1.687 20.156 800 HB2 SER 98 2HB SER 98 -8.457 0.387 21.292 801 HB3 SER 98 1HB SER 98 -9.818 1.277 20.617 802 HG SER 98 HG SER 98 -10.495 0.680 22.592 803 H GLU 99 H GLU 99 -10.499 0.058 17.506 804 HA GLU 99 HA GLU 99 -13.218 0.410 18.216 805 HB2 GLU 99 2HB GLU 99 -13.631 0.910 15.869 806 HB3 GLU 99 1HB GLU 99 -12.090 1.622 16.333 807 HG2 GLU 99 2HG GLU 99 -10.877 -0.196 15.213 808 HG3 GLU 99 1HG GLU 99 -12.394 -0.993 14.817 809 H TRP 100 H TRP 100 -11.517 -2.318 16.825 810 HA TRP 100 HA TRP 100 -13.993 -3.745 16.176 811 HB2 TRP 100 2HB TRP 100 -12.510 -5.341 14.985 812 HB3 TRP 100 1HB TRP 100 -12.336 -3.691 14.414 813 HD1 TRP 100 HD1 TRP 100 -9.980 -2.388 15.282 814 HE1 TRP 100 HE1 TRP 100 -7.641 -3.391 15.610 815 HE3 TRP 100 HE3 TRP 100 -11.248 -7.330 15.647 816 HZ2 TRP 100 HZ2 TRP 100 -6.470 -5.927 15.964 817 HZ3 TRP 100 HZ3 TRP 100 -9.457 -8.985 15.980 818 HH2 TRP 100 HH2 TRP 100 -7.115 -8.300 16.135 819 H ILE 101 H ILE 101 -11.900 -3.477 18.786 820 HA ILE 101 HA ILE 101 -12.464 -6.103 19.915 821 HB ILE 101 HB ILE 101 -11.052 -3.624 21.000 822 HG12 ILE 101 2HG1 ILE 101 -9.147 -5.289 21.340 823 HG13 ILE 101 1HG1 ILE 101 -10.116 -6.493 20.502 824 HG21 ILE 101 1HG2 ILE 101 -10.677 -4.757 23.156 825 HG22 ILE 101 2HG2 ILE 101 -11.711 -6.099 22.656 826 HG23 ILE 101 3HG2 ILE 101 -12.397 -4.487 22.877 827 HD11 ILE 101 3HD1 ILE 101 -10.044 -5.136 18.473 828 HD12 ILE 101 1HD1 ILE 101 -8.424 -5.505 19.065 829 HD13 ILE 101 2HD1 ILE 101 -9.113 -3.904 19.327 830 H ILE 102 H ILE 102 -14.586 -6.424 20.343 831 HA ILE 102 HA ILE 102 -16.212 -4.276 21.578 832 HB ILE 102 HB ILE 102 -17.221 -6.792 20.159 833 HG12 ILE 102 2HG1 ILE 102 -16.088 -5.297 18.535 834 HG13 ILE 102 1HG1 ILE 102 -17.821 -5.335 18.243 835 HG21 ILE 102 1HG2 ILE 102 -19.425 -5.651 20.170 836 HG22 ILE 102 2HG2 ILE 102 -18.741 -4.329 21.117 837 HG23 ILE 102 3HG2 ILE 102 -18.832 -5.955 21.802 838 HD11 ILE 102 3HD1 ILE 102 -16.946 -3.098 17.967 839 HD12 ILE 102 1HD1 ILE 102 -16.285 -3.119 19.602 840 HD13 ILE 102 2HD1 ILE 102 -18.032 -3.143 19.355 841 H LEU 103 H LEU 103 -14.983 -4.833 23.538 842 HA LEU 103 HA LEU 103 -16.153 -7.124 25.009 843 HB2 LEU 103 2HB LEU 103 -13.550 -5.620 25.512 844 HB3 LEU 103 1HB LEU 103 -14.220 -6.819 26.604 845 HG LEU 103 HG LEU 103 -13.249 -7.355 23.770 846 HD11 LEU 103 1HD1 LEU 103 -11.396 -6.926 25.323 847 HD12 LEU 103 2HD1 LEU 103 -11.416 -8.610 24.810 848 HD13 LEU 103 3HD1 LEU 103 -12.001 -8.172 26.418 849 HD21 LEU 103 3HD2 LEU 103 -13.612 -9.745 24.256 850 HD22 LEU 103 1HD2 LEU 103 -15.120 -8.833 24.313 851 HD23 LEU 103 2HD2 LEU 103 -14.331 -9.324 25.813 852 H GLU 104 H GLU 104 -18.047 -5.969 25.346 853 HA GLU 104 HA GLU 104 -17.939 -3.673 27.198 854 HB2 GLU 104 2HB GLU 104 -20.397 -3.351 26.377 855 HB3 GLU 104 1HB GLU 104 -19.084 -2.897 25.304 856 HG2 GLU 104 2HG GLU 104 -19.391 -5.107 24.108 857 HG3 GLU 104 1HG GLU 104 -20.809 -5.386 25.114 Start of MODEL 4 1 H1 MET 1 1H MET 1 -11.932 -1.033 1.611 2 H2 MET 1 2H MET 1 -12.740 -0.299 0.326 3 H3 MET 1 3H MET 1 -11.772 0.630 1.353 4 HA MET 1 HA MET 1 -10.694 0.235 -0.741 5 HB2 MET 1 2HB MET 1 -9.271 0.501 1.253 6 HB3 MET 1 1HB MET 1 -9.424 -1.212 1.624 7 HG2 MET 1 2HG MET 1 -7.257 -0.848 0.632 8 HG3 MET 1 1HG MET 1 -8.237 -1.723 -0.532 9 HE1 MET 1 3HE MET 1 -6.818 2.631 -0.892 10 HE2 MET 1 1HE MET 1 -6.259 1.458 0.299 11 HE3 MET 1 2HE MET 1 -7.875 2.159 0.440 12 H THR 2 H THR 2 -10.944 -1.051 -2.468 13 HA THR 2 HA THR 2 -10.828 -3.999 -2.200 14 HB THR 2 HB THR 2 -11.610 -4.136 -4.510 15 HG1 THR 2 HG1 THR 2 -12.182 -2.050 -5.566 16 HG21 THR 2 3HG2 THR 2 -13.307 -2.076 -3.050 17 HG22 THR 2 1HG2 THR 2 -13.418 -3.831 -2.859 18 HG23 THR 2 2HG2 THR 2 -13.832 -3.080 -4.403 19 H GLY 3 H GLY 3 -9.415 -5.050 -3.967 20 HA2 GLY 3 2HA GLY 3 -6.736 -4.151 -3.923 21 HA3 GLY 3 1HA GLY 3 -7.389 -5.365 -5.015 22 H GLN 4 H GLN 4 -9.381 -3.535 -6.086 23 HA GLN 4 HA GLN 4 -7.956 -2.324 -8.235 24 HB2 GLN 4 2HB GLN 4 -10.255 -3.305 -8.432 25 HB3 GLN 4 1HB GLN 4 -10.883 -1.999 -7.435 26 HG2 GLN 4 2HG GLN 4 -11.352 -1.556 -9.784 27 HG3 GLN 4 1HG GLN 4 -10.213 -0.358 -9.165 28 HE21 GLN 4 1HE2 GLN 4 -9.473 0.132 -11.244 29 HE22 GLN 4 2HE2 GLN 4 -8.447 -0.926 -12.140 30 H GLU 5 H GLU 5 -9.729 -1.024 -5.389 31 HA GLU 5 HA GLU 5 -9.392 1.716 -5.979 32 HB2 GLU 5 2HB GLU 5 -9.770 0.349 -3.277 33 HB3 GLU 5 1HB GLU 5 -9.905 2.086 -3.544 34 HG2 GLU 5 2HG GLU 5 -11.688 -0.065 -4.704 35 HG3 GLU 5 1HG GLU 5 -12.108 1.065 -3.424 36 H LEU 6 H LEU 6 -7.404 -0.588 -4.226 37 HA LEU 6 HA LEU 6 -5.524 1.132 -3.088 38 HB2 LEU 6 2HB LEU 6 -5.825 -1.254 -2.477 39 HB3 LEU 6 1HB LEU 6 -5.157 -1.735 -4.028 40 HG LEU 6 HG LEU 6 -2.959 -0.766 -3.408 41 HD11 LEU 6 1HD1 LEU 6 -2.496 0.016 -1.114 42 HD12 LEU 6 2HD1 LEU 6 -4.216 -0.091 -0.728 43 HD13 LEU 6 3HD1 LEU 6 -3.652 1.058 -1.945 44 HD21 LEU 6 3HD2 LEU 6 -3.371 -3.110 -2.912 45 HD22 LEU 6 1HD2 LEU 6 -4.036 -2.686 -1.331 46 HD23 LEU 6 2HD2 LEU 6 -2.332 -2.391 -1.685 47 H ARG 7 H ARG 7 -5.440 -0.624 -6.241 48 HA ARG 7 HA ARG 7 -2.905 0.441 -6.980 49 HB2 ARG 7 2HB ARG 7 -3.148 -0.605 -9.094 50 HB3 ARG 7 1HB ARG 7 -3.846 -1.689 -7.913 51 HG2 ARG 7 2HG ARG 7 -6.096 -1.114 -8.623 52 HG3 ARG 7 1HG ARG 7 -5.475 0.134 -9.707 53 HD2 ARG 7 2HD ARG 7 -5.107 -2.872 -9.967 54 HD3 ARG 7 1HD ARG 7 -6.054 -1.811 -11.019 55 HE ARG 7 HE ARG 7 -3.224 -1.179 -10.832 56 HH11 ARG 7 1HH1 ARG 7 -5.652 -2.907 -12.695 57 HH12 ARG 7 2HH1 ARG 7 -4.660 -2.994 -14.116 58 HH21 ARG 7 1HH2 ARG 7 -1.948 -1.335 -12.676 59 HH22 ARG 7 2HH2 ARG 7 -2.566 -2.103 -14.099 60 H GLN 8 H GLN 8 -6.238 1.498 -7.559 61 HA GLN 8 HA GLN 8 -5.682 3.383 -9.620 62 HB2 GLN 8 2HB GLN 8 -8.034 3.129 -7.698 63 HB3 GLN 8 1HB GLN 8 -7.960 4.363 -8.955 64 HG2 GLN 8 2HG GLN 8 -7.908 1.368 -9.429 65 HG3 GLN 8 1HG GLN 8 -9.307 2.414 -9.637 66 HE21 GLN 8 1HE2 GLN 8 -7.924 4.606 -10.904 67 HE22 GLN 8 2HE2 GLN 8 -7.456 4.067 -12.473 68 H LEU 9 H LEU 9 -5.748 3.574 -6.113 69 HA LEU 9 HA LEU 9 -5.411 6.335 -5.724 70 HB2 LEU 9 2HB LEU 9 -5.956 4.730 -3.944 71 HB3 LEU 9 1HB LEU 9 -4.393 3.957 -4.140 72 HG LEU 9 HG LEU 9 -3.283 6.055 -3.324 73 HD11 LEU 9 1HD1 LEU 9 -6.098 7.023 -2.734 74 HD12 LEU 9 2HD1 LEU 9 -4.985 7.709 -3.921 75 HD13 LEU 9 3HD1 LEU 9 -4.602 7.799 -2.203 76 HD21 LEU 9 3HD2 LEU 9 -3.854 5.730 -0.972 77 HD22 LEU 9 1HD2 LEU 9 -3.721 4.186 -1.815 78 HD23 LEU 9 2HD2 LEU 9 -5.314 4.848 -1.431 79 H LEU 10 H LEU 10 -3.084 3.743 -6.382 80 HA LEU 10 HA LEU 10 -0.702 5.360 -6.215 81 HB2 LEU 10 2HB LEU 10 -0.966 2.672 -7.613 82 HB3 LEU 10 1HB LEU 10 0.476 3.365 -6.882 83 HG LEU 10 HG LEU 10 -1.963 2.360 -5.366 84 HD11 LEU 10 1HD1 LEU 10 -0.737 0.517 -6.372 85 HD12 LEU 10 2HD1 LEU 10 -0.579 0.504 -4.617 86 HD13 LEU 10 3HD1 LEU 10 0.760 1.077 -5.618 87 HD21 LEU 10 3HD2 LEU 10 -0.875 4.175 -4.150 88 HD22 LEU 10 1HD2 LEU 10 0.678 3.339 -4.257 89 HD23 LEU 10 2HD2 LEU 10 -0.648 2.637 -3.325 90 H LEU 11 H LEU 11 -2.960 4.394 -8.716 91 HA LEU 11 HA LEU 11 -1.326 5.107 -10.988 92 HB2 LEU 11 2HB LEU 11 -4.199 4.209 -10.642 93 HB3 LEU 11 1HB LEU 11 -3.625 4.768 -12.206 94 HG LEU 11 HG LEU 11 -2.336 2.462 -10.703 95 HD11 LEU 11 1HD1 LEU 11 -3.512 0.928 -12.193 96 HD12 LEU 11 2HD1 LEU 11 -4.392 2.276 -12.924 97 HD13 LEU 11 3HD1 LEU 11 -4.657 1.862 -11.227 98 HD21 LEU 11 3HD2 LEU 11 -0.880 3.587 -12.332 99 HD22 LEU 11 1HD2 LEU 11 -2.091 3.350 -13.598 100 HD23 LEU 11 2HD2 LEU 11 -1.292 1.959 -12.859 101 H ASP 12 H ASP 12 -3.706 6.743 -9.007 102 HA ASP 12 HA ASP 12 -4.020 8.986 -10.868 103 HB2 ASP 12 2HB ASP 12 -5.228 8.336 -8.152 104 HB3 ASP 12 1HB ASP 12 -5.351 9.965 -8.802 105 H LYS 13 H LYS 13 -2.464 8.260 -7.744 106 HA LYS 13 HA LYS 13 -1.643 11.014 -7.382 107 HB2 LYS 13 2HB LYS 13 -2.239 9.440 -5.470 108 HB3 LYS 13 1HB LYS 13 -0.718 8.610 -5.764 109 HG2 LYS 13 2HG LYS 13 -0.451 10.173 -3.916 110 HG3 LYS 13 1HG LYS 13 0.513 10.727 -5.292 111 HD2 LYS 13 2HD LYS 13 -1.280 12.344 -5.884 112 HD3 LYS 13 1HD LYS 13 -2.235 11.783 -4.506 113 HE2 LYS 13 2HE LYS 13 -1.052 13.902 -4.033 114 HE3 LYS 13 1HE LYS 13 -0.542 12.605 -2.957 115 HZ1 LYS 13 3HZ LYS 13 0.951 13.554 -5.345 116 HZ2 LYS 13 1HZ LYS 13 1.441 12.313 -4.305 117 HZ3 LYS 13 2HZ LYS 13 1.326 13.896 -3.735 118 H TRP 14 H TRP 14 -0.040 7.954 -8.247 119 HA TRP 14 HA TRP 14 2.507 9.416 -8.721 120 HB2 TRP 14 2HB TRP 14 2.056 6.534 -7.863 121 HB3 TRP 14 1HB TRP 14 3.630 7.214 -8.271 122 HD1 TRP 14 HD1 TRP 14 3.427 9.959 -6.731 123 HE1 TRP 14 HE1 TRP 14 3.529 9.998 -4.180 124 HE3 TRP 14 HE3 TRP 14 2.052 5.138 -5.762 125 HZ2 TRP 14 HZ2 TRP 14 3.127 8.266 -2.028 126 HZ3 TRP 14 HZ3 TRP 14 1.961 4.408 -3.412 127 HH2 TRP 14 HH2 TRP 14 2.486 5.937 -1.582 128 H GLY 15 H GLY 15 0.023 7.669 -10.294 129 HA2 GLY 15 2HA GLY 15 -0.280 7.486 -12.584 130 HA3 GLY 15 1HA GLY 15 1.357 8.057 -12.835 131 H TYR 16 H TYR 16 1.387 5.470 -10.693 132 HA TYR 16 HA TYR 16 1.617 3.365 -12.723 133 HB2 TYR 16 2HB TYR 16 3.872 4.197 -10.847 134 HB3 TYR 16 1HB TYR 16 3.806 2.589 -11.560 135 HD1 TYR 16 HD1 TYR 16 3.698 2.464 -14.155 136 HD2 TYR 16 HD2 TYR 16 4.968 5.953 -12.038 137 HE1 TYR 16 HE1 TYR 16 4.858 3.246 -16.159 138 HE2 TYR 16 HE2 TYR 16 6.140 6.737 -14.063 139 HH TYR 16 HH TYR 16 5.736 5.177 -17.138 140 H SER 17 H SER 17 1.359 1.297 -11.904 141 HA SER 17 HA SER 17 -0.186 1.159 -9.417 142 HB2 SER 17 2HB SER 17 -1.070 0.280 -11.650 143 HB3 SER 17 1HB SER 17 0.178 -0.966 -11.589 144 HG SER 17 HG SER 17 -0.758 -1.640 -9.602 145 H TYR 18 H TYR 18 1.562 1.237 -7.917 146 HA TYR 18 HA TYR 18 3.880 -0.495 -8.109 147 HB2 TYR 18 2HB TYR 18 2.979 1.387 -5.891 148 HB3 TYR 18 1HB TYR 18 4.531 0.562 -5.937 149 HD1 TYR 18 HD1 TYR 18 6.244 1.213 -7.631 150 HD2 TYR 18 HD2 TYR 18 2.583 3.366 -7.205 151 HE1 TYR 18 HE1 TYR 18 7.217 3.111 -8.846 152 HE2 TYR 18 HE2 TYR 18 3.555 5.241 -8.427 153 HH TYR 18 HH TYR 18 6.467 5.038 -10.137 154 H ASP 19 H ASP 19 4.511 -2.043 -6.518 155 HA ASP 19 HA ASP 19 2.395 -3.547 -5.237 156 HB2 ASP 19 2HB ASP 19 4.517 -4.563 -6.276 157 HB3 ASP 19 1HB ASP 19 5.407 -3.936 -4.890 158 H VAL 20 H VAL 20 2.678 -4.076 -2.804 159 HA VAL 20 HA VAL 20 3.555 -1.763 -1.192 160 HB VAL 20 HB VAL 20 1.301 -1.854 0.066 161 HG11 VAL 20 1HG1 VAL 20 0.136 -0.337 -1.489 162 HG12 VAL 20 2HG1 VAL 20 1.209 -0.837 -2.801 163 HG13 VAL 20 3HG1 VAL 20 1.862 0.035 -1.412 164 HG21 VAL 20 3HG2 VAL 20 -0.672 -2.704 -1.157 165 HG22 VAL 20 1HG2 VAL 20 0.477 -4.004 -0.832 166 HG23 VAL 20 2HG2 VAL 20 0.373 -3.305 -2.450 167 H GLN 21 H GLN 21 4.411 -2.378 0.724 168 HA GLN 21 HA GLN 21 4.393 -5.245 1.477 169 HB2 GLN 21 2HB GLN 21 6.603 -4.447 0.760 170 HB3 GLN 21 1HB GLN 21 6.510 -3.079 1.865 171 HG2 GLN 21 2HG GLN 21 6.456 -4.757 3.776 172 HG3 GLN 21 1HG GLN 21 6.806 -6.012 2.592 173 HE21 GLN 21 1HE2 GLN 21 8.194 -2.745 2.595 174 HE22 GLN 21 2HE2 GLN 21 9.809 -3.247 2.937 175 H PHE 22 H PHE 22 3.444 -5.713 3.409 176 HA PHE 22 HA PHE 22 2.962 -3.713 5.449 177 HB2 PHE 22 2HB PHE 22 2.512 -6.716 5.343 178 HB3 PHE 22 1HB PHE 22 2.301 -5.809 6.836 179 HD1 PHE 22 HD1 PHE 22 0.746 -3.667 6.653 180 HD2 PHE 22 HD2 PHE 22 0.618 -6.991 3.953 181 HE1 PHE 22 HE1 PHE 22 -1.557 -3.069 6.024 182 HE2 PHE 22 HE2 PHE 22 -1.674 -6.376 3.337 183 HZ PHE 22 HZ PHE 22 -2.762 -4.422 4.362 184 H ARG 23 H ARG 23 4.779 -2.932 6.323 185 HA ARG 23 HA ARG 23 6.872 -4.782 7.295 186 HB2 ARG 23 2HB ARG 23 7.467 -2.947 5.566 187 HB3 ARG 23 1HB ARG 23 7.233 -1.786 6.868 188 HG2 ARG 23 2HG ARG 23 9.581 -2.277 6.760 189 HG3 ARG 23 1HG ARG 23 8.958 -3.057 8.211 190 HD2 ARG 23 2HD ARG 23 8.786 -5.208 6.874 191 HD3 ARG 23 1HD ARG 23 9.614 -4.377 5.551 192 HE ARG 23 HE ARG 23 11.001 -4.345 8.099 193 HH11 ARG 23 1HH1 ARG 23 10.593 -6.070 5.052 194 HH12 ARG 23 2HH1 ARG 23 12.121 -6.882 5.173 195 HH21 ARG 23 1HH2 ARG 23 12.976 -5.452 8.255 196 HH22 ARG 23 2HH2 ARG 23 13.472 -6.529 6.990 197 H ARG 24 H ARG 24 6.693 -5.137 9.414 198 HA ARG 24 HA ARG 24 5.428 -3.127 11.185 199 HB2 ARG 24 2HB ARG 24 4.251 -5.288 11.038 200 HB3 ARG 24 1HB ARG 24 5.718 -6.144 11.501 201 HG2 ARG 24 2HG ARG 24 5.644 -5.121 13.730 202 HG3 ARG 24 1HG ARG 24 4.229 -4.169 13.266 203 HD2 ARG 24 2HD ARG 24 3.639 -6.169 14.623 204 HD3 ARG 24 1HD ARG 24 2.896 -6.188 13.017 205 HE ARG 24 HE ARG 24 5.428 -7.603 13.233 206 HH11 ARG 24 1HH1 ARG 24 1.926 -7.958 13.446 207 HH12 ARG 24 2HH1 ARG 24 1.975 -9.669 13.165 208 HH21 ARG 24 1HH2 ARG 24 5.458 -9.818 12.812 209 HH22 ARG 24 2HH2 ARG 24 3.976 -10.725 12.805 210 H THR 25 H THR 25 6.666 -2.178 12.669 211 HA THR 25 HA THR 25 9.083 -3.478 13.749 212 HB THR 25 HB THR 25 10.017 -1.960 12.125 213 HG1 THR 25 HG1 THR 25 11.187 -1.825 13.982 214 HG21 THR 25 3HG2 THR 25 8.307 0.267 13.285 215 HG22 THR 25 1HG2 THR 25 8.064 -0.504 11.713 216 HG23 THR 25 2HG2 THR 25 9.522 0.444 12.018 217 H GLN 26 H GLN 26 9.172 -3.358 15.898 218 HA GLN 26 HA GLN 26 8.757 -2.944 18.074 219 HB2 GLN 26 2HB GLN 26 7.922 -0.204 17.044 220 HB3 GLN 26 1HB GLN 26 8.110 -0.590 18.748 221 HG2 GLN 26 2HG GLN 26 10.377 -0.853 16.752 222 HG3 GLN 26 1HG GLN 26 10.036 0.638 17.624 223 HE21 GLN 26 1HE2 GLN 26 12.055 0.617 18.636 224 HE22 GLN 26 2HE2 GLN 26 12.443 -0.501 19.897 225 H GLY 27 H GLY 27 6.573 -3.891 16.162 226 HA2 GLY 27 2HA GLY 27 4.553 -4.944 16.711 227 HA3 GLY 27 1HA GLY 27 4.369 -3.895 18.106 228 H LYS 28 H LYS 28 5.190 -1.850 15.693 229 HA LYS 28 HA LYS 28 2.390 -1.098 15.109 230 HB2 LYS 28 2HB LYS 28 4.997 0.468 14.792 231 HB3 LYS 28 1HB LYS 28 3.373 1.103 14.515 232 HG2 LYS 28 2HG LYS 28 2.820 0.972 16.840 233 HG3 LYS 28 1HG LYS 28 4.275 0.032 17.202 234 HD2 LYS 28 2HD LYS 28 5.693 1.954 16.673 235 HD3 LYS 28 1HD LYS 28 4.281 2.903 16.190 236 HE2 LYS 28 2HE LYS 28 3.454 2.899 18.488 237 HE3 LYS 28 1HE LYS 28 4.757 1.820 18.993 238 HZ1 LYS 28 3HZ LYS 28 6.340 3.569 18.403 239 HZ2 LYS 28 1HZ LYS 28 5.263 4.071 19.601 240 HZ3 LYS 28 2HZ LYS 28 5.067 4.607 18.011 241 H ILE 29 H ILE 29 1.710 -0.822 12.951 242 HA ILE 29 HA ILE 29 3.386 -2.232 10.963 243 HB ILE 29 HB ILE 29 1.205 -3.310 11.488 244 HG12 ILE 29 2HG1 ILE 29 0.416 -3.626 9.116 245 HG13 ILE 29 1HG1 ILE 29 1.410 -2.258 8.627 246 HG21 ILE 29 1HG2 ILE 29 -0.141 -1.336 12.015 247 HG22 ILE 29 2HG2 ILE 29 -0.927 -2.306 10.768 248 HG23 ILE 29 3HG2 ILE 29 -0.081 -0.823 10.327 249 HD11 ILE 29 3HD1 ILE 29 2.458 -4.390 8.099 250 HD12 ILE 29 1HD1 ILE 29 2.433 -4.844 9.802 251 HD13 ILE 29 2HD1 ILE 29 3.422 -3.485 9.261 252 H PHE 30 H PHE 30 3.938 -1.306 9.091 253 HA PHE 30 HA PHE 30 2.875 1.332 8.282 254 HB2 PHE 30 2HB PHE 30 5.817 0.475 8.275 255 HB3 PHE 30 1HB PHE 30 5.201 1.969 7.575 256 HD1 PHE 30 HD2 PHE 30 5.911 0.191 10.755 257 HD2 PHE 30 HD1 PHE 30 4.587 3.865 8.991 258 HE1 PHE 30 HE2 PHE 30 6.158 1.329 12.924 259 HE2 PHE 30 HE1 PHE 30 4.838 4.986 11.169 260 HZ PHE 30 HZ PHE 30 5.621 3.722 13.131 261 H LEU 31 H LEU 31 2.150 1.226 6.202 262 HA LEU 31 HA LEU 31 2.780 -1.142 4.596 263 HB2 LEU 31 2HB LEU 31 0.408 -0.316 4.828 264 HB3 LEU 31 1HB LEU 31 0.866 1.152 3.981 265 HG LEU 31 HG LEU 31 1.454 -0.259 1.955 266 HD11 LEU 31 1HD1 LEU 31 1.897 -2.384 3.067 267 HD12 LEU 31 2HD1 LEU 31 0.659 -2.582 1.830 268 HD13 LEU 31 3HD1 LEU 31 0.201 -2.524 3.534 269 HD21 LEU 31 3HD2 LEU 31 -0.851 -0.662 1.223 270 HD22 LEU 31 1HD2 LEU 31 -0.720 0.875 2.081 271 HD23 LEU 31 2HD2 LEU 31 -1.420 -0.528 2.891 272 H GLN 32 H GLN 32 4.836 -0.858 3.845 273 HA GLN 32 HA GLN 32 5.758 1.674 2.734 274 HB2 GLN 32 2HB GLN 32 7.180 -1.006 3.062 275 HB3 GLN 32 1HB GLN 32 7.939 0.471 2.467 276 HG2 GLN 32 2HG GLN 32 7.330 1.562 4.669 277 HG3 GLN 32 1HG GLN 32 6.821 -0.023 5.244 278 HE21 GLN 32 1HE2 GLN 32 8.961 1.760 6.204 279 HE22 GLN 32 2HE2 GLN 32 10.406 0.818 6.153 280 H VAL 33 H VAL 33 4.867 2.076 0.821 281 HA VAL 33 HA VAL 33 4.191 0.220 -1.186 282 HB VAL 33 HB VAL 33 4.764 3.197 -1.563 283 HG11 VAL 33 1HG1 VAL 33 3.097 1.270 -3.235 284 HG12 VAL 33 2HG1 VAL 33 4.648 1.975 -3.701 285 HG13 VAL 33 3HG1 VAL 33 3.231 3.009 -3.514 286 HG21 VAL 33 3HG2 VAL 33 3.094 2.865 0.223 287 HG22 VAL 33 1HG2 VAL 33 2.131 1.845 -0.852 288 HG23 VAL 33 2HG2 VAL 33 2.342 3.560 -1.216 289 H MET 34 H MET 34 5.507 -0.907 -2.392 290 HA MET 34 HA MET 34 8.325 -0.556 -2.619 291 HB2 MET 34 2HB MET 34 6.430 -2.360 -4.188 292 HB3 MET 34 1HB MET 34 8.179 -2.524 -4.137 293 HG2 MET 34 2HG MET 34 6.446 -2.770 -1.666 294 HG3 MET 34 1HG MET 34 6.833 -4.142 -2.697 295 HE1 MET 34 3HE MET 34 9.669 -2.109 0.318 296 HE2 MET 34 1HE MET 34 7.915 -1.956 0.271 297 HE3 MET 34 2HE MET 34 8.906 -1.102 -0.912 298 H TRP 35 H TRP 35 9.534 -0.092 -4.474 299 HA TRP 35 HA TRP 35 8.474 1.919 -6.248 300 HB2 TRP 35 2HB TRP 35 10.857 1.910 -7.176 301 HB3 TRP 35 1HB TRP 35 10.696 2.310 -5.472 302 HD1 TRP 35 HD1 TRP 35 12.176 -0.390 -7.779 303 HE1 TRP 35 HE1 TRP 35 13.710 -1.907 -6.374 304 HE3 TRP 35 HE3 TRP 35 11.014 1.350 -3.091 305 HZ2 TRP 35 HZ2 TRP 35 14.344 -2.322 -3.658 306 HZ3 TRP 35 HZ3 TRP 35 12.125 0.330 -1.142 307 HH2 TRP 35 HH2 TRP 35 13.757 -1.474 -1.420 308 H LYS 36 H LYS 36 8.784 -1.472 -6.376 309 HA LYS 36 HA LYS 36 8.960 -1.728 -9.251 310 HB2 LYS 36 2HB LYS 36 8.376 -3.775 -7.069 311 HB3 LYS 36 1HB LYS 36 8.659 -4.160 -8.771 312 HG2 LYS 36 2HG LYS 36 10.935 -3.278 -8.635 313 HG3 LYS 36 1HG LYS 36 10.664 -2.758 -6.966 314 HD2 LYS 36 2HD LYS 36 10.374 -5.135 -6.289 315 HD3 LYS 36 1HD LYS 36 10.685 -5.643 -7.955 316 HE2 LYS 36 2HE LYS 36 12.950 -4.727 -7.838 317 HE3 LYS 36 1HE LYS 36 12.640 -4.099 -6.217 318 HZ1 LYS 36 3HZ LYS 36 12.643 -6.964 -6.979 319 HZ2 LYS 36 1HZ LYS 36 12.377 -6.349 -5.428 320 HZ3 LYS 36 2HZ LYS 36 13.884 -6.158 -6.166 321 H TYR 37 H TYR 37 7.309 -1.458 -10.540 322 HA TYR 37 HA TYR 37 4.520 -1.770 -9.592 323 HB2 TYR 37 2HB TYR 37 3.955 -0.129 -11.463 324 HB3 TYR 37 1HB TYR 37 4.823 0.542 -10.098 325 HD1 TYR 37 HD2 TYR 37 5.098 -0.390 -13.673 326 HD2 TYR 37 HD1 TYR 37 7.075 1.488 -10.384 327 HE1 TYR 37 HE2 TYR 37 6.723 0.606 -15.215 328 HE2 TYR 37 HE1 TYR 37 8.701 2.489 -11.940 329 HH TYR 37 HH TYR 37 8.226 2.574 -15.278 330 H LEU 38 H LEU 38 2.966 -2.463 -11.250 331 HA LEU 38 HA LEU 38 3.691 -4.983 -12.243 332 HB2 LEU 38 2HB LEU 38 1.405 -4.421 -11.542 333 HB3 LEU 38 1HB LEU 38 1.243 -3.300 -12.884 334 HG LEU 38 HG LEU 38 1.417 -5.233 -14.490 335 HD11 LEU 38 1HD1 LEU 38 1.354 -6.992 -12.016 336 HD12 LEU 38 2HD1 LEU 38 2.724 -6.778 -13.111 337 HD13 LEU 38 3HD1 LEU 38 1.246 -7.538 -13.691 338 HD21 LEU 38 3HD2 LEU 38 -0.815 -5.505 -12.453 339 HD22 LEU 38 1HD2 LEU 38 -0.829 -6.136 -14.101 340 HD23 LEU 38 2HD2 LEU 38 -0.786 -4.396 -13.827 341 H GLU 39 H GLU 39 3.658 -1.875 -13.798 342 HA GLU 39 HA GLU 39 3.414 -2.721 -16.504 343 HB2 GLU 39 2HB GLU 39 4.563 -0.102 -15.438 344 HB3 GLU 39 1HB GLU 39 4.067 -0.400 -17.096 345 HG2 GLU 39 2HG GLU 39 2.367 0.925 -16.045 346 HG3 GLU 39 1HG GLU 39 1.706 -0.694 -16.273 347 H GLN 40 H GLN 40 6.095 -2.684 -14.314 348 HA GLN 40 HA GLN 40 8.290 -2.682 -16.117 349 HB2 GLN 40 2HB GLN 40 7.964 -4.116 -13.433 350 HB3 GLN 40 1HB GLN 40 9.492 -3.960 -14.297 351 HG2 GLN 40 2HG GLN 40 9.373 -1.505 -14.065 352 HG3 GLN 40 1HG GLN 40 7.844 -1.661 -13.203 353 HE21 GLN 40 1HE2 GLN 40 10.391 -0.484 -12.339 354 HE22 GLN 40 2HE2 GLN 40 10.827 -1.310 -10.886 355 H ALA 41 H ALA 41 9.001 -4.217 -17.501 356 HA ALA 41 HA ALA 41 7.552 -6.659 -17.996 357 HB1 ALA 41 3HB ALA 41 8.578 -5.380 -19.847 358 HB2 ALA 41 1HB ALA 41 9.199 -7.033 -19.796 359 HB3 ALA 41 2HB ALA 41 10.183 -5.696 -19.191 360 H SER 42 H SER 42 10.235 -5.741 -16.030 361 HA SER 42 HA SER 42 11.126 -8.525 -15.583 362 HB2 SER 42 2HB SER 42 12.836 -6.748 -16.098 363 HB3 SER 42 1HB SER 42 12.369 -5.903 -14.621 364 HG SER 42 HG SER 42 13.093 -7.662 -13.425 365 H PHE 43 H PHE 43 8.600 -7.004 -14.512 366 HA PHE 43 HA PHE 43 8.814 -7.088 -11.663 367 HB2 PHE 43 2HB PHE 43 7.060 -5.814 -13.062 368 HB3 PHE 43 1HB PHE 43 6.263 -7.361 -13.322 369 HD1 PHE 43 HD1 PHE 43 7.491 -5.127 -10.572 370 HD2 PHE 43 HD2 PHE 43 4.596 -8.048 -11.764 371 HE1 PHE 43 HE1 PHE 43 6.278 -4.796 -8.468 372 HE2 PHE 43 HE2 PHE 43 3.397 -7.699 -9.655 373 HZ PHE 43 HZ PHE 43 4.228 -6.075 -8.003 374 HA PRO 44 HA PRO 44 9.218 -11.549 -11.618 375 HB2 PRO 44 2HB PRO 44 8.972 -12.072 -8.922 376 HB3 PRO 44 1HB PRO 44 10.404 -11.298 -9.635 377 HG2 PRO 44 2HG PRO 44 8.066 -10.000 -8.260 378 HG3 PRO 44 1HG PRO 44 9.805 -9.684 -8.055 379 HD2 PRO 44 2HD PRO 44 8.250 -8.086 -9.599 380 HD3 PRO 44 1HD PRO 44 9.949 -8.412 -10.020 381 H MET 45 H MET 45 6.269 -10.057 -10.556 382 HA MET 45 HA MET 45 4.864 -12.660 -10.325 383 HB2 MET 45 2HB MET 45 3.982 -9.918 -9.311 384 HB3 MET 45 1HB MET 45 3.159 -11.449 -9.021 385 HG2 MET 45 2HG MET 45 5.208 -12.233 -7.792 386 HG3 MET 45 1HG MET 45 5.874 -10.612 -7.966 387 HE1 MET 45 3HE MET 45 4.686 -8.432 -6.865 388 HE2 MET 45 1HE MET 45 3.257 -8.540 -5.836 389 HE3 MET 45 2HE MET 45 3.127 -8.877 -7.561 390 H ASN 46 H ASN 46 2.883 -12.941 -11.386 391 HA ASN 46 HA ASN 46 2.553 -11.691 -13.959 392 HB2 ASN 46 2HB ASN 46 0.927 -13.778 -12.440 393 HB3 ASN 46 1HB ASN 46 0.449 -13.178 -14.026 394 HD21 ASN 46 1HD2 ASN 46 2.925 -14.983 -12.280 395 HD22 ASN 46 2HD2 ASN 46 3.555 -15.791 -13.668 396 H GLU 47 H GLU 47 0.334 -10.911 -14.643 397 HA GLU 47 HA GLU 47 -0.327 -8.531 -13.292 398 HB2 GLU 47 2HB GLU 47 -1.866 -10.029 -15.449 399 HB3 GLU 47 1HB GLU 47 -2.175 -8.360 -14.967 400 HG2 GLU 47 2HG GLU 47 0.011 -7.660 -15.767 401 HG3 GLU 47 1HG GLU 47 0.473 -9.330 -16.093 402 H THR 48 H THR 48 -1.991 -11.670 -13.441 403 HA THR 48 HA THR 48 -4.231 -11.008 -11.867 404 HB THR 48 HB THR 48 -2.925 -13.739 -12.258 405 HG1 THR 48 HG1 THR 48 -4.980 -12.395 -13.722 406 HG21 THR 48 3HG2 THR 48 -5.773 -13.039 -11.432 407 HG22 THR 48 1HG2 THR 48 -4.544 -13.753 -10.379 408 HG23 THR 48 2HG2 THR 48 -5.172 -14.666 -11.753 409 H GLU 49 H GLU 49 -1.153 -12.667 -11.025 410 HA GLU 49 HA GLU 49 -1.658 -13.240 -8.331 411 HB2 GLU 49 2HB GLU 49 1.017 -12.717 -9.700 412 HB3 GLU 49 1HB GLU 49 0.821 -13.491 -8.126 413 HG2 GLU 49 2HG GLU 49 -0.397 -15.349 -9.179 414 HG3 GLU 49 1HG GLU 49 -0.229 -14.575 -10.758 415 H TYR 50 H TYR 50 -0.072 -10.445 -9.801 416 HA TYR 50 HA TYR 50 0.614 -9.003 -7.504 417 HB2 TYR 50 2HB TYR 50 1.631 -8.302 -9.539 418 HB3 TYR 50 1HB TYR 50 0.091 -8.210 -10.386 419 HD1 TYR 50 HD1 TYR 50 1.974 -6.610 -7.547 420 HD2 TYR 50 HD2 TYR 50 -0.965 -6.116 -10.626 421 HE1 TYR 50 HE1 TYR 50 1.759 -4.241 -6.971 422 HE2 TYR 50 HE2 TYR 50 -1.158 -3.744 -10.045 423 HH TYR 50 HH TYR 50 0.998 -2.173 -7.982 424 H GLN 51 H GLN 51 -2.364 -8.976 -9.479 425 HA GLN 51 HA GLN 51 -3.657 -6.886 -8.043 426 HB2 GLN 51 2HB GLN 51 -4.215 -7.583 -10.398 427 HB3 GLN 51 1HB GLN 51 -4.946 -9.052 -9.758 428 HG2 GLN 51 2HG GLN 51 -6.666 -7.395 -10.284 429 HG3 GLN 51 1HG GLN 51 -6.622 -7.703 -8.548 430 HE21 GLN 51 1HE2 GLN 51 -7.579 -5.731 -8.030 431 HE22 GLN 51 2HE2 GLN 51 -6.775 -4.212 -8.204 432 H GLU 52 H GLU 52 -3.469 -10.368 -7.601 433 HA GLU 52 HA GLU 52 -5.512 -10.578 -5.587 434 HB2 GLU 52 2HB GLU 52 -3.180 -12.466 -6.138 435 HB3 GLU 52 1HB GLU 52 -4.622 -12.840 -5.199 436 HG2 GLU 52 2HG GLU 52 -4.493 -12.311 -8.178 437 HG3 GLU 52 1HG GLU 52 -4.731 -13.867 -7.396 438 H HIS 53 H HIS 53 -2.066 -9.869 -5.633 439 HA HIS 53 HA HIS 53 -1.518 -10.025 -2.855 440 HB2 HIS 53 2HB HIS 53 0.319 -9.870 -4.495 441 HB3 HIS 53 1HB HIS 53 -0.239 -8.291 -5.025 442 HD1 HIS 53 HD1 HIS 53 1.683 -10.004 -2.340 443 HD2 HIS 53 HD2 HIS 53 0.471 -6.148 -3.297 444 HE1 HIS 53 HE1 HIS 53 2.987 -8.487 -0.831 445 HE2 HIS 53 HE2 HIS 53 2.507 -6.190 -1.722 446 H LEU 54 H LEU 54 -2.636 -7.413 -4.993 447 HA LEU 54 HA LEU 54 -2.842 -5.357 -3.067 448 HB2 LEU 54 2HB LEU 54 -4.459 -5.723 -5.616 449 HB3 LEU 54 1HB LEU 54 -4.309 -4.227 -4.699 450 HG LEU 54 HG LEU 54 -2.074 -5.625 -6.216 451 HD11 LEU 54 1HD1 LEU 54 -3.590 -3.067 -6.773 452 HD12 LEU 54 2HD1 LEU 54 -3.667 -4.573 -7.693 453 HD13 LEU 54 3HD1 LEU 54 -2.179 -3.633 -7.670 454 HD21 LEU 54 3HD2 LEU 54 -1.972 -3.026 -4.631 455 HD22 LEU 54 1HD2 LEU 54 -0.686 -3.652 -5.670 456 HD23 LEU 54 2HD2 LEU 54 -1.153 -4.534 -4.218 457 H ASP 55 H ASP 55 -5.099 -7.846 -4.166 458 HA ASP 55 HA ASP 55 -7.446 -6.984 -2.843 459 HB2 ASP 55 2HB ASP 55 -7.550 -8.631 -4.668 460 HB3 ASP 55 1HB ASP 55 -6.582 -9.777 -3.752 461 H SER 56 H SER 56 -4.870 -9.258 -1.911 462 HA SER 56 HA SER 56 -5.868 -10.081 0.589 463 HB2 SER 56 2HB SER 56 -4.001 -11.219 -0.609 464 HB3 SER 56 1HB SER 56 -2.948 -9.837 -0.295 465 HG SER 56 HG SER 56 -4.044 -11.699 1.524 466 H VAL 57 H VAL 57 -3.549 -7.507 -0.255 467 HA VAL 57 HA VAL 57 -3.114 -6.408 2.282 468 HB VAL 57 HB VAL 57 -2.948 -5.121 -0.485 469 HG11 VAL 57 1HG1 VAL 57 -1.941 -3.954 2.143 470 HG12 VAL 57 2HG1 VAL 57 -3.264 -3.314 1.169 471 HG13 VAL 57 3HG1 VAL 57 -1.617 -3.292 0.540 472 HG21 VAL 57 3HG2 VAL 57 -1.361 -6.986 -0.074 473 HG22 VAL 57 1HG2 VAL 57 -0.761 -6.163 1.365 474 HG23 VAL 57 2HG2 VAL 57 -0.505 -5.451 -0.228 475 H ALA 58 H ALA 58 -5.574 -5.698 -0.163 476 HA ALA 58 HA ALA 58 -6.760 -3.424 1.004 477 HB1 ALA 58 3HB ALA 58 -7.074 -4.045 -1.350 478 HB2 ALA 58 1HB ALA 58 -8.626 -3.855 -0.536 479 HB3 ALA 58 2HB ALA 58 -7.992 -5.474 -0.868 480 H ASN 59 H ASN 59 -7.304 -6.873 1.409 481 HA ASN 59 HA ASN 59 -9.690 -6.682 2.990 482 HB2 ASN 59 2HB ASN 59 -9.098 -8.691 1.614 483 HB3 ASN 59 1HB ASN 59 -7.756 -9.023 2.707 484 HD21 ASN 59 1HD2 ASN 59 -8.497 -10.957 3.469 485 HD22 ASN 59 2HD2 ASN 59 -9.932 -11.152 4.397 486 H TYR 60 H TYR 60 -6.217 -6.748 3.668 487 HA TYR 60 HA TYR 60 -6.484 -6.911 6.532 488 HB2 TYR 60 2HB TYR 60 -4.186 -6.090 4.721 489 HB3 TYR 60 1HB TYR 60 -4.067 -5.965 6.472 490 HD1 TYR 60 HD1 TYR 60 -4.772 -8.179 7.781 491 HD2 TYR 60 HD2 TYR 60 -3.367 -8.091 3.742 492 HE1 TYR 60 HE1 TYR 60 -4.076 -10.522 7.971 493 HE2 TYR 60 HE2 TYR 60 -2.675 -10.442 3.926 494 HH TYR 60 HH TYR 60 -2.022 -12.034 5.778 495 H LEU 61 H LEU 61 -6.311 -4.284 4.159 496 HA LEU 61 HA LEU 61 -6.190 -2.128 6.018 497 HB2 LEU 61 2HB LEU 61 -7.217 -2.167 3.152 498 HB3 LEU 61 1HB LEU 61 -6.885 -0.714 4.081 499 HG LEU 61 HG LEU 61 -4.851 -2.749 3.102 500 HD11 LEU 61 1HD1 LEU 61 -3.931 -0.915 1.774 501 HD12 LEU 61 2HD1 LEU 61 -5.209 0.160 2.353 502 HD13 LEU 61 3HD1 LEU 61 -5.613 -1.238 1.354 503 HD21 LEU 61 3HD2 LEU 61 -4.146 -2.024 5.314 504 HD22 LEU 61 1HD2 LEU 61 -4.339 -0.328 4.860 505 HD23 LEU 61 2HD2 LEU 61 -3.096 -1.320 4.089 506 H HIS 62 H HIS 62 -8.735 -4.038 4.636 507 HA HIS 62 HA HIS 62 -11.006 -2.693 5.706 508 HB2 HIS 62 2HB HIS 62 -11.408 -4.153 3.868 509 HB3 HIS 62 1HB HIS 62 -10.456 -5.451 4.571 510 HD1 HIS 62 HD1 HIS 62 -11.716 -7.234 5.766 511 HD2 HIS 62 HD2 HIS 62 -14.031 -3.824 5.200 512 HE1 HIS 62 HE1 HIS 62 -14.024 -7.845 6.536 513 HE2 HIS 62 HE2 HIS 62 -15.418 -5.792 6.138 514 H ALA 63 H ALA 63 -9.049 -5.488 6.787 515 HA ALA 63 HA ALA 63 -10.719 -6.260 8.959 516 HB1 ALA 63 3HB ALA 63 -8.876 -7.784 9.546 517 HB2 ALA 63 1HB ALA 63 -7.786 -6.911 8.458 518 HB3 ALA 63 2HB ALA 63 -9.162 -7.802 7.806 519 H LEU 64 H LEU 64 -7.762 -4.363 8.761 520 HA LEU 64 HA LEU 64 -7.482 -4.019 11.626 521 HB2 LEU 64 2HB LEU 64 -5.860 -2.897 9.303 522 HB3 LEU 64 1HB LEU 64 -5.399 -2.813 10.996 523 HG LEU 64 HG LEU 64 -5.693 -5.409 9.417 524 HD11 LEU 64 1HD1 LEU 64 -3.136 -3.959 10.174 525 HD12 LEU 64 2HD1 LEU 64 -3.806 -4.130 8.549 526 HD13 LEU 64 3HD1 LEU 64 -3.245 -5.555 9.420 527 HD21 LEU 64 3HD2 LEU 64 -4.571 -6.477 11.337 528 HD22 LEU 64 1HD2 LEU 64 -6.108 -5.747 11.798 529 HD23 LEU 64 2HD2 LEU 64 -4.592 -4.942 12.211 530 H GLY 65 H GLY 65 -8.857 -2.295 8.948 531 HA2 GLY 65 2HA GLY 65 -10.051 -0.317 8.867 532 HA3 GLY 65 1HA GLY 65 -9.652 -0.013 10.557 533 H GLY 66 H GLY 66 -7.270 -0.760 8.070 534 HA2 GLY 66 2HA GLY 66 -5.987 1.870 8.408 535 HA3 GLY 66 1HA GLY 66 -5.233 0.412 7.791 536 H ALA 67 H ALA 67 -8.316 0.927 6.433 537 HA ALA 67 HA ALA 67 -7.301 1.070 3.802 538 HB1 ALA 67 3HB ALA 67 -10.115 1.619 4.792 539 HB2 ALA 67 1HB ALA 67 -9.452 0.037 4.375 540 HB3 ALA 67 2HB ALA 67 -9.653 1.265 3.123 541 H VAL 68 H VAL 68 -9.234 3.497 5.557 542 HA VAL 68 HA VAL 68 -8.899 5.622 3.714 543 HB VAL 68 HB VAL 68 -9.636 5.778 6.685 544 HG11 VAL 68 1HG1 VAL 68 -10.761 7.912 6.121 545 HG12 VAL 68 2HG1 VAL 68 -10.188 7.778 4.457 546 HG13 VAL 68 3HG1 VAL 68 -9.031 7.994 5.771 547 HG21 VAL 68 3HG2 VAL 68 -11.137 4.244 5.472 548 HG22 VAL 68 1HG2 VAL 68 -11.461 5.493 4.268 549 HG23 VAL 68 2HG2 VAL 68 -11.998 5.715 5.937 550 H GLN 69 H GLN 69 -7.025 4.504 6.477 551 HA GLN 69 HA GLN 69 -5.393 6.721 7.020 552 HB2 GLN 69 2HB GLN 69 -4.635 3.773 7.216 553 HB3 GLN 69 1HB GLN 69 -3.798 5.097 8.022 554 HG2 GLN 69 2HG GLN 69 -6.695 4.381 8.549 555 HG3 GLN 69 1HG GLN 69 -5.351 3.713 9.466 556 HE21 GLN 69 1HE2 GLN 69 -5.978 4.569 11.414 557 HE22 GLN 69 2HE2 GLN 69 -5.960 6.257 11.775 558 H VAL 70 H VAL 70 -4.919 4.021 4.748 559 HA VAL 70 HA VAL 70 -2.426 4.758 3.655 560 HB VAL 70 HB VAL 70 -4.700 3.103 2.454 561 HG11 VAL 70 1HG1 VAL 70 -3.300 3.932 0.611 562 HG12 VAL 70 2HG1 VAL 70 -3.027 2.203 0.840 563 HG13 VAL 70 3HG1 VAL 70 -1.845 3.374 1.435 564 HG21 VAL 70 3HG2 VAL 70 -3.712 2.145 4.496 565 HG22 VAL 70 1HG2 VAL 70 -2.103 2.252 3.782 566 HG23 VAL 70 2HG2 VAL 70 -3.306 1.162 3.088 567 H LYS 71 H LYS 71 -5.756 5.372 2.580 568 HA LYS 71 HA LYS 71 -5.171 6.618 0.135 569 HB2 LYS 71 2HB LYS 71 -7.646 6.941 1.873 570 HB3 LYS 71 1HB LYS 71 -7.522 7.386 0.173 571 HG2 LYS 71 2HG LYS 71 -7.020 4.967 -0.344 572 HG3 LYS 71 1HG LYS 71 -7.375 4.597 1.345 573 HD2 LYS 71 2HD LYS 71 -9.365 4.135 0.055 574 HD3 LYS 71 1HD LYS 71 -9.672 5.587 1.012 575 HE2 LYS 71 2HE LYS 71 -9.158 6.975 -0.997 576 HE3 LYS 71 1HE LYS 71 -8.932 5.501 -1.936 577 HZ1 LYS 71 3HZ LYS 71 -11.448 6.357 -0.622 578 HZ2 LYS 71 1HZ LYS 71 -11.235 4.926 -1.492 579 HZ3 LYS 71 2HZ LYS 71 -11.113 6.415 -2.273 580 H THR 72 H THR 72 -5.795 7.979 3.330 581 HA THR 72 HA THR 72 -5.840 10.706 2.581 582 HB THR 72 HB THR 72 -5.296 9.502 5.337 583 HG1 THR 72 HG1 THR 72 -7.356 8.988 4.105 584 HG21 THR 72 3HG2 THR 72 -6.168 11.648 6.212 585 HG22 THR 72 1HG2 THR 72 -6.338 12.258 4.572 586 HG23 THR 72 2HG2 THR 72 -4.730 11.915 5.218 587 H PHE 73 H PHE 73 -3.296 8.544 3.852 588 HA PHE 73 HA PHE 73 -1.294 10.508 4.220 589 HB2 PHE 73 2HB PHE 73 -1.132 8.274 5.275 590 HB3 PHE 73 1HB PHE 73 -0.947 7.522 3.696 591 HD1 PHE 73 HD2 PHE 73 0.681 9.995 6.004 592 HD2 PHE 73 HD1 PHE 73 1.229 7.294 2.729 593 HE1 PHE 73 HE2 PHE 73 3.122 10.327 6.117 594 HE2 PHE 73 HE1 PHE 73 3.654 7.639 2.850 595 HZ PHE 73 HZ PHE 73 4.599 9.143 4.536 596 H ILE 74 H ILE 74 -1.913 8.246 1.507 597 HA ILE 74 HA ILE 74 0.288 8.992 -0.094 598 HB ILE 74 HB ILE 74 -2.301 7.548 -0.795 599 HG12 ILE 74 2HG1 ILE 74 0.578 6.619 -0.361 600 HG13 ILE 74 1HG1 ILE 74 -0.800 6.296 0.683 601 HG21 ILE 74 1HG2 ILE 74 -1.308 6.907 -2.972 602 HG22 ILE 74 2HG2 ILE 74 0.075 7.956 -2.652 603 HG23 ILE 74 3HG2 ILE 74 -1.530 8.656 -2.863 604 HD11 ILE 74 3HD1 ILE 74 -0.171 4.342 -0.588 605 HD12 ILE 74 1HD1 ILE 74 -0.395 5.216 -2.103 606 HD13 ILE 74 2HD1 ILE 74 -1.777 4.889 -1.056 607 H THR 75 H THR 75 -3.044 10.213 0.034 608 HA THR 75 HA THR 75 -2.924 11.939 -2.219 609 HB THR 75 HB THR 75 -4.701 12.105 0.254 610 HG1 THR 75 HG1 THR 75 -4.651 10.202 -1.365 611 HG21 THR 75 3HG2 THR 75 -4.761 14.263 -0.956 612 HG22 THR 75 1HG2 THR 75 -6.276 13.384 -1.205 613 HG23 THR 75 2HG2 THR 75 -5.053 13.415 -2.475 614 H GLN 76 H GLN 76 -1.924 12.333 1.146 615 HA GLN 76 HA GLN 76 -1.500 15.204 0.950 616 HB2 GLN 76 2HB GLN 76 -0.924 13.216 3.174 617 HB3 GLN 76 1HB GLN 76 -0.581 14.942 3.302 618 HG2 GLN 76 2HG GLN 76 -2.975 15.446 3.039 619 HG3 GLN 76 1HG GLN 76 -3.335 13.725 2.886 620 HE21 GLN 76 1HE2 GLN 76 -2.981 12.373 4.735 621 HE22 GLN 76 2HE2 GLN 76 -2.989 13.033 6.333 622 H THR 77 H THR 77 0.553 12.283 0.879 623 HA THR 77 HA THR 77 3.017 13.776 1.130 624 HB THR 77 HB THR 77 2.959 11.449 1.964 625 HG1 THR 77 HG1 THR 77 5.018 11.394 1.509 626 HG21 THR 77 3HG2 THR 77 3.042 9.514 0.438 627 HG22 THR 77 1HG2 THR 77 2.763 10.579 -0.947 628 HG23 THR 77 2HG2 THR 77 1.507 10.366 0.273 629 H LYS 78 H LYS 78 4.296 14.517 -0.444 630 HA LYS 78 HA LYS 78 3.436 14.261 -3.264 631 HB2 LYS 78 2HB LYS 78 5.264 16.365 -2.028 632 HB3 LYS 78 1HB LYS 78 4.588 16.364 -3.659 633 HG2 LYS 78 2HG LYS 78 2.275 16.472 -2.582 634 HG3 LYS 78 1HG LYS 78 3.096 16.749 -1.042 635 HD2 LYS 78 2HD LYS 78 2.436 18.898 -1.953 636 HD3 LYS 78 1HD LYS 78 4.197 18.774 -2.061 637 HE2 LYS 78 2HE LYS 78 3.962 18.102 -4.458 638 HE3 LYS 78 1HE LYS 78 2.216 18.317 -4.323 639 HZ1 LYS 78 3HZ LYS 78 4.256 20.437 -3.955 640 HZ2 LYS 78 1HZ LYS 78 2.587 20.645 -3.829 641 HZ3 LYS 78 2HZ LYS 78 3.272 20.229 -5.313 642 H GLU 79 H GLU 79 5.317 12.605 -1.366 643 HA GLU 79 HA GLU 79 7.783 12.423 -2.906 644 HB2 GLU 79 2HB GLU 79 6.676 10.673 -0.664 645 HB3 GLU 79 1HB GLU 79 8.307 10.561 -1.333 646 HG2 GLU 79 2HG GLU 79 8.835 12.799 -0.495 647 HG3 GLU 79 1HG GLU 79 7.183 12.991 0.102 648 H ARG 80 H ARG 80 8.429 10.213 -3.721 649 HA ARG 80 HA ARG 80 6.183 8.601 -4.784 650 HB2 ARG 80 2HB ARG 80 8.589 9.677 -6.314 651 HB3 ARG 80 1HB ARG 80 7.633 8.324 -6.907 652 HG2 ARG 80 2HG ARG 80 5.682 9.689 -7.150 653 HG3 ARG 80 1HG ARG 80 6.428 11.030 -6.292 654 HD2 ARG 80 2HD ARG 80 8.059 11.294 -8.128 655 HD3 ARG 80 1HD ARG 80 7.311 9.942 -8.986 656 HE ARG 80 HE ARG 80 5.236 11.612 -8.630 657 HH11 ARG 80 1HH1 ARG 80 8.447 12.221 -9.931 658 HH12 ARG 80 2HH1 ARG 80 7.908 13.490 -10.984 659 HH21 ARG 80 1HH2 ARG 80 4.540 13.258 -10.016 660 HH22 ARG 80 2HH2 ARG 80 5.687 14.075 -11.030 661 HA PRO 81 HA PRO 81 8.812 5.105 -3.513 662 HB2 PRO 81 2HB PRO 81 7.567 3.448 -5.638 663 HB3 PRO 81 1HB PRO 81 7.421 3.288 -3.876 664 HG2 PRO 81 2HG PRO 81 5.356 4.093 -5.443 665 HG3 PRO 81 1HG PRO 81 5.559 4.626 -3.759 666 HD2 PRO 81 2HD PRO 81 6.204 6.132 -6.295 667 HD3 PRO 81 1HD PRO 81 5.475 6.715 -4.781 668 H ARG 82 H ARG 82 10.884 5.027 -4.128 669 HA ARG 82 HA ARG 82 11.681 4.919 -6.975 670 HB2 ARG 82 2HB ARG 82 11.834 7.267 -5.964 671 HB3 ARG 82 1HB ARG 82 13.058 6.642 -4.859 672 HG2 ARG 82 2HG ARG 82 14.539 6.130 -6.734 673 HG3 ARG 82 1HG ARG 82 13.289 6.601 -7.887 674 HD2 ARG 82 2HD ARG 82 13.387 8.920 -7.013 675 HD3 ARG 82 1HD ARG 82 14.675 8.431 -5.905 676 HE ARG 82 HE ARG 82 15.117 7.992 -8.767 677 HH11 ARG 82 1HH1 ARG 82 15.795 9.985 -5.954 678 HH12 ARG 82 2HH1 ARG 82 17.183 10.743 -6.670 679 HH21 ARG 82 1HH2 ARG 82 16.932 8.999 -9.714 680 HH22 ARG 82 2HH2 ARG 82 17.828 10.181 -8.809 681 H LEU 83 H LEU 83 14.002 4.163 -7.179 682 HA LEU 83 HA LEU 83 14.256 1.616 -6.085 683 HB2 LEU 83 2HB LEU 83 15.229 2.332 -8.242 684 HB3 LEU 83 1HB LEU 83 16.385 3.351 -7.393 685 HG LEU 83 HG LEU 83 17.417 1.300 -6.382 686 HD11 LEU 83 1HD1 LEU 83 16.854 -0.935 -7.246 687 HD12 LEU 83 2HD1 LEU 83 15.518 -0.241 -8.171 688 HD13 LEU 83 3HD1 LEU 83 15.489 -0.194 -6.407 689 HD21 LEU 83 3HD2 LEU 83 17.319 1.284 -9.415 690 HD22 LEU 83 1HD2 LEU 83 18.555 0.513 -8.415 691 HD23 LEU 83 2HD2 LEU 83 18.387 2.267 -8.410 692 H GLY 84 H GLY 84 14.433 1.332 -3.931 693 HA2 GLY 84 2HA GLY 84 15.924 0.955 -2.081 694 HA3 GLY 84 1HA GLY 84 16.781 2.436 -2.478 695 H LYS 85 H LYS 85 14.164 3.835 -2.922 696 HA LYS 85 HA LYS 85 13.577 4.504 -0.100 697 HB2 LYS 85 2HB LYS 85 14.477 6.319 -1.501 698 HB3 LYS 85 1HB LYS 85 13.211 6.061 -2.696 699 HG2 LYS 85 2HG LYS 85 11.509 6.826 -1.092 700 HG3 LYS 85 1HG LYS 85 12.756 7.028 0.146 701 HD2 LYS 85 2HD LYS 85 13.860 8.757 -1.241 702 HD3 LYS 85 1HD LYS 85 12.635 8.543 -2.496 703 HE2 LYS 85 2HE LYS 85 12.086 9.501 0.334 704 HE3 LYS 85 1HE LYS 85 12.216 10.542 -1.085 705 HZ1 LYS 85 3HZ LYS 85 10.189 8.410 -0.680 706 HZ2 LYS 85 1HZ LYS 85 10.321 9.395 -2.054 707 HZ3 LYS 85 2HZ LYS 85 9.924 10.077 -0.554 708 H ALA 86 H ALA 86 11.873 3.197 0.510 709 HA ALA 86 HA ALA 86 9.482 2.864 -1.158 710 HB1 ALA 86 3HB ALA 86 8.669 1.437 0.678 711 HB2 ALA 86 1HB ALA 86 10.054 1.905 1.673 712 HB3 ALA 86 2HB ALA 86 10.303 0.960 0.203 713 H VAL 87 H VAL 87 7.355 3.532 -0.376 714 HA VAL 87 HA VAL 87 7.373 6.017 1.218 715 HB VAL 87 HB VAL 87 5.133 4.826 -0.498 716 HG11 VAL 87 1HG1 VAL 87 3.973 7.003 -0.197 717 HG12 VAL 87 2HG1 VAL 87 5.247 7.527 0.907 718 HG13 VAL 87 3HG1 VAL 87 4.201 6.175 1.347 719 HG21 VAL 87 3HG2 VAL 87 7.018 5.620 -1.875 720 HG22 VAL 87 1HG2 VAL 87 6.964 7.189 -1.066 721 HG23 VAL 87 2HG2 VAL 87 5.614 6.670 -2.079 722 H SER 88 H SER 88 7.467 5.346 3.307 723 HA SER 88 HA SER 88 5.996 3.083 4.333 724 HB2 SER 88 2HB SER 88 8.233 3.653 5.235 725 HB3 SER 88 1HB SER 88 7.630 5.214 5.792 726 HG SER 88 HG SER 88 6.523 4.242 7.370 727 H ILE 89 H ILE 89 3.880 3.267 4.548 728 HA ILE 89 HA ILE 89 2.555 5.788 5.243 729 HB ILE 89 HB ILE 89 1.360 3.070 4.545 730 HG12 ILE 89 2HG1 ILE 89 1.615 5.532 2.759 731 HG13 ILE 89 1HG1 ILE 89 2.687 4.140 2.683 732 HG21 ILE 89 1HG2 ILE 89 -0.013 5.780 4.763 733 HG22 ILE 89 2HG2 ILE 89 -0.192 4.439 5.896 734 HG23 ILE 89 3HG2 ILE 89 -0.777 4.277 4.240 735 HD11 ILE 89 3HD1 ILE 89 1.028 4.067 0.955 736 HD12 ILE 89 1HD1 ILE 89 -0.269 4.122 2.148 737 HD13 ILE 89 2HD1 ILE 89 0.813 2.725 2.078 738 HA PRO 90 HA PRO 90 2.444 4.206 9.577 739 HB2 PRO 90 2HB PRO 90 1.382 6.538 10.650 740 HB3 PRO 90 1HB PRO 90 3.118 6.306 10.357 741 HG2 PRO 90 2HG PRO 90 1.109 7.768 8.676 742 HG3 PRO 90 1HG PRO 90 2.782 8.222 9.080 743 HD2 PRO 90 2HD PRO 90 2.138 7.125 6.685 744 HD3 PRO 90 1HD PRO 90 3.703 6.820 7.468 745 H LEU 91 H LEU 91 0.821 2.741 9.723 746 HA LEU 91 HA LEU 91 -1.996 3.540 9.334 747 HB2 LEU 91 2HB LEU 91 -0.813 0.785 9.897 748 HB3 LEU 91 1HB LEU 91 -2.491 1.127 9.501 749 HG LEU 91 HG LEU 91 -0.096 1.410 7.637 750 HD11 LEU 91 1HD1 LEU 91 -2.421 -0.539 7.572 751 HD12 LEU 91 2HD1 LEU 91 -0.751 -0.913 8.009 752 HD13 LEU 91 3HD1 LEU 91 -1.136 -0.413 6.364 753 HD21 LEU 91 3HD2 LEU 91 -1.728 1.982 5.876 754 HD22 LEU 91 1HD2 LEU 91 -1.697 3.188 7.161 755 HD23 LEU 91 2HD2 LEU 91 -3.020 2.022 7.080 756 H ASP 92 H ASP 92 -2.819 4.476 11.131 757 HA ASP 92 HA ASP 92 -1.756 4.023 13.752 758 HB2 ASP 92 2HB ASP 92 -2.711 6.235 13.280 759 HB3 ASP 92 1HB ASP 92 -4.282 5.521 12.919 760 H LEU 93 H LEU 93 -1.953 1.823 14.088 761 HA LEU 93 HA LEU 93 -4.657 0.914 14.879 762 HB2 LEU 93 2HB LEU 93 -2.100 -0.717 14.630 763 HB3 LEU 93 1HB LEU 93 -3.692 -1.344 15.034 764 HG LEU 93 HG LEU 93 -2.747 -0.267 12.348 765 HD11 LEU 93 1HD1 LEU 93 -3.334 -2.488 11.525 766 HD12 LEU 93 2HD1 LEU 93 -3.840 -2.976 13.145 767 HD13 LEU 93 3HD1 LEU 93 -2.148 -2.584 12.827 768 HD21 LEU 93 3HD2 LEU 93 -5.034 -0.664 11.468 769 HD22 LEU 93 1HD2 LEU 93 -5.003 0.623 12.674 770 HD23 LEU 93 2HD2 LEU 93 -5.606 -0.978 13.109 771 H GLY 94 H GLY 94 -3.100 2.992 16.188 772 HA2 GLY 94 2HA GLY 94 -2.707 1.868 18.872 773 HA3 GLY 94 1HA GLY 94 -2.527 3.555 18.384 774 H GLU 95 H GLU 95 -4.565 4.612 17.572 775 HA GLU 95 HA GLU 95 -6.583 4.390 19.639 776 HB2 GLU 95 2HB GLU 95 -5.725 6.598 18.860 777 HB3 GLU 95 1HB GLU 95 -6.392 6.284 17.260 778 HG2 GLU 95 2HG GLU 95 -8.684 6.102 18.421 779 HG3 GLU 95 1HG GLU 95 -7.898 6.781 19.846 780 H ARG 96 H ARG 96 -6.390 3.887 16.099 781 HA ARG 96 HA ARG 96 -9.224 3.389 15.826 782 HB2 ARG 96 2HB ARG 96 -7.061 2.859 13.763 783 HB3 ARG 96 1HB ARG 96 -8.792 2.942 13.467 784 HG2 ARG 96 2HG ARG 96 -6.878 5.196 14.094 785 HG3 ARG 96 1HG ARG 96 -7.920 4.997 12.688 786 HD2 ARG 96 2HD ARG 96 -8.753 5.731 15.511 787 HD3 ARG 96 1HD ARG 96 -8.816 6.752 14.077 788 HE ARG 96 HE ARG 96 -10.510 5.076 13.212 789 HH11 ARG 96 1HH1 ARG 96 -10.121 5.656 16.657 790 HH12 ARG 96 2HH1 ARG 96 -11.746 5.203 17.046 791 HH21 ARG 96 1HH2 ARG 96 -12.672 4.496 13.744 792 HH22 ARG 96 2HH2 ARG 96 -13.189 4.550 15.402 793 H ALA 97 H ALA 97 -6.627 1.432 16.807 794 HA ALA 97 HA ALA 97 -7.897 -1.104 16.159 795 HB1 ALA 97 3HB ALA 97 -5.535 -0.494 17.965 796 HB2 ALA 97 1HB ALA 97 -5.457 -1.003 16.278 797 HB3 ALA 97 2HB ALA 97 -6.088 -2.109 17.501 798 H SER 98 H SER 98 -7.970 1.263 18.723 799 HA SER 98 HA SER 98 -8.609 -0.380 20.928 800 HB2 SER 98 2HB SER 98 -7.721 1.932 21.131 801 HB3 SER 98 1HB SER 98 -9.237 2.571 20.497 802 HG SER 98 HG SER 98 -9.800 0.970 22.554 803 H GLU 99 H GLU 99 -10.511 0.360 18.253 804 HA GLU 99 HA GLU 99 -13.120 0.575 19.197 805 HB2 GLU 99 2HB GLU 99 -12.293 -0.930 16.682 806 HB3 GLU 99 1HB GLU 99 -13.836 -0.137 16.981 807 HG2 GLU 99 2HG GLU 99 -11.145 1.182 16.535 808 HG3 GLU 99 1HG GLU 99 -12.528 1.200 15.446 809 H TRP 100 H TRP 100 -11.279 -2.413 18.326 810 HA TRP 100 HA TRP 100 -13.440 -4.124 19.183 811 HB2 TRP 100 2HB TRP 100 -12.077 -6.029 18.545 812 HB3 TRP 100 1HB TRP 100 -12.020 -4.819 17.276 813 HD1 TRP 100 HD1 TRP 100 -9.636 -3.733 16.731 814 HE1 TRP 100 HE1 TRP 100 -7.232 -4.402 17.338 815 HE3 TRP 100 HE3 TRP 100 -10.626 -7.079 20.473 816 HZ2 TRP 100 HZ2 TRP 100 -5.919 -6.123 19.131 817 HZ3 TRP 100 HZ3 TRP 100 -8.737 -8.204 21.582 818 HH2 TRP 100 HH2 TRP 100 -6.425 -7.735 20.924 819 H ILE 101 H ILE 101 -10.673 -2.719 20.744 820 HA ILE 101 HA ILE 101 -10.432 -4.555 22.915 821 HB ILE 101 HB ILE 101 -9.608 -1.626 22.670 822 HG12 ILE 101 2HG1 ILE 101 -7.273 -2.683 23.091 823 HG13 ILE 101 1HG1 ILE 101 -8.049 -4.244 22.864 824 HG21 ILE 101 1HG2 ILE 101 -8.520 -1.756 24.904 825 HG22 ILE 101 2HG2 ILE 101 -9.272 -3.331 25.167 826 HG23 ILE 101 3HG2 ILE 101 -10.279 -1.889 25.017 827 HD11 ILE 101 3HD1 ILE 101 -6.903 -3.503 20.874 828 HD12 ILE 101 1HD1 ILE 101 -7.876 -2.034 20.836 829 HD13 ILE 101 2HD1 ILE 101 -8.641 -3.605 20.591 830 H ILE 102 H ILE 102 -12.361 -5.107 23.696 831 HA ILE 102 HA ILE 102 -13.831 -3.141 25.358 832 HB ILE 102 HB ILE 102 -14.898 -5.727 24.114 833 HG12 ILE 102 2HG1 ILE 102 -14.706 -3.887 22.453 834 HG13 ILE 102 1HG1 ILE 102 -16.394 -4.279 22.758 835 HG21 ILE 102 1HG2 ILE 102 -17.109 -5.101 25.067 836 HG22 ILE 102 2HG2 ILE 102 -16.352 -3.746 25.907 837 HG23 ILE 102 3HG2 ILE 102 -15.903 -5.400 26.321 838 HD11 ILE 102 3HD1 ILE 102 -16.072 -1.893 22.564 839 HD12 ILE 102 1HD1 ILE 102 -14.880 -1.908 23.864 840 HD13 ILE 102 2HD1 ILE 102 -16.571 -2.292 24.207 841 H LEU 103 H LEU 103 -12.444 -6.366 24.984 842 HA LEU 103 HA LEU 103 -11.463 -7.853 26.347 843 HB2 LEU 103 2HB LEU 103 -11.255 -5.537 28.312 844 HB3 LEU 103 1HB LEU 103 -10.353 -7.041 28.413 845 HG LEU 103 HG LEU 103 -10.058 -4.946 26.209 846 HD11 LEU 103 1HD1 LEU 103 -8.156 -5.604 28.484 847 HD12 LEU 103 2HD1 LEU 103 -9.126 -4.139 28.319 848 HD13 LEU 103 3HD1 LEU 103 -7.846 -4.478 27.159 849 HD21 LEU 103 3HD2 LEU 103 -8.485 -7.512 26.633 850 HD22 LEU 103 1HD2 LEU 103 -8.129 -6.262 25.436 851 HD23 LEU 103 2HD2 LEU 103 -9.626 -7.182 25.325 852 H GLU 104 H GLU 104 -13.418 -9.018 26.435 853 HA GLU 104 HA GLU 104 -14.954 -8.876 28.951 854 HB2 GLU 104 2HB GLU 104 -16.971 -9.558 27.526 855 HB3 GLU 104 1HB GLU 104 -16.388 -7.913 27.311 856 HG2 GLU 104 2HG GLU 104 -15.294 -8.532 25.205 857 HG3 GLU 104 1HG GLU 104 -15.778 -10.213 25.420 Start of MODEL 5 1 H1 MET 1 1H MET 1 -11.995 1.563 1.183 2 H2 MET 1 2H MET 1 -12.308 -0.055 1.556 3 H3 MET 1 3H MET 1 -12.845 0.596 0.090 4 HA MET 1 HA MET 1 -10.671 0.870 -0.715 5 HB2 MET 1 2HB MET 1 -9.535 1.438 1.392 6 HB3 MET 1 1HB MET 1 -9.757 -0.205 1.984 7 HG2 MET 1 2HG MET 1 -7.472 0.075 1.213 8 HG3 MET 1 1HG MET 1 -8.300 -1.040 0.142 9 HE1 MET 1 3HE MET 1 -6.425 2.324 0.518 10 HE2 MET 1 1HE MET 1 -8.068 2.958 0.412 11 HE3 MET 1 2HE MET 1 -6.929 3.235 -0.906 12 H THR 2 H THR 2 -10.806 -0.634 -2.219 13 HA THR 2 HA THR 2 -10.583 -3.518 -1.540 14 HB THR 2 HB THR 2 -11.469 -3.873 -3.912 15 HG1 THR 2 HG1 THR 2 -12.724 -1.898 -4.641 16 HG21 THR 2 3HG2 THR 2 -13.007 -4.126 -1.997 17 HG22 THR 2 1HG2 THR 2 -13.837 -3.433 -3.389 18 HG23 THR 2 2HG2 THR 2 -13.360 -2.394 -2.044 19 H GLY 3 H GLY 3 -9.365 -4.675 -3.464 20 HA2 GLY 3 2HA GLY 3 -6.762 -3.648 -3.845 21 HA3 GLY 3 1HA GLY 3 -7.491 -4.958 -4.764 22 H GLN 4 H GLN 4 -9.722 -3.212 -5.609 23 HA GLN 4 HA GLN 4 -8.735 -1.990 -7.971 24 HB2 GLN 4 2HB GLN 4 -11.013 -2.898 -7.822 25 HB3 GLN 4 1HB GLN 4 -11.418 -1.759 -6.548 26 HG2 GLN 4 2HG GLN 4 -12.427 -1.074 -8.661 27 HG3 GLN 4 1HG GLN 4 -11.229 0.112 -8.144 28 HE21 GLN 4 1HE2 GLN 4 -11.109 0.895 -10.279 29 HE22 GLN 4 2HE2 GLN 4 -10.258 0.047 -11.520 30 H GLU 5 H GLU 5 -10.227 -0.534 -5.020 31 HA GLU 5 HA GLU 5 -9.816 2.167 -5.672 32 HB2 GLU 5 2HB GLU 5 -10.065 0.834 -2.945 33 HB3 GLU 5 1HB GLU 5 -10.126 2.577 -3.194 34 HG2 GLU 5 2HG GLU 5 -12.164 2.333 -4.549 35 HG3 GLU 5 1HG GLU 5 -12.092 0.575 -4.349 36 H LEU 6 H LEU 6 -7.832 -0.019 -3.711 37 HA LEU 6 HA LEU 6 -5.747 1.597 -2.905 38 HB2 LEU 6 2HB LEU 6 -6.158 -0.689 -2.114 39 HB3 LEU 6 1HB LEU 6 -5.771 -1.338 -3.696 40 HG LEU 6 HG LEU 6 -3.401 -0.673 -3.405 41 HD11 LEU 6 1HD1 LEU 6 -4.231 0.308 -0.657 42 HD12 LEU 6 2HD1 LEU 6 -3.646 1.302 -1.995 43 HD13 LEU 6 3HD1 LEU 6 -2.569 0.136 -1.231 44 HD21 LEU 6 3HD2 LEU 6 -4.517 -2.302 -1.105 45 HD22 LEU 6 1HD2 LEU 6 -2.838 -2.301 -1.651 46 HD23 LEU 6 2HD2 LEU 6 -4.105 -2.902 -2.716 47 H ARG 7 H ARG 7 -5.975 -0.375 -5.886 48 HA ARG 7 HA ARG 7 -3.490 0.378 -7.014 49 HB2 ARG 7 2HB ARG 7 -4.873 -1.634 -7.658 50 HB3 ARG 7 1HB ARG 7 -5.987 -0.555 -8.485 51 HG2 ARG 7 2HG ARG 7 -4.199 0.140 -10.025 52 HG3 ARG 7 1HG ARG 7 -3.047 -0.884 -9.163 53 HD2 ARG 7 2HD ARG 7 -4.473 -2.867 -9.746 54 HD3 ARG 7 1HD ARG 7 -5.472 -1.800 -10.740 55 HE ARG 7 HE ARG 7 -3.075 -1.328 -11.774 56 HH11 ARG 7 1HH1 ARG 7 -4.593 -4.406 -10.983 57 HH12 ARG 7 2HH1 ARG 7 -3.753 -5.265 -12.227 58 HH21 ARG 7 1HH2 ARG 7 -1.962 -2.474 -13.362 59 HH22 ARG 7 2HH2 ARG 7 -2.260 -4.172 -13.577 60 H GLN 8 H GLN 8 -6.766 1.658 -7.365 61 HA GLN 8 HA GLN 8 -6.219 3.546 -9.421 62 HB2 GLN 8 2HB GLN 8 -8.507 3.338 -7.419 63 HB3 GLN 8 1HB GLN 8 -8.454 4.545 -8.700 64 HG2 GLN 8 2HG GLN 8 -8.411 1.551 -9.193 65 HG3 GLN 8 1HG GLN 8 -9.868 2.541 -9.200 66 HE21 GLN 8 1HE2 GLN 8 -6.831 1.931 -10.847 67 HE22 GLN 8 2HE2 GLN 8 -7.297 2.636 -12.355 68 H LEU 9 H LEU 9 -5.736 3.547 -5.979 69 HA LEU 9 HA LEU 9 -5.508 6.413 -5.669 70 HB2 LEU 9 2HB LEU 9 -6.144 4.848 -3.824 71 HB3 LEU 9 1HB LEU 9 -4.543 4.139 -3.887 72 HG LEU 9 HG LEU 9 -3.549 6.277 -3.105 73 HD11 LEU 9 1HD1 LEU 9 -6.396 7.305 -2.932 74 HD12 LEU 9 2HD1 LEU 9 -5.145 7.874 -4.045 75 HD13 LEU 9 3HD1 LEU 9 -4.957 8.120 -2.310 76 HD21 LEU 9 3HD2 LEU 9 -4.196 4.585 -1.455 77 HD22 LEU 9 1HD2 LEU 9 -5.809 5.299 -1.334 78 HD23 LEU 9 2HD2 LEU 9 -4.391 6.212 -0.806 79 H LEU 10 H LEU 10 -3.341 3.694 -6.301 80 HA LEU 10 HA LEU 10 -0.856 5.120 -6.204 81 HB2 LEU 10 2HB LEU 10 -1.418 2.590 -7.803 82 HB3 LEU 10 1HB LEU 10 0.128 3.120 -7.156 83 HG LEU 10 HG LEU 10 -2.233 2.159 -5.492 84 HD11 LEU 10 1HD1 LEU 10 -1.287 0.326 -6.776 85 HD12 LEU 10 2HD1 LEU 10 -0.937 0.138 -5.060 86 HD13 LEU 10 3HD1 LEU 10 0.327 0.697 -6.162 87 HD21 LEU 10 3HD2 LEU 10 -0.888 3.749 -4.237 88 HD22 LEU 10 1HD2 LEU 10 0.584 2.845 -4.611 89 HD23 LEU 10 2HD2 LEU 10 -0.670 2.122 -3.598 90 H LEU 11 H LEU 11 -3.240 4.390 -8.684 91 HA LEU 11 HA LEU 11 -1.722 5.386 -10.932 92 HB2 LEU 11 2HB LEU 11 -4.574 4.396 -10.586 93 HB3 LEU 11 1HB LEU 11 -3.972 4.986 -12.129 94 HG LEU 11 HG LEU 11 -2.737 2.633 -10.635 95 HD11 LEU 11 1HD1 LEU 11 -4.688 2.544 -12.954 96 HD12 LEU 11 2HD1 LEU 11 -5.032 2.074 -11.287 97 HD13 LEU 11 3HD1 LEU 11 -3.855 1.163 -12.229 98 HD21 LEU 11 3HD2 LEU 11 -1.188 3.749 -12.158 99 HD22 LEU 11 1HD2 LEU 11 -2.353 3.614 -13.481 100 HD23 LEU 11 2HD2 LEU 11 -1.634 2.162 -12.777 101 H ASP 12 H ASP 12 -4.299 6.596 -8.836 102 HA ASP 12 HA ASP 12 -4.931 8.979 -10.291 103 HB2 ASP 12 2HB ASP 12 -6.398 7.943 -8.495 104 HB3 ASP 12 1HB ASP 12 -5.259 8.505 -7.282 105 H LYS 13 H LYS 13 -2.729 8.242 -7.622 106 HA LYS 13 HA LYS 13 -1.844 10.957 -7.276 107 HB2 LYS 13 2HB LYS 13 -1.969 9.300 -5.402 108 HB3 LYS 13 1HB LYS 13 -0.685 8.371 -6.165 109 HG2 LYS 13 2HG LYS 13 0.269 9.672 -4.377 110 HG3 LYS 13 1HG LYS 13 0.843 10.327 -5.915 111 HD2 LYS 13 2HD LYS 13 -0.949 12.101 -5.752 112 HD3 LYS 13 1HD LYS 13 -1.354 11.477 -4.148 113 HE2 LYS 13 2HE LYS 13 1.015 11.953 -3.446 114 HE3 LYS 13 1HE LYS 13 1.272 12.722 -5.017 115 HZ1 LYS 13 3HZ LYS 13 0.725 14.328 -3.294 116 HZ2 LYS 13 1HZ LYS 13 -0.749 13.552 -3.004 117 HZ3 LYS 13 2HZ LYS 13 -0.468 14.303 -4.491 118 H TRP 14 H TRP 14 -0.108 7.962 -8.249 119 HA TRP 14 HA TRP 14 2.110 9.622 -9.258 120 HB2 TRP 14 2HB TRP 14 2.011 6.654 -8.566 121 HB3 TRP 14 1HB TRP 14 3.456 7.545 -9.048 122 HD1 TRP 14 HD1 TRP 14 3.636 9.970 -7.291 123 HE1 TRP 14 HE1 TRP 14 3.774 9.878 -4.724 124 HE3 TRP 14 HE3 TRP 14 1.589 5.349 -6.507 125 HZ2 TRP 14 HZ2 TRP 14 3.110 8.126 -2.649 126 HZ3 TRP 14 HZ3 TRP 14 1.385 4.546 -4.189 127 HH2 TRP 14 HH2 TRP 14 2.126 5.902 -2.297 128 H GLY 15 H GLY 15 -0.139 7.095 -10.315 129 HA2 GLY 15 2HA GLY 15 -0.956 6.946 -12.535 130 HA3 GLY 15 1HA GLY 15 0.493 7.735 -13.132 131 H TYR 16 H TYR 16 1.247 5.330 -10.884 132 HA TYR 16 HA TYR 16 1.454 3.194 -12.927 133 HB2 TYR 16 2HB TYR 16 3.650 3.889 -10.927 134 HB3 TYR 16 1HB TYR 16 3.691 2.570 -12.085 135 HD1 TYR 16 HD1 TYR 16 3.990 3.053 -14.527 136 HD2 TYR 16 HD2 TYR 16 4.145 6.172 -11.604 137 HE1 TYR 16 HE1 TYR 16 5.008 4.563 -16.181 138 HE2 TYR 16 HE2 TYR 16 5.165 7.679 -13.259 139 HH TYR 16 HH TYR 16 6.440 7.540 -15.354 140 H SER 17 H SER 17 1.104 1.153 -12.174 141 HA SER 17 HA SER 17 -0.220 0.870 -9.601 142 HB2 SER 17 2HB SER 17 0.269 -1.172 -11.818 143 HB3 SER 17 1HB SER 17 -0.804 -1.380 -10.434 144 HG SER 17 HG SER 17 -1.071 0.569 -12.481 145 H TYR 18 H TYR 18 1.445 1.039 -8.070 146 HA TYR 18 HA TYR 18 3.882 -0.559 -8.279 147 HB2 TYR 18 2HB TYR 18 2.948 1.369 -6.112 148 HB3 TYR 18 1HB TYR 18 4.514 0.568 -6.127 149 HD1 TYR 18 HD1 TYR 18 6.158 1.116 -7.981 150 HD2 TYR 18 HD2 TYR 18 2.595 3.389 -7.334 151 HE1 TYR 18 HE1 TYR 18 7.118 2.991 -9.246 152 HE2 TYR 18 HE2 TYR 18 3.554 5.251 -8.599 153 HH TYR 18 HH TYR 18 6.344 4.935 -10.504 154 H ASP 19 H ASP 19 4.480 -2.159 -6.816 155 HA ASP 19 HA ASP 19 2.517 -3.735 -5.498 156 HB2 ASP 19 2HB ASP 19 4.527 -4.809 -6.376 157 HB3 ASP 19 1HB ASP 19 5.567 -3.756 -5.417 158 H VAL 20 H VAL 20 1.917 -3.698 -3.393 159 HA VAL 20 HA VAL 20 3.243 -1.815 -1.517 160 HB VAL 20 HB VAL 20 0.981 -1.417 -0.479 161 HG11 VAL 20 1HG1 VAL 20 0.115 0.158 -2.171 162 HG12 VAL 20 2HG1 VAL 20 1.127 -0.598 -3.407 163 HG13 VAL 20 3HG1 VAL 20 1.874 0.246 -2.050 164 HG21 VAL 20 3HG2 VAL 20 -0.213 -3.421 -1.243 165 HG22 VAL 20 1HG2 VAL 20 -0.127 -2.866 -2.916 166 HG23 VAL 20 2HG2 VAL 20 -1.086 -1.968 -1.733 167 H GLN 21 H GLN 21 3.940 -2.774 0.291 168 HA GLN 21 HA GLN 21 2.891 -5.428 1.105 169 HB2 GLN 21 2HB GLN 21 5.814 -4.616 0.777 170 HB3 GLN 21 1HB GLN 21 5.332 -5.971 1.793 171 HG2 GLN 21 2HG GLN 21 4.344 -7.099 -0.148 172 HG3 GLN 21 1HG GLN 21 4.802 -5.745 -1.186 173 HE21 GLN 21 1HE2 GLN 21 6.979 -5.504 -1.772 174 HE22 GLN 21 2HE2 GLN 21 8.162 -6.736 -1.491 175 H PHE 22 H PHE 22 2.703 -5.762 3.229 176 HA PHE 22 HA PHE 22 2.810 -3.568 5.058 177 HB2 PHE 22 2HB PHE 22 2.124 -6.511 5.405 178 HB3 PHE 22 1HB PHE 22 2.092 -5.362 6.734 179 HD1 PHE 22 HD1 PHE 22 0.691 -3.147 6.284 180 HD2 PHE 22 HD2 PHE 22 0.124 -6.852 4.215 181 HE1 PHE 22 HE1 PHE 22 -1.602 -2.483 5.707 182 HE2 PHE 22 HE2 PHE 22 -2.159 -6.170 3.655 183 HZ PHE 22 HZ PHE 22 -3.025 -3.989 4.390 184 H ARG 23 H ARG 23 3.984 -3.494 7.023 185 HA ARG 23 HA ARG 23 6.379 -5.135 7.309 186 HB2 ARG 23 2HB ARG 23 6.941 -3.171 5.750 187 HB3 ARG 23 1HB ARG 23 6.616 -2.092 7.103 188 HG2 ARG 23 2HG ARG 23 9.010 -2.455 6.912 189 HG3 ARG 23 1HG ARG 23 8.434 -3.206 8.400 190 HD2 ARG 23 2HD ARG 23 8.449 -5.415 7.298 191 HD3 ARG 23 1HD ARG 23 8.969 -4.665 5.785 192 HE ARG 23 HE ARG 23 10.843 -3.980 7.729 193 HH11 ARG 23 1HH1 ARG 23 9.706 -6.934 6.168 194 HH12 ARG 23 2HH1 ARG 23 11.222 -7.758 6.348 195 HH21 ARG 23 1HH2 ARG 23 12.822 -5.076 7.976 196 HH22 ARG 23 2HH2 ARG 23 13.001 -6.698 7.382 197 H ARG 24 H ARG 24 6.443 -5.652 9.409 198 HA ARG 24 HA ARG 24 5.081 -3.948 11.387 199 HB2 ARG 24 2HB ARG 24 5.967 -6.860 11.601 200 HB3 ARG 24 1HB ARG 24 5.147 -5.959 12.878 201 HG2 ARG 24 2HG ARG 24 3.216 -5.617 11.262 202 HG3 ARG 24 1HG ARG 24 4.034 -6.724 10.158 203 HD2 ARG 24 2HD ARG 24 3.880 -8.517 11.883 204 HD3 ARG 24 1HD ARG 24 3.033 -7.395 12.955 205 HE ARG 24 HE ARG 24 1.998 -8.382 10.359 206 HH11 ARG 24 1HH1 ARG 24 1.376 -7.207 13.619 207 HH12 ARG 24 2HH1 ARG 24 -0.342 -7.428 13.496 208 HH21 ARG 24 1HH2 ARG 24 -0.236 -8.657 10.189 209 HH22 ARG 24 2HH2 ARG 24 -1.262 -8.253 11.534 210 H THR 25 H THR 25 6.415 -2.458 12.109 211 HA THR 25 HA THR 25 8.852 -3.298 13.526 212 HB THR 25 HB THR 25 9.625 -2.397 11.361 213 HG1 THR 25 HG1 THR 25 10.876 -2.065 13.258 214 HG21 THR 25 3HG2 THR 25 8.319 0.221 12.182 215 HG22 THR 25 1HG2 THR 25 7.811 -0.809 10.836 216 HG23 THR 25 2HG2 THR 25 9.382 -0.008 10.793 217 H GLN 26 H GLN 26 9.242 -2.191 15.423 218 HA GLN 26 HA GLN 26 8.733 -1.201 17.390 219 HB2 GLN 26 2HB GLN 26 7.177 0.766 15.658 220 HB3 GLN 26 1HB GLN 26 7.475 0.995 17.377 221 HG2 GLN 26 2HG GLN 26 9.906 1.123 16.936 222 HG3 GLN 26 1HG GLN 26 9.608 0.898 15.208 223 HE21 GLN 26 1HE2 GLN 26 10.540 2.911 14.714 224 HE22 GLN 26 2HE2 GLN 26 9.734 4.404 15.034 225 H GLY 27 H GLY 27 7.037 -3.321 16.230 226 HA2 GLY 27 2HA GLY 27 5.159 -4.530 16.763 227 HA3 GLY 27 1HA GLY 27 4.884 -3.418 18.093 228 H LYS 28 H LYS 28 5.117 -1.756 15.173 229 HA LYS 28 HA LYS 28 2.203 -1.342 15.010 230 HB2 LYS 28 2HB LYS 28 4.512 0.250 13.793 231 HB3 LYS 28 1HB LYS 28 2.812 0.716 13.764 232 HG2 LYS 28 2HG LYS 28 2.804 1.112 16.143 233 HG3 LYS 28 1HG LYS 28 4.417 0.404 16.321 234 HD2 LYS 28 2HD LYS 28 5.396 2.225 15.006 235 HD3 LYS 28 1HD LYS 28 3.797 2.922 14.720 236 HE2 LYS 28 2HE LYS 28 4.984 4.155 16.474 237 HE3 LYS 28 1HE LYS 28 3.560 3.355 17.141 238 HZ1 LYS 28 3HZ LYS 28 6.370 2.419 17.370 239 HZ2 LYS 28 1HZ LYS 28 5.025 1.583 17.963 240 HZ3 LYS 28 2HZ LYS 28 5.435 3.092 18.605 241 H ILE 29 H ILE 29 1.528 -0.826 12.626 242 HA ILE 29 HA ILE 29 2.832 -2.696 10.729 243 HB ILE 29 HB ILE 29 0.601 -3.523 11.527 244 HG12 ILE 29 2HG1 ILE 29 -0.436 -3.937 9.264 245 HG13 ILE 29 1HG1 ILE 29 0.693 -2.775 8.569 246 HG21 ILE 29 1HG2 ILE 29 -0.503 -1.386 11.942 247 HG22 ILE 29 2HG2 ILE 29 -1.474 -2.405 10.878 248 HG23 ILE 29 3HG2 ILE 29 -0.550 -1.060 10.208 249 HD11 ILE 29 3HD1 ILE 29 2.554 -4.194 9.113 250 HD12 ILE 29 1HD1 ILE 29 1.331 -5.139 8.269 251 HD13 ILE 29 2HD1 ILE 29 1.507 -5.297 10.012 252 H PHE 30 H PHE 30 3.373 -1.852 8.810 253 HA PHE 30 HA PHE 30 2.558 0.895 8.039 254 HB2 PHE 30 2HB PHE 30 5.339 -0.382 7.868 255 HB3 PHE 30 1HB PHE 30 4.904 1.105 7.034 256 HD1 PHE 30 HD2 PHE 30 5.068 -0.379 10.488 257 HD2 PHE 30 HD1 PHE 30 5.214 3.190 8.122 258 HE1 PHE 30 HE2 PHE 30 5.681 0.922 12.482 259 HE2 PHE 30 HE1 PHE 30 5.827 4.479 10.130 260 HZ PHE 30 HZ PHE 30 6.062 3.350 12.308 261 H LEU 31 H LEU 31 2.202 1.162 5.800 262 HA LEU 31 HA LEU 31 2.416 -1.282 4.131 263 HB2 LEU 31 2HB LEU 31 0.098 -0.340 4.382 264 HB3 LEU 31 1HB LEU 31 0.650 1.158 3.646 265 HG LEU 31 HG LEU 31 1.176 -0.090 1.529 266 HD11 LEU 31 1HD1 LEU 31 1.644 -2.285 2.472 267 HD12 LEU 31 2HD1 LEU 31 0.391 -2.399 1.239 268 HD13 LEU 31 3HD1 LEU 31 -0.048 -2.472 2.948 269 HD21 LEU 31 3HD2 LEU 31 -1.007 1.011 1.753 270 HD22 LEU 31 1HD2 LEU 31 -1.687 -0.455 2.467 271 HD23 LEU 31 2HD2 LEU 31 -1.133 -0.460 0.789 272 H GLN 32 H GLN 32 4.466 -1.117 3.347 273 HA GLN 32 HA GLN 32 5.540 1.400 2.354 274 HB2 GLN 32 2HB GLN 32 6.753 -1.399 2.455 275 HB3 GLN 32 1HB GLN 32 7.603 0.046 1.903 276 HG2 GLN 32 2HG GLN 32 7.186 1.048 4.194 277 HG3 GLN 32 1HG GLN 32 6.582 -0.527 4.702 278 HE21 GLN 32 1HE2 GLN 32 8.944 1.100 5.563 279 HE22 GLN 32 2HE2 GLN 32 10.294 0.026 5.421 280 H VAL 33 H VAL 33 4.711 2.016 0.483 281 HA VAL 33 HA VAL 33 4.030 0.323 -1.719 282 HB VAL 33 HB VAL 33 4.594 3.329 -1.838 283 HG11 VAL 33 1HG1 VAL 33 4.454 2.251 -4.042 284 HG12 VAL 33 2HG1 VAL 33 3.065 3.306 -3.779 285 HG13 VAL 33 3HG1 VAL 33 2.884 1.558 -3.623 286 HG21 VAL 33 3HG2 VAL 33 1.945 1.982 -1.194 287 HG22 VAL 33 1HG2 VAL 33 2.182 3.711 -1.472 288 HG23 VAL 33 2HG2 VAL 33 2.927 2.930 -0.075 289 H MET 34 H MET 34 5.666 -0.852 -2.520 290 HA MET 34 HA MET 34 8.407 -0.230 -2.640 291 HB2 MET 34 2HB MET 34 6.803 -2.209 -4.322 292 HB3 MET 34 1HB MET 34 8.556 -2.202 -4.175 293 HG2 MET 34 2HG MET 34 6.726 -2.603 -1.802 294 HG3 MET 34 1HG MET 34 7.289 -3.931 -2.808 295 HE1 MET 34 3HE MET 34 7.945 -1.981 0.356 296 HE2 MET 34 1HE MET 34 8.725 -0.813 -0.712 297 HE3 MET 34 2HE MET 34 9.694 -1.750 0.425 298 H TRP 35 H TRP 35 9.718 -0.018 -4.541 299 HA TRP 35 HA TRP 35 8.877 1.984 -6.444 300 HB2 TRP 35 2HB TRP 35 11.305 1.597 -7.300 301 HB3 TRP 35 1HB TRP 35 11.092 2.265 -5.691 302 HD1 TRP 35 HD1 TRP 35 12.370 -0.965 -7.436 303 HE1 TRP 35 HE1 TRP 35 13.728 -2.306 -5.721 304 HE3 TRP 35 HE3 TRP 35 11.254 1.693 -3.182 305 HZ2 TRP 35 HZ2 TRP 35 14.245 -2.287 -2.967 306 HZ3 TRP 35 HZ3 TRP 35 12.208 0.935 -1.040 307 HH2 TRP 35 HH2 TRP 35 13.674 -1.022 -0.935 308 H LYS 36 H LYS 36 8.019 -1.048 -6.453 309 HA LYS 36 HA LYS 36 8.862 -1.871 -9.131 310 HB2 LYS 36 2HB LYS 36 7.575 -3.421 -6.837 311 HB3 LYS 36 1HB LYS 36 8.125 -4.123 -8.363 312 HG2 LYS 36 2HG LYS 36 10.435 -3.464 -7.852 313 HG3 LYS 36 1HG LYS 36 9.897 -2.703 -6.350 314 HD2 LYS 36 2HD LYS 36 9.216 -4.890 -5.456 315 HD3 LYS 36 1HD LYS 36 9.663 -5.675 -6.978 316 HE2 LYS 36 2HE LYS 36 11.571 -4.202 -5.125 317 HE3 LYS 36 1HE LYS 36 11.427 -5.948 -5.273 318 HZ1 LYS 36 3HZ LYS 36 13.257 -5.255 -6.588 319 HZ2 LYS 36 1HZ LYS 36 12.346 -4.062 -7.362 320 HZ3 LYS 36 2HZ LYS 36 12.027 -5.691 -7.653 321 H TYR 37 H TYR 37 7.487 -0.852 -10.495 322 HA TYR 37 HA TYR 37 4.573 -1.074 -10.159 323 HB2 TYR 37 2HB TYR 37 4.624 0.168 -12.479 324 HB3 TYR 37 1HB TYR 37 5.052 1.058 -11.026 325 HD1 TYR 37 HD1 TYR 37 7.371 1.774 -10.618 326 HD2 TYR 37 HD2 TYR 37 6.367 -0.352 -14.185 327 HE1 TYR 37 HE1 TYR 37 9.525 2.406 -11.593 328 HE2 TYR 37 HE2 TYR 37 8.531 0.285 -15.163 329 HH TYR 37 HH TYR 37 11.037 1.744 -13.281 330 H LEU 38 H LEU 38 3.258 -2.068 -11.824 331 HA LEU 38 HA LEU 38 4.072 -4.725 -12.291 332 HB2 LEU 38 2HB LEU 38 1.735 -4.052 -11.883 333 HB3 LEU 38 1HB LEU 38 1.690 -3.215 -13.428 334 HG LEU 38 HG LEU 38 1.943 -5.411 -14.615 335 HD11 LEU 38 1HD1 LEU 38 1.752 -6.673 -11.863 336 HD12 LEU 38 2HD1 LEU 38 3.173 -6.668 -12.912 337 HD13 LEU 38 3HD1 LEU 38 1.719 -7.529 -13.409 338 HD21 LEU 38 3HD2 LEU 38 -0.293 -4.498 -14.197 339 HD22 LEU 38 1HD2 LEU 38 -0.368 -5.366 -12.660 340 HD23 LEU 38 2HD2 LEU 38 -0.297 -6.259 -14.183 341 H GLU 39 H GLU 39 4.565 -1.932 -14.244 342 HA GLU 39 HA GLU 39 4.650 -3.125 -16.816 343 HB2 GLU 39 2HB GLU 39 6.194 -0.638 -15.975 344 HB3 GLU 39 1HB GLU 39 5.661 -1.074 -17.593 345 HG2 GLU 39 2HG GLU 39 3.945 -0.166 -15.264 346 HG3 GLU 39 1HG GLU 39 4.247 0.692 -16.772 347 H GLN 40 H GLN 40 6.842 -3.297 -14.168 348 HA GLN 40 HA GLN 40 9.289 -3.742 -15.585 349 HB2 GLN 40 2HB GLN 40 8.491 -4.603 -12.766 350 HB3 GLN 40 1HB GLN 40 10.133 -4.641 -13.413 351 HG2 GLN 40 2HG GLN 40 10.063 -2.176 -13.685 352 HG3 GLN 40 1HG GLN 40 8.442 -2.154 -12.987 353 HE21 GLN 40 1HE2 GLN 40 10.790 -0.789 -12.028 354 HE22 GLN 40 2HE2 GLN 40 11.089 -1.360 -10.426 355 H ALA 41 H ALA 41 10.109 -5.569 -16.441 356 HA ALA 41 HA ALA 41 8.593 -8.036 -16.603 357 HB1 ALA 41 3HB ALA 41 10.426 -8.787 -18.075 358 HB2 ALA 41 1HB ALA 41 11.369 -7.354 -17.650 359 HB3 ALA 41 2HB ALA 41 9.857 -7.185 -18.545 360 H SER 42 H SER 42 11.006 -6.743 -14.528 361 HA SER 42 HA SER 42 11.904 -9.299 -13.431 362 HB2 SER 42 2HB SER 42 12.472 -6.429 -12.558 363 HB3 SER 42 1HB SER 42 13.306 -7.871 -11.980 364 HG SER 42 HG SER 42 13.229 -7.349 -14.732 365 H PHE 43 H PHE 43 9.060 -7.714 -13.144 366 HA PHE 43 HA PHE 43 8.673 -7.184 -10.419 367 HB2 PHE 43 2HB PHE 43 7.281 -6.403 -12.430 368 HB3 PHE 43 1HB PHE 43 6.503 -7.981 -12.407 369 HD1 PHE 43 HD1 PHE 43 7.246 -5.060 -10.192 370 HD2 PHE 43 HD2 PHE 43 4.540 -8.234 -11.108 371 HE1 PHE 43 HE1 PHE 43 5.659 -4.203 -8.544 372 HE2 PHE 43 HE2 PHE 43 2.967 -7.361 -9.450 373 HZ PHE 43 HZ PHE 43 3.519 -5.339 -8.166 374 HA PRO 44 HA PRO 44 8.807 -11.338 -8.779 375 HB2 PRO 44 2HB PRO 44 7.208 -10.313 -6.448 376 HB3 PRO 44 1HB PRO 44 8.831 -11.036 -6.478 377 HG2 PRO 44 2HG PRO 44 8.559 -8.426 -6.065 378 HG3 PRO 44 1HG PRO 44 9.873 -9.043 -7.095 379 HD2 PRO 44 2HD PRO 44 7.234 -7.829 -7.946 380 HD3 PRO 44 1HD PRO 44 8.875 -7.501 -8.559 381 H MET 45 H MET 45 5.661 -9.738 -8.798 382 HA MET 45 HA MET 45 4.227 -12.317 -8.876 383 HB2 MET 45 2HB MET 45 3.211 -9.467 -8.501 384 HB3 MET 45 1HB MET 45 2.152 -10.863 -8.669 385 HG2 MET 45 2HG MET 45 2.347 -10.269 -6.334 386 HG3 MET 45 1HG MET 45 3.123 -11.827 -6.604 387 HE1 MET 45 3HE MET 45 4.568 -8.230 -7.437 388 HE2 MET 45 1HE MET 45 5.417 -7.879 -5.935 389 HE3 MET 45 2HE MET 45 3.660 -8.010 -5.939 390 H ASN 46 H ASN 46 2.594 -12.628 -10.519 391 HA ASN 46 HA ASN 46 3.227 -11.603 -13.160 392 HB2 ASN 46 2HB ASN 46 0.991 -13.431 -12.172 393 HB3 ASN 46 1HB ASN 46 1.284 -13.049 -13.866 394 HD21 ASN 46 1HD2 ASN 46 1.308 -15.618 -12.554 395 HD22 ASN 46 2HD2 ASN 46 2.867 -16.304 -12.855 396 H GLU 47 H GLU 47 0.896 -11.112 -14.444 397 HA GLU 47 HA GLU 47 0.158 -8.496 -13.666 398 HB2 GLU 47 2HB GLU 47 -1.275 -10.383 -15.584 399 HB3 GLU 47 1HB GLU 47 -1.576 -8.650 -15.455 400 HG2 GLU 47 2HG GLU 47 0.727 -8.186 -16.210 401 HG3 GLU 47 1HG GLU 47 1.048 -9.920 -16.308 402 H THR 48 H THR 48 -1.846 -11.493 -13.656 403 HA THR 48 HA THR 48 -4.007 -10.383 -12.191 404 HB THR 48 HB THR 48 -3.225 -13.314 -12.516 405 HG1 THR 48 HG1 THR 48 -5.171 -11.856 -13.980 406 HG21 THR 48 3HG2 THR 48 -5.916 -12.134 -11.734 407 HG22 THR 48 1HG2 THR 48 -4.853 -13.076 -10.674 408 HG23 THR 48 2HG2 THR 48 -5.609 -13.834 -12.074 409 H GLU 49 H GLU 49 -1.209 -12.417 -11.190 410 HA GLU 49 HA GLU 49 -1.797 -12.778 -8.500 411 HB2 GLU 49 2HB GLU 49 0.889 -12.535 -9.902 412 HB3 GLU 49 1HB GLU 49 0.757 -12.945 -8.192 413 HG2 GLU 49 2HG GLU 49 -0.398 -14.525 -10.498 414 HG3 GLU 49 1HG GLU 49 1.044 -14.944 -9.578 415 H TYR 50 H TYR 50 -0.275 -9.964 -10.032 416 HA TYR 50 HA TYR 50 0.406 -8.508 -7.736 417 HB2 TYR 50 2HB TYR 50 1.263 -7.705 -9.814 418 HB3 TYR 50 1HB TYR 50 -0.331 -7.659 -10.559 419 HD1 TYR 50 HD1 TYR 50 1.442 -6.142 -7.591 420 HD2 TYR 50 HD2 TYR 50 -1.269 -5.542 -10.841 421 HE1 TYR 50 HE1 TYR 50 1.162 -3.795 -6.927 422 HE2 TYR 50 HE2 TYR 50 -1.539 -3.205 -10.178 423 HH TYR 50 HH TYR 50 0.398 -1.690 -7.795 424 H GLN 51 H GLN 51 -2.643 -8.573 -9.595 425 HA GLN 51 HA GLN 51 -4.003 -6.644 -7.990 426 HB2 GLN 51 2HB GLN 51 -4.587 -7.181 -10.376 427 HB3 GLN 51 1HB GLN 51 -5.204 -8.743 -9.849 428 HG2 GLN 51 2HG GLN 51 -7.050 -7.192 -10.200 429 HG3 GLN 51 1HG GLN 51 -6.930 -7.591 -8.486 430 HE21 GLN 51 1HE2 GLN 51 -8.006 -5.716 -7.820 431 HE22 GLN 51 2HE2 GLN 51 -7.303 -4.141 -7.940 432 H GLU 52 H GLU 52 -3.689 -10.162 -7.826 433 HA GLU 52 HA GLU 52 -5.666 -10.623 -5.816 434 HB2 GLU 52 2HB GLU 52 -3.157 -12.287 -6.283 435 HB3 GLU 52 1HB GLU 52 -4.667 -12.817 -5.549 436 HG2 GLU 52 2HG GLU 52 -4.178 -12.136 -8.453 437 HG3 GLU 52 1HG GLU 52 -4.449 -13.730 -7.774 438 H HIS 53 H HIS 53 -2.265 -9.748 -5.805 439 HA HIS 53 HA HIS 53 -1.703 -10.000 -3.041 440 HB2 HIS 53 2HB HIS 53 0.102 -9.882 -4.719 441 HB3 HIS 53 1HB HIS 53 -0.403 -8.268 -5.196 442 HD1 HIS 53 HD1 HIS 53 1.504 -10.117 -2.568 443 HD2 HIS 53 HD2 HIS 53 0.470 -6.201 -3.480 444 HE1 HIS 53 HE1 HIS 53 2.914 -8.678 -1.074 445 HE2 HIS 53 HE2 HIS 53 2.486 -6.343 -1.891 446 H LEU 54 H LEU 54 -2.830 -7.291 -5.072 447 HA LEU 54 HA LEU 54 -2.988 -5.284 -3.081 448 HB2 LEU 54 2HB LEU 54 -4.668 -5.627 -5.594 449 HB3 LEU 54 1HB LEU 54 -4.599 -4.160 -4.625 450 HG LEU 54 HG LEU 54 -2.291 -5.347 -6.211 451 HD11 LEU 54 1HD1 LEU 54 -2.592 -3.367 -7.642 452 HD12 LEU 54 2HD1 LEU 54 -4.020 -2.918 -6.713 453 HD13 LEU 54 3HD1 LEU 54 -4.006 -4.417 -7.645 454 HD21 LEU 54 3HD2 LEU 54 -1.084 -3.271 -5.668 455 HD22 LEU 54 1HD2 LEU 54 -1.452 -4.198 -4.214 456 HD23 LEU 54 2HD2 LEU 54 -2.406 -2.764 -4.612 457 H ASP 55 H ASP 55 -5.291 -7.695 -4.226 458 HA ASP 55 HA ASP 55 -7.600 -6.955 -2.799 459 HB2 ASP 55 2HB ASP 55 -7.648 -8.495 -4.711 460 HB3 ASP 55 1HB ASP 55 -6.637 -9.655 -3.864 461 H SER 56 H SER 56 -4.909 -9.105 -2.004 462 HA SER 56 HA SER 56 -5.846 -10.025 0.515 463 HB2 SER 56 2HB SER 56 -4.135 -11.196 -0.874 464 HB3 SER 56 1HB SER 56 -2.998 -9.886 -0.569 465 HG SER 56 HG SER 56 -3.294 -12.028 0.844 466 H VAL 57 H VAL 57 -3.733 -7.333 -0.454 467 HA VAL 57 HA VAL 57 -2.970 -6.456 2.133 468 HB VAL 57 HB VAL 57 -2.946 -5.099 -0.597 469 HG11 VAL 57 1HG1 VAL 57 -1.875 -3.913 1.991 470 HG12 VAL 57 2HG1 VAL 57 -3.228 -3.291 1.045 471 HG13 VAL 57 3HG1 VAL 57 -1.598 -3.262 0.373 472 HG21 VAL 57 3HG2 VAL 57 -0.483 -5.365 -0.389 473 HG22 VAL 57 1HG2 VAL 57 -1.316 -6.917 -0.264 474 HG23 VAL 57 2HG2 VAL 57 -0.705 -6.127 1.190 475 H ALA 58 H ALA 58 -5.537 -5.469 -0.080 476 HA ALA 58 HA ALA 58 -6.541 -3.267 1.365 477 HB1 ALA 58 3HB ALA 58 -6.938 -3.604 -1.034 478 HB2 ALA 58 1HB ALA 58 -8.457 -3.403 -0.158 479 HB3 ALA 58 2HB ALA 58 -7.944 -5.012 -0.681 480 H ASN 59 H ASN 59 -7.150 -6.712 1.578 481 HA ASN 59 HA ASN 59 -9.518 -6.737 3.112 482 HB2 ASN 59 2HB ASN 59 -8.551 -8.749 1.974 483 HB3 ASN 59 1HB ASN 59 -7.236 -8.770 3.145 484 HD21 ASN 59 1HD2 ASN 59 -7.745 -10.782 3.981 485 HD22 ASN 59 2HD2 ASN 59 -9.187 -11.111 4.873 486 H TYR 60 H TYR 60 -6.073 -6.636 4.058 487 HA TYR 60 HA TYR 60 -6.553 -6.486 6.884 488 HB2 TYR 60 2HB TYR 60 -4.113 -5.984 5.155 489 HB3 TYR 60 1HB TYR 60 -4.094 -5.506 6.849 490 HD1 TYR 60 HD1 TYR 60 -4.856 -7.364 8.552 491 HD2 TYR 60 HD2 TYR 60 -3.351 -8.181 4.629 492 HE1 TYR 60 HE1 TYR 60 -4.248 -9.622 9.266 493 HE2 TYR 60 HE2 TYR 60 -2.745 -10.454 5.348 494 HH TYR 60 HH TYR 60 -3.843 -11.825 8.273 495 H LEU 61 H LEU 61 -6.144 -4.073 4.310 496 HA LEU 61 HA LEU 61 -5.957 -1.784 5.953 497 HB2 LEU 61 2HB LEU 61 -7.076 -2.046 3.137 498 HB3 LEU 61 1HB LEU 61 -6.725 -0.517 3.926 499 HG LEU 61 HG LEU 61 -4.696 -2.641 3.125 500 HD11 LEU 61 1HD1 LEU 61 -5.096 0.174 2.074 501 HD12 LEU 61 2HD1 LEU 61 -5.518 -1.323 1.237 502 HD13 LEU 61 3HD1 LEU 61 -3.830 -0.959 1.581 503 HD21 LEU 61 3HD2 LEU 61 -2.953 -1.081 3.912 504 HD22 LEU 61 1HD2 LEU 61 -3.978 -1.643 5.230 505 HD23 LEU 61 2HD2 LEU 61 -4.199 -0.018 4.575 506 H HIS 62 H HIS 62 -8.742 -3.560 4.718 507 HA HIS 62 HA HIS 62 -10.790 -1.865 5.765 508 HB2 HIS 62 2HB HIS 62 -11.271 -3.400 3.936 509 HB3 HIS 62 1HB HIS 62 -10.799 -4.785 4.908 510 HD1 HIS 62 HD1 HIS 62 -12.547 -5.811 6.420 511 HD2 HIS 62 HD2 HIS 62 -13.841 -2.273 4.662 512 HE1 HIS 62 HE1 HIS 62 -14.993 -5.658 6.935 513 HE2 HIS 62 HE2 HIS 62 -15.778 -3.598 5.731 514 H ALA 63 H ALA 63 -9.359 -4.952 6.869 515 HA ALA 63 HA ALA 63 -11.026 -5.412 9.087 516 HB1 ALA 63 3HB ALA 63 -9.374 -7.118 9.718 517 HB2 ALA 63 1HB ALA 63 -8.190 -6.401 8.615 518 HB3 ALA 63 2HB ALA 63 -9.657 -7.146 7.977 519 H LEU 64 H LEU 64 -7.844 -3.906 8.884 520 HA LEU 64 HA LEU 64 -7.553 -3.478 11.723 521 HB2 LEU 64 2HB LEU 64 -5.889 -2.538 9.350 522 HB3 LEU 64 1HB LEU 64 -5.420 -2.361 11.029 523 HG LEU 64 HG LEU 64 -5.778 -5.032 9.601 524 HD11 LEU 64 1HD1 LEU 64 -3.331 -5.227 9.675 525 HD12 LEU 64 2HD1 LEU 64 -3.207 -3.600 10.353 526 HD13 LEU 64 3HD1 LEU 64 -3.837 -3.835 8.720 527 HD21 LEU 64 3HD2 LEU 64 -6.241 -5.229 11.987 528 HD22 LEU 64 1HD2 LEU 64 -4.711 -4.440 12.379 529 HD23 LEU 64 2HD2 LEU 64 -4.719 -6.020 11.588 530 H GLY 65 H GLY 65 -8.799 -1.669 9.016 531 HA2 GLY 65 2HA GLY 65 -9.814 0.416 8.926 532 HA3 GLY 65 1HA GLY 65 -9.325 0.731 10.586 533 H GLY 66 H GLY 66 -6.807 -0.429 8.602 534 HA2 GLY 66 2HA GLY 66 -5.353 2.062 8.698 535 HA3 GLY 66 1HA GLY 66 -4.781 0.535 8.046 536 H ALA 67 H ALA 67 -7.643 0.896 6.563 537 HA ALA 67 HA ALA 67 -6.726 1.506 4.004 538 HB1 ALA 67 3HB ALA 67 -9.111 1.738 3.415 539 HB2 ALA 67 1HB ALA 67 -9.533 1.814 5.127 540 HB3 ALA 67 2HB ALA 67 -8.837 0.337 4.453 541 H VAL 68 H VAL 68 -8.384 3.546 6.353 542 HA VAL 68 HA VAL 68 -8.592 5.901 4.805 543 HB VAL 68 HB VAL 68 -8.597 5.568 7.845 544 HG11 VAL 68 1HG1 VAL 68 -9.948 7.629 7.897 545 HG12 VAL 68 2HG1 VAL 68 -9.782 7.789 6.147 546 HG13 VAL 68 3HG1 VAL 68 -8.361 7.924 7.184 547 HG21 VAL 68 3HG2 VAL 68 -10.246 4.079 6.780 548 HG22 VAL 68 1HG2 VAL 68 -10.934 5.445 5.899 549 HG23 VAL 68 2HG2 VAL 68 -11.056 5.378 7.660 550 H GLN 69 H GLN 69 -6.139 4.661 7.042 551 HA GLN 69 HA GLN 69 -4.510 6.955 7.284 552 HB2 GLN 69 2HB GLN 69 -3.622 4.037 7.383 553 HB3 GLN 69 1HB GLN 69 -2.727 5.412 8.025 554 HG2 GLN 69 2HG GLN 69 -5.407 4.408 9.034 555 HG3 GLN 69 1HG GLN 69 -3.846 4.120 9.798 556 HE21 GLN 69 1HE2 GLN 69 -6.200 5.384 10.932 557 HE22 GLN 69 2HE2 GLN 69 -5.724 6.971 11.419 558 H VAL 70 H VAL 70 -4.549 4.312 4.906 559 HA VAL 70 HA VAL 70 -2.242 5.048 3.405 560 HB VAL 70 HB VAL 70 -4.696 3.426 2.553 561 HG11 VAL 70 1HG1 VAL 70 -3.254 2.479 0.765 562 HG12 VAL 70 2HG1 VAL 70 -1.971 3.607 1.215 563 HG13 VAL 70 3HG1 VAL 70 -3.491 4.217 0.562 564 HG21 VAL 70 3HG2 VAL 70 -3.303 1.450 3.030 565 HG22 VAL 70 1HG2 VAL 70 -3.513 2.447 4.471 566 HG23 VAL 70 2HG2 VAL 70 -1.992 2.501 3.577 567 H LYS 71 H LYS 71 -5.710 5.659 2.971 568 HA LYS 71 HA LYS 71 -5.665 7.017 0.521 569 HB2 LYS 71 2HB LYS 71 -7.621 7.252 2.848 570 HB3 LYS 71 1HB LYS 71 -7.918 7.911 1.240 571 HG2 LYS 71 2HG LYS 71 -7.932 5.693 0.261 572 HG3 LYS 71 1HG LYS 71 -7.409 4.973 1.777 573 HD2 LYS 71 2HD LYS 71 -9.704 4.495 1.734 574 HD3 LYS 71 1HD LYS 71 -9.616 5.914 2.773 575 HE2 LYS 71 2HE LYS 71 -10.423 5.881 -0.154 576 HE3 LYS 71 1HE LYS 71 -11.509 6.053 1.220 577 HZ1 LYS 71 3HZ LYS 71 -10.316 8.145 1.755 578 HZ2 LYS 71 1HZ LYS 71 -11.126 8.178 0.273 579 HZ3 LYS 71 2HZ LYS 71 -9.451 7.985 0.311 580 H THR 72 H THR 72 -5.612 8.300 3.841 581 HA THR 72 HA THR 72 -5.556 11.045 3.176 582 HB THR 72 HB THR 72 -4.613 9.708 5.758 583 HG1 THR 72 HG1 THR 72 -6.651 9.289 6.062 584 HG21 THR 72 3HG2 THR 72 -5.656 12.523 5.260 585 HG22 THR 72 1HG2 THR 72 -3.977 12.105 5.626 586 HG23 THR 72 2HG2 THR 72 -5.238 11.845 6.834 587 H PHE 73 H PHE 73 -2.983 8.689 3.944 588 HA PHE 73 HA PHE 73 -0.872 10.574 4.161 589 HB2 PHE 73 2HB PHE 73 -0.765 8.276 5.153 590 HB3 PHE 73 1HB PHE 73 -0.644 7.595 3.538 591 HD1 PHE 73 HD2 PHE 73 1.091 9.876 5.943 592 HD2 PHE 73 HD1 PHE 73 1.491 7.428 2.459 593 HE1 PHE 73 HE2 PHE 73 3.537 10.142 6.019 594 HE2 PHE 73 HE1 PHE 73 3.924 7.702 2.550 595 HZ PHE 73 HZ PHE 73 4.948 9.047 4.319 596 H ILE 74 H ILE 74 -1.706 8.286 1.515 597 HA ILE 74 HA ILE 74 0.302 9.023 -0.289 598 HB ILE 74 HB ILE 74 -2.412 7.716 -0.768 599 HG12 ILE 74 2HG1 ILE 74 0.444 6.637 -0.657 600 HG13 ILE 74 1HG1 ILE 74 -0.849 6.319 0.493 601 HG21 ILE 74 1HG2 ILE 74 -1.797 8.860 -2.862 602 HG22 ILE 74 2HG2 ILE 74 -1.677 7.111 -3.048 603 HG23 ILE 74 3HG2 ILE 74 -0.215 8.078 -2.838 604 HD11 ILE 74 3HD1 ILE 74 -2.053 5.067 -1.265 605 HD12 ILE 74 1HD1 ILE 74 -0.467 4.394 -0.893 606 HD13 ILE 74 2HD1 ILE 74 -0.696 5.341 -2.361 607 H THR 75 H THR 75 -2.951 10.382 0.164 608 HA THR 75 HA THR 75 -2.990 12.122 -2.076 609 HB THR 75 HB THR 75 -4.507 12.216 0.561 610 HG1 THR 75 HG1 THR 75 -4.777 10.429 -1.010 611 HG21 THR 75 3HG2 THR 75 -4.570 14.481 -0.404 612 HG22 THR 75 1HG2 THR 75 -6.141 13.697 -0.608 613 HG23 THR 75 2HG2 THR 75 -5.031 13.820 -1.973 614 H GLN 76 H GLN 76 -2.047 12.662 1.323 615 HA GLN 76 HA GLN 76 -1.557 15.476 1.008 616 HB2 GLN 76 2HB GLN 76 -0.926 13.545 3.278 617 HB3 GLN 76 1HB GLN 76 -0.605 15.279 3.362 618 HG2 GLN 76 2HG GLN 76 -2.984 15.776 3.115 619 HG3 GLN 76 1HG GLN 76 -3.353 14.061 2.919 620 HE21 GLN 76 1HE2 GLN 76 -4.326 15.975 4.939 621 HE22 GLN 76 2HE2 GLN 76 -3.922 15.267 6.465 622 H THR 77 H THR 77 0.532 12.603 1.019 623 HA THR 77 HA THR 77 3.013 14.009 1.208 624 HB THR 77 HB THR 77 2.802 11.576 1.845 625 HG1 THR 77 HG1 THR 77 4.870 11.272 1.346 626 HG21 THR 77 3HG2 THR 77 1.429 10.763 -0.079 627 HG22 THR 77 1HG2 THR 77 2.901 9.819 0.130 628 HG23 THR 77 2HG2 THR 77 2.804 11.031 -1.152 629 H LYS 78 H LYS 78 4.659 13.999 -0.500 630 HA LYS 78 HA LYS 78 3.649 14.030 -3.292 631 HB2 LYS 78 2HB LYS 78 5.152 16.009 -3.703 632 HB3 LYS 78 1HB LYS 78 3.799 16.346 -2.628 633 HG2 LYS 78 2HG LYS 78 5.412 16.020 -0.677 634 HG3 LYS 78 1HG LYS 78 6.721 15.996 -1.865 635 HD2 LYS 78 2HD LYS 78 6.191 18.276 -2.563 636 HD3 LYS 78 1HD LYS 78 4.745 18.296 -1.550 637 HE2 LYS 78 2HE LYS 78 6.192 18.101 0.464 638 HE3 LYS 78 1HE LYS 78 7.617 18.166 -0.579 639 HZ1 LYS 78 3HZ LYS 78 7.091 20.325 0.375 640 HZ2 LYS 78 1HZ LYS 78 5.560 20.291 -0.336 641 HZ3 LYS 78 2HZ LYS 78 6.939 20.361 -1.312 642 H GLU 79 H GLU 79 5.276 12.235 -1.372 643 HA GLU 79 HA GLU 79 7.779 11.929 -2.837 644 HB2 GLU 79 2HB GLU 79 6.639 10.510 -0.395 645 HB3 GLU 79 1HB GLU 79 8.167 10.056 -1.153 646 HG2 GLU 79 2HG GLU 79 7.517 12.753 0.082 647 HG3 GLU 79 1HG GLU 79 8.546 11.503 0.785 648 H ARG 80 H ARG 80 8.267 10.329 -4.148 649 HA ARG 80 HA ARG 80 6.125 8.561 -5.150 650 HB2 ARG 80 2HB ARG 80 8.508 9.859 -6.555 651 HB3 ARG 80 1HB ARG 80 7.547 8.573 -7.289 652 HG2 ARG 80 2HG ARG 80 5.557 9.940 -7.223 653 HG3 ARG 80 1HG ARG 80 6.401 11.211 -6.355 654 HD2 ARG 80 2HD ARG 80 7.845 11.598 -8.312 655 HD3 ARG 80 1HD ARG 80 7.050 10.271 -9.167 656 HE ARG 80 HE ARG 80 5.000 11.575 -9.149 657 HH11 ARG 80 1HH1 ARG 80 7.955 13.386 -8.523 658 HH12 ARG 80 2HH1 ARG 80 7.260 14.898 -9.011 659 HH21 ARG 80 1HH2 ARG 80 4.115 13.553 -9.752 660 HH22 ARG 80 2HH2 ARG 80 5.080 14.994 -9.707 661 HA PRO 81 HA PRO 81 8.688 5.046 -3.891 662 HB2 PRO 81 2HB PRO 81 7.475 3.638 -6.251 663 HB3 PRO 81 1HB PRO 81 7.428 3.197 -4.530 664 HG2 PRO 81 2HG PRO 81 5.254 4.144 -5.772 665 HG3 PRO 81 1HG PRO 81 5.606 4.557 -4.077 666 HD2 PRO 81 2HD PRO 81 6.009 6.250 -6.548 667 HD3 PRO 81 1HD PRO 81 5.429 6.711 -4.931 668 H ARG 82 H ARG 82 10.789 4.975 -4.363 669 HA ARG 82 HA ARG 82 11.804 5.283 -7.129 670 HB2 ARG 82 2HB ARG 82 11.831 7.442 -5.735 671 HB3 ARG 82 1HB ARG 82 12.970 6.645 -4.649 672 HG2 ARG 82 2HG ARG 82 14.547 6.374 -6.578 673 HG3 ARG 82 1HG ARG 82 13.406 7.262 -7.592 674 HD2 ARG 82 2HD ARG 82 13.643 9.239 -6.122 675 HD3 ARG 82 1HD ARG 82 14.780 8.343 -5.107 676 HE ARG 82 HE ARG 82 15.479 8.571 -7.921 677 HH11 ARG 82 1HH1 ARG 82 15.961 9.894 -4.690 678 HH12 ARG 82 2HH1 ARG 82 17.439 10.703 -5.114 679 HH21 ARG 82 1HH2 ARG 82 17.386 9.665 -8.471 680 HH22 ARG 82 2HH2 ARG 82 18.245 10.567 -7.261 681 H LEU 83 H LEU 83 14.009 4.441 -7.403 682 HA LEU 83 HA LEU 83 14.245 1.821 -6.471 683 HB2 LEU 83 2HB LEU 83 15.160 2.668 -8.622 684 HB3 LEU 83 1HB LEU 83 16.379 3.577 -7.742 685 HG LEU 83 HG LEU 83 17.327 1.386 -6.896 686 HD11 LEU 83 1HD1 LEU 83 15.336 -0.010 -7.092 687 HD12 LEU 83 2HD1 LEU 83 16.681 -0.707 -7.993 688 HD13 LEU 83 3HD1 LEU 83 15.387 0.132 -8.853 689 HD21 LEU 83 3HD2 LEU 83 17.240 1.669 -9.917 690 HD22 LEU 83 1HD2 LEU 83 18.452 0.782 -8.984 691 HD23 LEU 83 2HD2 LEU 83 18.327 2.533 -8.825 692 H GLY 84 H GLY 84 14.286 1.705 -4.227 693 HA2 GLY 84 2HA GLY 84 15.905 1.057 -2.513 694 HA3 GLY 84 1HA GLY 84 16.814 2.515 -2.872 695 H LYS 85 H LYS 85 14.022 3.865 -3.092 696 HA LYS 85 HA LYS 85 13.544 4.259 -0.187 697 HB2 LYS 85 2HB LYS 85 14.735 6.182 -1.275 698 HB3 LYS 85 1HB LYS 85 13.394 6.351 -2.406 699 HG2 LYS 85 2HG LYS 85 11.870 6.844 -0.495 700 HG3 LYS 85 1HG LYS 85 13.250 6.729 0.606 701 HD2 LYS 85 2HD LYS 85 14.337 8.629 -0.580 702 HD3 LYS 85 1HD LYS 85 12.941 8.748 -1.656 703 HE2 LYS 85 2HE LYS 85 12.874 9.145 1.356 704 HE3 LYS 85 1HE LYS 85 12.863 10.436 0.153 705 HZ1 LYS 85 3HZ LYS 85 10.647 9.878 1.021 706 HZ2 LYS 85 1HZ LYS 85 10.768 8.330 0.356 707 HZ3 LYS 85 2HZ LYS 85 10.753 9.690 -0.651 708 H ALA 86 H ALA 86 11.710 3.103 0.122 709 HA ALA 86 HA ALA 86 9.435 3.109 -1.690 710 HB1 ALA 86 3HB ALA 86 8.397 1.618 -0.019 711 HB2 ALA 86 1HB ALA 86 9.729 1.927 1.103 712 HB3 ALA 86 2HB ALA 86 10.027 1.073 -0.413 713 H VAL 87 H VAL 87 7.253 3.755 -0.955 714 HA VAL 87 HA VAL 87 7.202 6.096 0.828 715 HB VAL 87 HB VAL 87 4.959 4.891 -0.879 716 HG11 VAL 87 1HG1 VAL 87 5.007 7.547 0.606 717 HG12 VAL 87 2HG1 VAL 87 4.043 6.136 1.042 718 HG13 VAL 87 3HG1 VAL 87 3.718 6.990 -0.468 719 HG21 VAL 87 3HG2 VAL 87 6.768 5.806 -2.278 720 HG22 VAL 87 1HG2 VAL 87 6.678 7.345 -1.417 721 HG23 VAL 87 2HG2 VAL 87 5.317 6.804 -2.406 722 H SER 88 H SER 88 7.548 5.121 2.831 723 HA SER 88 HA SER 88 6.043 2.842 3.767 724 HB2 SER 88 2HB SER 88 8.403 3.272 4.480 725 HB3 SER 88 1HB SER 88 7.868 4.715 5.340 726 HG SER 88 HG SER 88 6.687 3.428 6.722 727 H ILE 89 H ILE 89 3.924 3.260 3.940 728 HA ILE 89 HA ILE 89 2.809 5.708 5.013 729 HB ILE 89 HB ILE 89 1.440 3.085 4.262 730 HG12 ILE 89 2HG1 ILE 89 1.707 5.623 2.591 731 HG13 ILE 89 1HG1 ILE 89 2.683 4.177 2.369 732 HG21 ILE 89 1HG2 ILE 89 0.207 5.833 4.714 733 HG22 ILE 89 2HG2 ILE 89 0.046 4.437 5.783 734 HG23 ILE 89 3HG2 ILE 89 -0.653 4.392 4.165 735 HD11 ILE 89 3HD1 ILE 89 0.914 4.298 0.758 736 HD12 ILE 89 1HD1 ILE 89 -0.298 4.363 2.036 737 HD13 ILE 89 2HD1 ILE 89 0.687 2.910 1.821 738 HA PRO 90 HA PRO 90 2.825 3.815 9.203 739 HB2 PRO 90 2HB PRO 90 2.146 6.070 10.609 740 HB3 PRO 90 1HB PRO 90 3.798 5.780 10.025 741 HG2 PRO 90 2HG PRO 90 1.669 7.536 8.851 742 HG3 PRO 90 1HG PRO 90 3.414 7.837 9.019 743 HD2 PRO 90 2HD PRO 90 2.254 7.006 6.667 744 HD3 PRO 90 1HD PRO 90 3.942 6.661 7.097 745 H LEU 91 H LEU 91 1.077 2.482 9.368 746 HA LEU 91 HA LEU 91 -1.647 3.502 9.111 747 HB2 LEU 91 2HB LEU 91 -0.744 0.703 9.869 748 HB3 LEU 91 1HB LEU 91 -2.368 1.194 9.404 749 HG LEU 91 HG LEU 91 0.089 1.031 7.609 750 HD11 LEU 91 1HD1 LEU 91 -2.512 -0.521 7.591 751 HD12 LEU 91 2HD1 LEU 91 -0.927 -1.121 8.087 752 HD13 LEU 91 3HD1 LEU 91 -1.207 -0.673 6.407 753 HD21 LEU 91 3HD2 LEU 91 -1.385 1.713 5.748 754 HD22 LEU 91 1HD2 LEU 91 -1.178 2.994 6.941 755 HD23 LEU 91 2HD2 LEU 91 -2.677 2.060 6.902 756 H ASP 92 H ASP 92 -1.887 4.868 10.776 757 HA ASP 92 HA ASP 92 -1.023 4.423 13.451 758 HB2 ASP 92 2HB ASP 92 -1.326 6.702 12.528 759 HB3 ASP 92 1HB ASP 92 -3.053 6.411 12.337 760 H LEU 93 H LEU 93 -1.818 2.549 14.282 761 HA LEU 93 HA LEU 93 -4.750 2.175 14.482 762 HB2 LEU 93 2HB LEU 93 -2.597 0.043 14.631 763 HB3 LEU 93 1HB LEU 93 -4.330 -0.229 14.726 764 HG LEU 93 HG LEU 93 -2.682 0.527 12.286 765 HD11 LEU 93 1HD1 LEU 93 -4.497 -1.826 12.879 766 HD12 LEU 93 2HD1 LEU 93 -2.730 -1.833 12.902 767 HD13 LEU 93 3HD1 LEU 93 -3.585 -1.556 11.389 768 HD21 LEU 93 3HD2 LEU 93 -4.748 0.612 10.952 769 HD22 LEU 93 1HD2 LEU 93 -4.730 1.891 12.165 770 HD23 LEU 93 2HD2 LEU 93 -5.722 0.453 12.417 771 H GLY 94 H GLY 94 -3.094 3.810 16.293 772 HA2 GLY 94 2HA GLY 94 -2.577 2.463 18.747 773 HA3 GLY 94 1HA GLY 94 -2.837 4.191 18.554 774 H GLU 95 H GLU 95 -5.320 4.480 17.724 775 HA GLU 95 HA GLU 95 -7.039 3.467 19.865 776 HB2 GLU 95 2HB GLU 95 -6.896 5.932 19.223 777 HB3 GLU 95 1HB GLU 95 -7.674 5.525 17.699 778 HG2 GLU 95 2HG GLU 95 -9.319 6.426 19.232 779 HG3 GLU 95 1HG GLU 95 -9.665 4.717 18.950 780 H ARG 96 H ARG 96 -6.480 3.079 16.420 781 HA ARG 96 HA ARG 96 -8.970 1.807 15.750 782 HB2 ARG 96 2HB ARG 96 -6.300 1.783 14.313 783 HB3 ARG 96 1HB ARG 96 -7.772 1.102 13.652 784 HG2 ARG 96 2HG ARG 96 -7.750 4.004 14.455 785 HG3 ARG 96 1HG ARG 96 -6.942 3.521 12.966 786 HD2 ARG 96 2HD ARG 96 -9.129 4.206 12.362 787 HD3 ARG 96 1HD ARG 96 -9.114 2.448 12.241 788 HE ARG 96 HE ARG 96 -10.136 2.760 14.682 789 HH11 ARG 96 1HH1 ARG 96 -10.944 4.440 11.692 790 HH12 ARG 96 2HH1 ARG 96 -12.587 4.733 12.154 791 HH21 ARG 96 1HH2 ARG 96 -12.297 3.159 15.275 792 HH22 ARG 96 2HH2 ARG 96 -13.358 4.003 14.188 793 H ALA 97 H ALA 97 -6.255 0.642 17.507 794 HA ALA 97 HA ALA 97 -6.488 -2.150 16.950 795 HB1 ALA 97 3HB ALA 97 -5.555 -0.784 19.500 796 HB2 ALA 97 1HB ALA 97 -4.537 -1.198 18.120 797 HB3 ALA 97 2HB ALA 97 -5.287 -2.478 19.076 798 H SER 98 H SER 98 -8.393 0.088 18.814 799 HA SER 98 HA SER 98 -9.695 -1.724 20.560 800 HB2 SER 98 2HB SER 98 -10.697 0.977 19.573 801 HB3 SER 98 1HB SER 98 -11.195 0.140 21.049 802 HG SER 98 HG SER 98 -9.307 1.881 20.854 803 H GLU 99 H GLU 99 -10.120 -1.237 17.172 804 HA GLU 99 HA GLU 99 -12.869 -1.644 16.805 805 HB2 GLU 99 2HB GLU 99 -10.678 -2.691 14.955 806 HB3 GLU 99 1HB GLU 99 -12.356 -2.385 14.522 807 HG2 GLU 99 2HG GLU 99 -10.222 -0.341 15.173 808 HG3 GLU 99 1HG GLU 99 -10.976 -0.640 13.612 809 H TRP 100 H TRP 100 -10.217 -3.997 17.024 810 HA TRP 100 HA TRP 100 -12.123 -6.252 16.976 811 HB2 TRP 100 2HB TRP 100 -10.219 -7.652 16.287 812 HB3 TRP 100 1HB TRP 100 -10.434 -6.293 15.194 813 HD1 TRP 100 HD1 TRP 100 -8.618 -4.116 15.804 814 HE1 TRP 100 HE1 TRP 100 -6.103 -4.319 16.286 815 HE3 TRP 100 HE3 TRP 100 -8.445 -9.045 17.155 816 HZ2 TRP 100 HZ2 TRP 100 -4.276 -6.305 17.113 817 HZ3 TRP 100 HZ3 TRP 100 -6.275 -10.026 17.772 818 HH2 TRP 100 HH2 TRP 100 -4.231 -8.684 17.753 819 H ILE 101 H ILE 101 -10.334 -4.464 19.212 820 HA ILE 101 HA ILE 101 -10.305 -6.646 21.197 821 HB ILE 101 HB ILE 101 -9.175 -3.816 21.223 822 HG12 ILE 101 2HG1 ILE 101 -7.134 -5.021 22.162 823 HG13 ILE 101 1HG1 ILE 101 -7.995 -6.538 21.942 824 HG21 ILE 101 1HG2 ILE 101 -8.680 -3.975 23.657 825 HG22 ILE 101 2HG2 ILE 101 -9.673 -5.430 23.749 826 HG23 ILE 101 3HG2 ILE 101 -10.413 -3.883 23.331 827 HD11 ILE 101 3HD1 ILE 101 -7.161 -4.620 19.782 828 HD12 ILE 101 1HD1 ILE 101 -8.043 -6.127 19.525 829 HD13 ILE 101 2HD1 ILE 101 -6.402 -6.164 20.172 830 H ILE 102 H ILE 102 -12.280 -7.091 21.965 831 HA ILE 102 HA ILE 102 -13.913 -4.910 23.138 832 HB ILE 102 HB ILE 102 -14.992 -7.419 21.747 833 HG12 ILE 102 2HG1 ILE 102 -14.373 -5.624 20.140 834 HG13 ILE 102 1HG1 ILE 102 -16.114 -5.874 20.169 835 HG21 ILE 102 1HG2 ILE 102 -16.321 -6.961 23.754 836 HG22 ILE 102 2HG2 ILE 102 -17.263 -6.586 22.311 837 HG23 ILE 102 3HG2 ILE 102 -16.546 -5.281 23.258 838 HD11 ILE 102 3HD1 ILE 102 -16.363 -3.859 21.561 839 HD12 ILE 102 1HD1 ILE 102 -15.563 -3.527 20.026 840 HD13 ILE 102 2HD1 ILE 102 -14.613 -3.622 21.506 841 H LEU 103 H LEU 103 -13.570 -5.131 25.250 842 HA LEU 103 HA LEU 103 -13.408 -7.818 26.527 843 HB2 LEU 103 2HB LEU 103 -12.144 -5.190 27.455 844 HB3 LEU 103 1HB LEU 103 -11.973 -6.752 28.240 845 HG LEU 103 HG LEU 103 -10.862 -6.045 25.489 846 HD11 LEU 103 1HD1 LEU 103 -9.672 -4.843 27.253 847 HD12 LEU 103 2HD1 LEU 103 -8.651 -6.091 26.546 848 HD13 LEU 103 3HD1 LEU 103 -9.393 -6.353 28.128 849 HD21 LEU 103 3HD2 LEU 103 -11.403 -8.417 25.638 850 HD22 LEU 103 1HD2 LEU 103 -10.496 -8.560 27.148 851 HD23 LEU 103 2HD2 LEU 103 -9.656 -8.187 25.638 852 H GLU 104 H GLU 104 -14.392 -7.958 28.667 853 HA GLU 104 HA GLU 104 -16.259 -5.773 29.403 854 HB2 GLU 104 2HB GLU 104 -17.866 -7.620 30.201 855 HB3 GLU 104 1HB GLU 104 -17.778 -7.325 28.471 856 HG2 GLU 104 2HG GLU 104 -16.487 -9.329 28.111 857 HG3 GLU 104 1HG GLU 104 -16.256 -9.564 29.843 Start of MODEL 6 1 H1 MET 1 1H MET 1 -11.457 1.085 2.322 2 H2 MET 1 2H MET 1 -10.808 -0.475 2.368 3 H3 MET 1 3H MET 1 -12.347 -0.220 1.727 4 HA MET 1 HA MET 1 -11.511 0.975 -0.103 5 HB2 MET 1 2HB MET 1 -9.637 2.131 0.985 6 HB3 MET 1 1HB MET 1 -8.793 0.610 1.238 7 HG2 MET 1 2HG MET 1 -8.487 0.363 -1.187 8 HG3 MET 1 1HG MET 1 -9.380 1.855 -1.458 9 HE1 MET 1 3HE MET 1 -5.286 1.746 0.674 10 HE2 MET 1 1HE MET 1 -6.148 0.293 0.166 11 HE3 MET 1 2HE MET 1 -6.780 1.286 1.484 12 H THR 2 H THR 2 -11.497 -0.294 -1.870 13 HA THR 2 HA THR 2 -11.018 -3.158 -1.623 14 HB THR 2 HB THR 2 -11.971 -3.247 -3.930 15 HG1 THR 2 HG1 THR 2 -12.929 -0.847 -4.322 16 HG21 THR 2 3HG2 THR 2 -14.245 -2.455 -3.407 17 HG22 THR 2 1HG2 THR 2 -13.624 -1.521 -2.043 18 HG23 THR 2 2HG2 THR 2 -13.540 -3.286 -2.021 19 H GLY 3 H GLY 3 -9.808 -4.286 -3.455 20 HA2 GLY 3 2HA GLY 3 -7.148 -3.308 -3.834 21 HA3 GLY 3 1HA GLY 3 -7.872 -4.687 -4.654 22 H GLN 4 H GLN 4 -10.102 -2.871 -5.590 23 HA GLN 4 HA GLN 4 -9.062 -1.956 -8.078 24 HB2 GLN 4 2HB GLN 4 -11.408 -2.702 -7.830 25 HB3 GLN 4 1HB GLN 4 -11.732 -1.388 -6.708 26 HG2 GLN 4 2HG GLN 4 -12.664 -0.911 -8.916 27 HG3 GLN 4 1HG GLN 4 -11.417 0.258 -8.500 28 HE21 GLN 4 1HE2 GLN 4 -10.800 -3.020 -9.734 29 HE22 GLN 4 2HE2 GLN 4 -10.155 -2.499 -11.246 30 H GLU 5 H GLU 5 -10.355 -0.221 -5.210 31 HA GLU 5 HA GLU 5 -9.793 2.413 -6.028 32 HB2 GLU 5 2HB GLU 5 -10.009 1.238 -3.228 33 HB3 GLU 5 1HB GLU 5 -9.901 2.965 -3.550 34 HG2 GLU 5 2HG GLU 5 -12.044 2.914 -4.721 35 HG3 GLU 5 1HG GLU 5 -12.143 1.165 -4.508 36 H LEU 6 H LEU 6 -7.887 0.074 -4.198 37 HA LEU 6 HA LEU 6 -5.730 1.709 -3.430 38 HB2 LEU 6 2HB LEU 6 -6.230 -0.469 -2.392 39 HB3 LEU 6 1HB LEU 6 -5.863 -1.300 -3.894 40 HG LEU 6 HG LEU 6 -3.472 -0.729 -3.672 41 HD11 LEU 6 1HD1 LEU 6 -2.549 0.380 -1.697 42 HD12 LEU 6 2HD1 LEU 6 -4.174 0.682 -1.082 43 HD13 LEU 6 3HD1 LEU 6 -3.635 1.458 -2.572 44 HD21 LEU 6 3HD2 LEU 6 -2.944 -2.089 -1.680 45 HD22 LEU 6 1HD2 LEU 6 -4.245 -2.796 -2.639 46 HD23 LEU 6 2HD2 LEU 6 -4.617 -1.944 -1.138 47 H ARG 7 H ARG 7 -6.241 -0.340 -6.313 48 HA ARG 7 HA ARG 7 -3.729 0.116 -7.574 49 HB2 ARG 7 2HB ARG 7 -5.384 -1.712 -8.151 50 HB3 ARG 7 1HB ARG 7 -6.401 -0.500 -8.917 51 HG2 ARG 7 2HG ARG 7 -4.690 -0.064 -10.596 52 HG3 ARG 7 1HG ARG 7 -3.555 -1.129 -9.766 53 HD2 ARG 7 2HD ARG 7 -5.173 -3.025 -10.172 54 HD3 ARG 7 1HD ARG 7 -6.120 -1.922 -11.174 55 HE ARG 7 HE ARG 7 -3.663 -1.765 -12.293 56 HH11 ARG 7 1HH1 ARG 7 -5.677 -4.516 -11.436 57 HH12 ARG 7 2HH1 ARG 7 -5.052 -5.526 -12.701 58 HH21 ARG 7 1HH2 ARG 7 -2.856 -3.107 -13.970 59 HH22 ARG 7 2HH2 ARG 7 -3.461 -4.730 -14.130 60 H GLN 8 H GLN 8 -6.883 1.697 -7.823 61 HA GLN 8 HA GLN 8 -6.226 3.619 -9.820 62 HB2 GLN 8 2HB GLN 8 -8.477 3.448 -7.775 63 HB3 GLN 8 1HB GLN 8 -8.375 4.747 -8.956 64 HG2 GLN 8 2HG GLN 8 -8.557 1.808 -9.679 65 HG3 GLN 8 1HG GLN 8 -9.933 2.906 -9.594 66 HE21 GLN 8 1HE2 GLN 8 -7.027 2.104 -11.359 67 HE22 GLN 8 2HE2 GLN 8 -7.407 3.008 -12.784 68 H LEU 9 H LEU 9 -5.683 3.495 -6.399 69 HA LEU 9 HA LEU 9 -5.379 6.312 -5.911 70 HB2 LEU 9 2HB LEU 9 -5.961 4.625 -4.160 71 HB3 LEU 9 1HB LEU 9 -4.385 3.884 -4.352 72 HG LEU 9 HG LEU 9 -3.316 5.972 -3.485 73 HD11 LEU 9 1HD1 LEU 9 -4.670 7.712 -2.407 74 HD12 LEU 9 2HD1 LEU 9 -6.144 6.947 -3.004 75 HD13 LEU 9 3HD1 LEU 9 -4.978 7.627 -4.142 76 HD21 LEU 9 3HD2 LEU 9 -3.965 5.671 -1.136 77 HD22 LEU 9 1HD2 LEU 9 -3.802 4.118 -1.956 78 HD23 LEU 9 2HD2 LEU 9 -5.407 4.781 -1.632 79 H LEU 10 H LEU 10 -3.216 3.585 -6.559 80 HA LEU 10 HA LEU 10 -0.740 5.021 -6.404 81 HB2 LEU 10 2HB LEU 10 -1.278 2.384 -7.826 82 HB3 LEU 10 1HB LEU 10 0.272 2.967 -7.254 83 HG LEU 10 HG LEU 10 -2.047 2.223 -5.432 84 HD11 LEU 10 1HD1 LEU 10 -1.244 0.232 -6.596 85 HD12 LEU 10 2HD1 LEU 10 -0.828 0.175 -4.886 86 HD13 LEU 10 3HD1 LEU 10 0.411 0.576 -6.082 87 HD21 LEU 10 3HD2 LEU 10 0.836 2.852 -4.762 88 HD22 LEU 10 1HD2 LEU 10 -0.391 2.291 -3.622 89 HD23 LEU 10 2HD2 LEU 10 -0.572 3.857 -4.408 90 H LEU 11 H LEU 11 -3.001 4.208 -8.982 91 HA LEU 11 HA LEU 11 -1.389 5.085 -11.195 92 HB2 LEU 11 2HB LEU 11 -4.345 4.452 -10.902 93 HB3 LEU 11 1HB LEU 11 -3.660 5.005 -12.425 94 HG LEU 11 HG LEU 11 -2.768 2.483 -10.984 95 HD11 LEU 11 1HD1 LEU 11 -5.092 2.273 -11.730 96 HD12 LEU 11 2HD1 LEU 11 -4.019 1.234 -12.663 97 HD13 LEU 11 3HD1 LEU 11 -4.621 2.738 -13.368 98 HD21 LEU 11 3HD2 LEU 11 -1.015 3.425 -12.406 99 HD22 LEU 11 1HD2 LEU 11 -2.129 3.505 -13.774 100 HD23 LEU 11 2HD2 LEU 11 -1.645 1.941 -13.111 101 H ASP 12 H ASP 12 -4.147 6.520 -9.412 102 HA ASP 12 HA ASP 12 -4.357 8.953 -10.814 103 HB2 ASP 12 2HB ASP 12 -6.068 8.245 -9.183 104 HB3 ASP 12 1HB ASP 12 -4.920 8.399 -7.859 105 H LYS 13 H LYS 13 -2.293 8.000 -8.117 106 HA LYS 13 HA LYS 13 -1.249 10.633 -7.642 107 HB2 LYS 13 2HB LYS 13 -1.534 8.971 -5.819 108 HB3 LYS 13 1HB LYS 13 -0.338 7.925 -6.579 109 HG2 LYS 13 2HG LYS 13 0.598 9.174 -4.674 110 HG3 LYS 13 1HG LYS 13 1.414 9.572 -6.188 111 HD2 LYS 13 2HD LYS 13 0.045 11.648 -6.345 112 HD3 LYS 13 1HD LYS 13 -0.703 11.251 -4.795 113 HE2 LYS 13 2HE LYS 13 1.489 11.403 -3.691 114 HE3 LYS 13 1HE LYS 13 2.254 11.762 -5.246 115 HZ1 LYS 13 3HZ LYS 13 1.784 13.747 -3.894 116 HZ2 LYS 13 1HZ LYS 13 0.130 13.422 -3.999 117 HZ3 LYS 13 2HZ LYS 13 1.012 13.788 -5.396 118 H TRP 14 H TRP 14 0.379 7.587 -8.695 119 HA TRP 14 HA TRP 14 2.673 9.220 -9.621 120 HB2 TRP 14 2HB TRP 14 2.538 6.301 -8.754 121 HB3 TRP 14 1HB TRP 14 3.998 7.123 -9.305 122 HD1 TRP 14 HD1 TRP 14 4.345 9.597 -7.745 123 HE1 TRP 14 HE1 TRP 14 4.407 9.731 -5.190 124 HE3 TRP 14 HE3 TRP 14 1.952 5.214 -6.614 125 HZ2 TRP 14 HZ2 TRP 14 3.590 8.220 -2.978 126 HZ3 TRP 14 HZ3 TRP 14 1.650 4.637 -4.242 127 HH2 TRP 14 HH2 TRP 14 2.447 6.106 -2.460 128 H GLY 15 H GLY 15 0.125 7.375 -10.885 129 HA2 GLY 15 2HA GLY 15 -0.384 6.952 -13.117 130 HA3 GLY 15 1HA GLY 15 1.237 7.443 -13.573 131 H TYR 16 H TYR 16 1.389 5.211 -11.093 132 HA TYR 16 HA TYR 16 1.520 2.834 -12.814 133 HB2 TYR 16 2HB TYR 16 3.811 3.741 -10.999 134 HB3 TYR 16 1HB TYR 16 3.743 2.202 -11.853 135 HD1 TYR 16 HD1 TYR 16 3.712 2.247 -14.406 136 HD2 TYR 16 HD2 TYR 16 4.729 5.672 -12.072 137 HE1 TYR 16 HE1 TYR 16 4.782 3.265 -16.372 138 HE2 TYR 16 HE2 TYR 16 5.806 6.694 -14.041 139 HH TYR 16 HH TYR 16 6.791 6.007 -16.173 140 H SER 17 H SER 17 0.869 1.032 -11.771 141 HA SER 17 HA SER 17 -0.039 1.193 -9.005 142 HB2 SER 17 2HB SER 17 -0.254 -1.047 -11.063 143 HB3 SER 17 1HB SER 17 -1.061 -1.008 -9.492 144 HG SER 17 HG SER 17 -2.100 0.923 -10.206 145 H TYR 18 H TYR 18 1.575 0.954 -7.535 146 HA TYR 18 HA TYR 18 3.892 -0.780 -8.026 147 HB2 TYR 18 2HB TYR 18 3.314 1.234 -5.815 148 HB3 TYR 18 1HB TYR 18 4.809 0.320 -5.963 149 HD1 TYR 18 HD2 TYR 18 2.812 3.086 -7.372 150 HD2 TYR 18 HD1 TYR 18 6.484 0.919 -7.641 151 HE1 TYR 18 HE2 TYR 18 3.771 4.854 -8.770 152 HE2 TYR 18 HE1 TYR 18 7.438 2.701 -9.034 153 HH TYR 18 HH TYR 18 6.000 5.734 -9.373 154 H ASP 19 H ASP 19 4.671 -2.212 -6.375 155 HA ASP 19 HA ASP 19 2.731 -3.844 -5.052 156 HB2 ASP 19 2HB ASP 19 4.795 -4.871 -5.803 157 HB3 ASP 19 1HB ASP 19 5.777 -3.715 -4.901 158 H VAL 20 H VAL 20 1.735 -3.314 -3.224 159 HA VAL 20 HA VAL 20 3.037 -1.586 -1.198 160 HB VAL 20 HB VAL 20 0.696 -1.453 -0.197 161 HG11 VAL 20 1HG1 VAL 20 -0.178 0.187 -1.815 162 HG12 VAL 20 2HG1 VAL 20 0.942 -0.409 -3.046 163 HG13 VAL 20 3HG1 VAL 20 1.561 0.376 -1.592 164 HG21 VAL 20 3HG2 VAL 20 -0.303 -3.473 -1.185 165 HG22 VAL 20 1HG2 VAL 20 -0.177 -2.774 -2.801 166 HG23 VAL 20 2HG2 VAL 20 -1.255 -2.049 -1.603 167 H GLN 21 H GLN 21 3.744 -2.530 0.662 168 HA GLN 21 HA GLN 21 2.837 -5.252 1.353 169 HB2 GLN 21 2HB GLN 21 5.106 -6.106 1.569 170 HB3 GLN 21 1HB GLN 21 4.858 -5.515 -0.065 171 HG2 GLN 21 2HG GLN 21 6.129 -3.457 0.508 172 HG3 GLN 21 1HG GLN 21 6.402 -4.096 2.128 173 HE21 GLN 21 1HE2 GLN 21 6.523 -5.881 -0.939 174 HE22 GLN 21 2HE2 GLN 21 8.200 -6.274 -0.844 175 H PHE 22 H PHE 22 2.758 -5.689 3.458 176 HA PHE 22 HA PHE 22 2.895 -3.571 5.385 177 HB2 PHE 22 2HB PHE 22 2.396 -6.568 5.688 178 HB3 PHE 22 1HB PHE 22 2.254 -5.404 7.004 179 HD1 PHE 22 HD1 PHE 22 0.626 -3.397 6.631 180 HD2 PHE 22 HD2 PHE 22 0.482 -7.017 4.351 181 HE1 PHE 22 HE1 PHE 22 -1.702 -2.919 6.018 182 HE2 PHE 22 HE2 PHE 22 -1.849 -6.525 3.745 183 HZ PHE 22 HZ PHE 22 -2.939 -4.479 4.577 184 H ARG 23 H ARG 23 4.425 -3.167 6.882 185 HA ARG 23 HA ARG 23 6.687 -4.984 7.296 186 HB2 ARG 23 2HB ARG 23 7.153 -3.299 5.389 187 HB3 ARG 23 1HB ARG 23 7.125 -2.040 6.604 188 HG2 ARG 23 2HG ARG 23 9.037 -4.396 6.704 189 HG3 ARG 23 1HG ARG 23 9.407 -2.880 5.911 190 HD2 ARG 23 2HD ARG 23 8.949 -3.341 8.862 191 HD3 ARG 23 1HD ARG 23 10.437 -2.823 8.062 192 HE ARG 23 HE ARG 23 8.188 -1.023 7.703 193 HH11 ARG 23 1HH1 ARG 23 10.966 -1.760 9.753 194 HH12 ARG 23 2HH1 ARG 23 11.045 -0.157 10.424 195 HH21 ARG 23 1HH2 ARG 23 8.292 1.055 8.600 196 HH22 ARG 23 2HH2 ARG 23 9.515 1.441 9.761 197 H ARG 24 H ARG 24 6.830 -5.189 9.419 198 HA ARG 24 HA ARG 24 5.709 -3.095 11.193 199 HB2 ARG 24 2HB ARG 24 6.046 -6.086 11.678 200 HB3 ARG 24 1HB ARG 24 5.442 -4.938 12.870 201 HG2 ARG 24 2HG ARG 24 3.509 -4.442 11.384 202 HG3 ARG 24 1HG ARG 24 4.115 -5.645 10.242 203 HD2 ARG 24 2HD ARG 24 3.236 -6.194 13.098 204 HD3 ARG 24 1HD ARG 24 2.320 -6.579 11.639 205 HE ARG 24 HE ARG 24 4.922 -7.774 11.631 206 HH11 ARG 24 1HH1 ARG 24 1.659 -8.226 12.938 207 HH12 ARG 24 2HH1 ARG 24 1.846 -9.947 13.103 208 HH21 ARG 24 1HH2 ARG 24 5.145 -10.011 11.843 209 HH22 ARG 24 2HH2 ARG 24 3.835 -10.961 12.477 210 H THR 25 H THR 25 6.849 -2.376 12.931 211 HA THR 25 HA THR 25 9.341 -3.671 13.741 212 HB THR 25 HB THR 25 10.188 -1.968 12.228 213 HG1 THR 25 HG1 THR 25 10.620 -0.734 14.727 214 HG21 THR 25 3HG2 THR 25 8.632 0.097 13.828 215 HG22 THR 25 1HG2 THR 25 8.297 -0.398 12.165 216 HG23 THR 25 2HG2 THR 25 9.796 0.448 12.548 217 H GLN 26 H GLN 26 9.129 -4.048 15.822 218 HA GLN 26 HA GLN 26 8.897 -3.834 18.047 219 HB2 GLN 26 2HB GLN 26 8.674 -0.830 17.574 220 HB3 GLN 26 1HB GLN 26 9.121 -1.622 19.079 221 HG2 GLN 26 2HG GLN 26 10.737 -1.591 16.515 222 HG3 GLN 26 1HG GLN 26 11.089 -0.686 17.982 223 HE21 GLN 26 1HE2 GLN 26 12.689 -2.670 16.479 224 HE22 GLN 26 2HE2 GLN 26 13.115 -3.897 17.618 225 H GLY 27 H GLY 27 6.452 -4.064 16.310 226 HA2 GLY 27 2HA GLY 27 4.292 -4.664 17.141 227 HA3 GLY 27 1HA GLY 27 4.435 -3.439 18.392 228 H LYS 28 H LYS 28 5.518 -1.871 15.765 229 HA LYS 28 HA LYS 28 2.896 -0.629 15.197 230 HB2 LYS 28 2HB LYS 28 5.742 0.334 14.628 231 HB3 LYS 28 1HB LYS 28 4.275 1.262 14.328 232 HG2 LYS 28 2HG LYS 28 3.833 1.504 16.670 233 HG3 LYS 28 1HG LYS 28 5.072 0.318 17.093 234 HD2 LYS 28 2HD LYS 28 6.841 1.809 16.375 235 HD3 LYS 28 1HD LYS 28 5.679 2.967 15.724 236 HE2 LYS 28 2HE LYS 28 6.574 3.725 17.882 237 HE3 LYS 28 1HE LYS 28 4.843 3.413 18.002 238 HZ1 LYS 28 3HZ LYS 28 6.994 1.571 18.904 239 HZ2 LYS 28 1HZ LYS 28 5.333 1.294 19.037 240 HZ3 LYS 28 2HZ LYS 28 6.051 2.550 19.903 241 H ILE 29 H ILE 29 2.214 -0.282 13.015 242 HA ILE 29 HA ILE 29 3.498 -2.043 10.995 243 HB ILE 29 HB ILE 29 1.331 -2.935 11.612 244 HG12 ILE 29 2HG1 ILE 29 0.143 -2.978 9.419 245 HG13 ILE 29 1HG1 ILE 29 1.076 -1.587 8.879 246 HG21 ILE 29 1HG2 ILE 29 0.113 -0.248 10.937 247 HG22 ILE 29 2HG2 ILE 29 0.293 -0.938 12.552 248 HG23 ILE 29 3HG2 ILE 29 -0.784 -1.704 11.381 249 HD11 ILE 29 3HD1 ILE 29 3.130 -2.948 9.007 250 HD12 ILE 29 1HD1 ILE 29 1.926 -3.627 7.911 251 HD13 ILE 29 2HD1 ILE 29 2.154 -4.331 9.508 252 H PHE 30 H PHE 30 4.074 -1.238 9.106 253 HA PHE 30 HA PHE 30 3.278 1.460 8.196 254 HB2 PHE 30 2HB PHE 30 6.097 0.263 8.149 255 HB3 PHE 30 1HB PHE 30 5.637 1.774 7.368 256 HD1 PHE 30 HD2 PHE 30 6.161 0.116 10.665 257 HD2 PHE 30 HD1 PHE 30 5.426 3.826 8.652 258 HE1 PHE 30 HE2 PHE 30 6.655 1.350 12.739 259 HE2 PHE 30 HE1 PHE 30 5.922 5.042 10.735 260 HZ PHE 30 HZ PHE 30 6.537 3.808 12.776 261 H LEU 31 H LEU 31 2.309 1.224 6.227 262 HA LEU 31 HA LEU 31 2.809 -1.166 4.591 263 HB2 LEU 31 2HB LEU 31 0.460 -0.375 4.886 264 HB3 LEU 31 1HB LEU 31 0.878 1.159 4.136 265 HG LEU 31 HG LEU 31 1.479 -0.156 2.014 266 HD11 LEU 31 1HD1 LEU 31 0.070 -2.432 3.416 267 HD12 LEU 31 2HD1 LEU 31 1.788 -2.352 3.021 268 HD13 LEU 31 3HD1 LEU 31 0.592 -2.399 1.727 269 HD21 LEU 31 3HD2 LEU 31 -0.828 -0.395 1.238 270 HD22 LEU 31 1HD2 LEU 31 -0.624 1.086 2.177 271 HD23 LEU 31 2HD2 LEU 31 -1.411 -0.316 2.903 272 H GLN 32 H GLN 32 4.714 -0.991 3.510 273 HA GLN 32 HA GLN 32 5.684 1.560 2.464 274 HB2 GLN 32 2HB GLN 32 6.909 -1.236 2.481 275 HB3 GLN 32 1HB GLN 32 7.728 0.209 1.892 276 HG2 GLN 32 2HG GLN 32 7.593 1.206 4.158 277 HG3 GLN 32 1HG GLN 32 6.799 -0.256 4.745 278 HE21 GLN 32 1HE2 GLN 32 9.322 0.930 5.623 279 HE22 GLN 32 2HE2 GLN 32 10.532 -0.281 5.383 280 H VAL 33 H VAL 33 4.935 2.209 0.541 281 HA VAL 33 HA VAL 33 4.168 0.414 -1.601 282 HB VAL 33 HB VAL 33 4.578 3.444 -1.787 283 HG11 VAL 33 1HG1 VAL 33 4.429 2.327 -3.960 284 HG12 VAL 33 2HG1 VAL 33 2.979 3.289 -3.678 285 HG13 VAL 33 3HG1 VAL 33 2.924 1.538 -3.482 286 HG21 VAL 33 3HG2 VAL 33 3.006 2.992 0.046 287 HG22 VAL 33 1HG2 VAL 33 2.026 1.981 -1.019 288 HG23 VAL 33 2HG2 VAL 33 2.165 3.713 -1.329 289 H MET 34 H MET 34 5.874 -0.698 -2.395 290 HA MET 34 HA MET 34 8.564 0.237 -2.506 291 HB2 MET 34 2HB MET 34 7.152 -2.260 -3.524 292 HB3 MET 34 1HB MET 34 8.866 -1.985 -3.844 293 HG2 MET 34 2HG MET 34 7.618 -2.077 -1.085 294 HG3 MET 34 1HG MET 34 8.521 -3.394 -1.853 295 HE1 MET 34 3HE MET 34 9.966 -3.022 0.688 296 HE2 MET 34 1HE MET 34 9.083 -1.523 0.993 297 HE3 MET 34 2HE MET 34 10.846 -1.523 0.979 298 H TRP 35 H TRP 35 9.900 0.187 -4.430 299 HA TRP 35 HA TRP 35 8.925 2.027 -6.422 300 HB2 TRP 35 2HB TRP 35 11.328 2.017 -7.193 301 HB3 TRP 35 1HB TRP 35 11.123 2.416 -5.495 302 HD1 TRP 35 HD1 TRP 35 12.726 -0.177 -7.783 303 HE1 TRP 35 HE1 TRP 35 14.200 -1.749 -6.389 304 HE3 TRP 35 HE3 TRP 35 11.309 1.280 -3.051 305 HZ2 TRP 35 HZ2 TRP 35 14.713 -2.304 -3.676 306 HZ3 TRP 35 HZ3 TRP 35 12.349 0.168 -1.123 307 HH2 TRP 35 HH2 TRP 35 14.016 -1.591 -1.434 308 H LYS 36 H LYS 36 8.745 -1.264 -6.255 309 HA LYS 36 HA LYS 36 9.134 -1.841 -9.095 310 HB2 LYS 36 2HB LYS 36 8.229 -3.633 -6.795 311 HB3 LYS 36 1HB LYS 36 8.653 -4.177 -8.419 312 HG2 LYS 36 2HG LYS 36 10.978 -3.465 -8.088 313 HG3 LYS 36 1HG LYS 36 10.576 -2.819 -6.494 314 HD2 LYS 36 2HD LYS 36 10.006 -5.111 -5.716 315 HD3 LYS 36 1HD LYS 36 10.420 -5.752 -7.310 316 HE2 LYS 36 2HE LYS 36 12.754 -4.947 -7.004 317 HE3 LYS 36 1HE LYS 36 12.330 -4.362 -5.394 318 HZ1 LYS 36 3HZ LYS 36 11.819 -6.633 -4.748 319 HZ2 LYS 36 1HZ LYS 36 13.409 -6.511 -5.307 320 HZ3 LYS 36 2HZ LYS 36 12.219 -7.190 -6.291 321 H TYR 37 H TYR 37 7.501 -1.593 -10.478 322 HA TYR 37 HA TYR 37 4.677 -1.727 -9.578 323 HB2 TYR 37 2HB TYR 37 4.189 -0.088 -11.465 324 HB3 TYR 37 1HB TYR 37 5.087 0.588 -10.120 325 HD1 TYR 37 HD1 TYR 37 7.544 1.100 -10.378 326 HD2 TYR 37 HD2 TYR 37 5.166 -0.172 -13.686 327 HE1 TYR 37 HE1 TYR 37 9.265 1.921 -11.931 328 HE2 TYR 37 HE2 TYR 37 6.887 0.644 -15.230 329 HH TYR 37 HH TYR 37 8.726 2.284 -15.246 330 H LEU 38 H LEU 38 3.161 -2.337 -11.320 331 HA LEU 38 HA LEU 38 3.908 -4.879 -12.300 332 HB2 LEU 38 2HB LEU 38 1.625 -4.321 -11.496 333 HB3 LEU 38 1HB LEU 38 1.386 -3.296 -12.904 334 HG LEU 38 HG LEU 38 1.592 -5.311 -14.385 335 HD11 LEU 38 1HD1 LEU 38 1.545 -7.568 -13.456 336 HD12 LEU 38 2HD1 LEU 38 1.688 -6.926 -11.819 337 HD13 LEU 38 3HD1 LEU 38 3.010 -6.716 -12.972 338 HD21 LEU 38 3HD2 LEU 38 -0.565 -5.606 -12.273 339 HD22 LEU 38 1HD2 LEU 38 -0.591 -6.293 -13.898 340 HD23 LEU 38 2HD2 LEU 38 -0.637 -4.546 -13.681 341 H GLU 39 H GLU 39 3.964 -1.735 -13.897 342 HA GLU 39 HA GLU 39 3.802 -2.699 -16.585 343 HB2 GLU 39 2HB GLU 39 5.203 -0.118 -15.808 344 HB3 GLU 39 1HB GLU 39 4.476 -0.523 -17.350 345 HG2 GLU 39 2HG GLU 39 3.085 0.184 -14.767 346 HG3 GLU 39 1HG GLU 39 3.050 1.060 -16.295 347 H GLN 40 H GLN 40 6.291 -2.996 -14.290 348 HA GLN 40 HA GLN 40 8.399 -3.445 -16.271 349 HB2 GLN 40 2HB GLN 40 8.304 -3.739 -13.238 350 HB3 GLN 40 1HB GLN 40 9.668 -4.335 -14.180 351 HG2 GLN 40 2HG GLN 40 8.712 -1.463 -14.041 352 HG3 GLN 40 1HG GLN 40 10.161 -2.121 -13.281 353 HE21 GLN 40 1HE2 GLN 40 9.856 0.036 -15.306 354 HE22 GLN 40 2HE2 GLN 40 10.822 -0.432 -16.655 355 H ALA 41 H ALA 41 8.938 -5.356 -17.116 356 HA ALA 41 HA ALA 41 7.413 -7.759 -16.718 357 HB1 ALA 41 3HB ALA 41 8.960 -8.748 -18.362 358 HB2 ALA 41 1HB ALA 41 10.004 -7.325 -18.264 359 HB3 ALA 41 2HB ALA 41 8.372 -7.183 -18.918 360 H SER 42 H SER 42 10.285 -6.357 -15.367 361 HA SER 42 HA SER 42 11.355 -8.753 -14.153 362 HB2 SER 42 2HB SER 42 12.893 -7.074 -13.023 363 HB3 SER 42 1HB SER 42 12.901 -6.994 -14.787 364 HG SER 42 HG SER 42 12.708 -4.918 -14.068 365 H PHE 43 H PHE 43 8.561 -7.275 -13.489 366 HA PHE 43 HA PHE 43 8.599 -6.908 -10.667 367 HB2 PHE 43 2HB PHE 43 6.932 -5.938 -12.376 368 HB3 PHE 43 1HB PHE 43 6.179 -7.527 -12.430 369 HD1 PHE 43 HD1 PHE 43 7.310 -5.039 -9.852 370 HD2 PHE 43 HD2 PHE 43 4.259 -7.767 -11.078 371 HE1 PHE 43 HE1 PHE 43 5.945 -4.390 -7.923 372 HE2 PHE 43 HE2 PHE 43 2.906 -7.106 -9.144 373 HZ PHE 43 HZ PHE 43 3.745 -5.420 -7.558 374 HA PRO 44 HA PRO 44 8.808 -11.290 -9.697 375 HB2 PRO 44 2HB PRO 44 8.511 -11.226 -6.997 376 HB3 PRO 44 1HB PRO 44 9.936 -10.523 -7.790 377 HG2 PRO 44 2HG PRO 44 7.461 -9.127 -6.816 378 HG3 PRO 44 1HG PRO 44 9.165 -8.684 -6.564 379 HD2 PRO 44 2HD PRO 44 7.637 -7.520 -8.496 380 HD3 PRO 44 1HD PRO 44 9.386 -7.770 -8.695 381 H MET 45 H MET 45 5.883 -9.591 -9.525 382 HA MET 45 HA MET 45 4.371 -12.112 -9.091 383 HB2 MET 45 2HB MET 45 3.423 -9.261 -8.540 384 HB3 MET 45 1HB MET 45 2.435 -10.707 -8.374 385 HG2 MET 45 2HG MET 45 4.030 -11.517 -6.612 386 HG3 MET 45 1HG MET 45 4.861 -9.967 -6.724 387 HE1 MET 45 3HE MET 45 2.176 -7.470 -5.388 388 HE2 MET 45 1HE MET 45 2.451 -7.886 -7.079 389 HE3 MET 45 2HE MET 45 3.822 -7.670 -5.987 390 H ASN 46 H ASN 46 2.766 -12.601 -10.578 391 HA ASN 46 HA ASN 46 2.914 -11.504 -13.230 392 HB2 ASN 46 2HB ASN 46 0.990 -13.467 -11.920 393 HB3 ASN 46 1HB ASN 46 0.873 -13.010 -13.609 394 HD21 ASN 46 1HD2 ASN 46 4.030 -13.465 -12.109 395 HD22 ASN 46 2HD2 ASN 46 4.371 -14.962 -12.891 396 H GLU 47 H GLU 47 0.722 -10.903 -14.322 397 HA GLU 47 HA GLU 47 -0.162 -8.417 -13.324 398 HB2 GLU 47 2HB GLU 47 -1.435 -10.183 -15.452 399 HB3 GLU 47 1HB GLU 47 -1.731 -8.459 -15.236 400 HG2 GLU 47 2HG GLU 47 0.516 -7.898 -15.911 401 HG3 GLU 47 1HG GLU 47 1.015 -9.588 -15.858 402 H THR 48 H THR 48 -1.701 -11.619 -13.328 403 HA THR 48 HA THR 48 -4.117 -10.840 -12.015 404 HB THR 48 HB THR 48 -2.877 -13.613 -12.302 405 HG1 THR 48 HG1 THR 48 -3.325 -13.093 -14.337 406 HG21 THR 48 3HG2 THR 48 -4.638 -13.571 -10.542 407 HG22 THR 48 1HG2 THR 48 -5.151 -14.496 -11.957 408 HG23 THR 48 2HG2 THR 48 -5.766 -12.864 -11.701 409 H GLU 49 H GLU 49 -1.093 -12.428 -10.925 410 HA GLU 49 HA GLU 49 -1.826 -12.910 -8.256 411 HB2 GLU 49 2HB GLU 49 0.998 -12.422 -9.298 412 HB3 GLU 49 1HB GLU 49 0.573 -13.224 -7.791 413 HG2 GLU 49 2HG GLU 49 0.089 -14.237 -10.593 414 HG3 GLU 49 1HG GLU 49 1.236 -14.867 -9.421 415 H TYR 50 H TYR 50 -0.549 -10.058 -9.821 416 HA TYR 50 HA TYR 50 0.103 -8.556 -7.497 417 HB2 TYR 50 2HB TYR 50 1.121 -7.888 -9.581 418 HB3 TYR 50 1HB TYR 50 -0.443 -7.720 -10.378 419 HD1 TYR 50 HD1 TYR 50 1.324 -6.376 -7.334 420 HD2 TYR 50 HD2 TYR 50 -1.206 -5.506 -10.660 421 HE1 TYR 50 HE1 TYR 50 1.193 -4.047 -6.613 422 HE2 TYR 50 HE2 TYR 50 -1.329 -3.164 -9.940 423 HH TYR 50 HH TYR 50 0.634 -1.862 -7.491 424 H GLN 51 H GLN 51 -2.826 -8.695 -9.576 425 HA GLN 51 HA GLN 51 -4.265 -6.661 -8.194 426 HB2 GLN 51 2HB GLN 51 -4.827 -7.382 -10.515 427 HB3 GLN 51 1HB GLN 51 -5.382 -8.934 -9.895 428 HG2 GLN 51 2HG GLN 51 -7.283 -7.440 -10.386 429 HG3 GLN 51 1HG GLN 51 -7.202 -7.818 -8.666 430 HE21 GLN 51 1HE2 GLN 51 -8.414 -5.948 -8.111 431 HE22 GLN 51 2HE2 GLN 51 -7.740 -4.362 -8.200 432 H GLU 52 H GLU 52 -4.050 -10.166 -7.791 433 HA GLU 52 HA GLU 52 -5.966 -10.473 -5.725 434 HB2 GLU 52 2HB GLU 52 -3.472 -12.139 -6.265 435 HB3 GLU 52 1HB GLU 52 -4.828 -12.627 -5.256 436 HG2 GLU 52 2HG GLU 52 -4.798 -12.248 -8.255 437 HG3 GLU 52 1HG GLU 52 -5.029 -13.748 -7.364 438 H HIS 53 H HIS 53 -2.529 -9.648 -5.736 439 HA HIS 53 HA HIS 53 -2.076 -9.705 -2.941 440 HB2 HIS 53 2HB HIS 53 -0.196 -9.792 -4.506 441 HB3 HIS 53 1HB HIS 53 -0.611 -8.209 -5.155 442 HD1 HIS 53 HD1 HIS 53 0.762 -9.822 -2.003 443 HD2 HIS 53 HD2 HIS 53 0.528 -6.081 -3.802 444 HE1 HIS 53 HE1 HIS 53 2.231 -8.313 -0.634 445 HE2 HIS 53 HE2 HIS 53 2.267 -6.151 -1.904 446 H LEU 54 H LEU 54 -3.118 -7.125 -5.160 447 HA LEU 54 HA LEU 54 -3.032 -4.944 -3.377 448 HB2 LEU 54 2HB LEU 54 -4.797 -5.471 -5.797 449 HB3 LEU 54 1HB LEU 54 -4.848 -3.956 -4.908 450 HG LEU 54 HG LEU 54 -2.399 -5.038 -6.349 451 HD11 LEU 54 1HD1 LEU 54 -4.313 -2.816 -7.121 452 HD12 LEU 54 2HD1 LEU 54 -4.137 -4.379 -7.924 453 HD13 LEU 54 3HD1 LEU 54 -2.811 -3.220 -7.956 454 HD21 LEU 54 3HD2 LEU 54 -1.419 -2.817 -5.907 455 HD22 LEU 54 1HD2 LEU 54 -1.778 -3.668 -4.406 456 HD23 LEU 54 2HD2 LEU 54 -2.837 -2.367 -4.956 457 H ASP 55 H ASP 55 -5.625 -7.222 -4.179 458 HA ASP 55 HA ASP 55 -7.585 -5.989 -2.485 459 HB2 ASP 55 2HB ASP 55 -8.105 -7.276 -4.597 460 HB3 ASP 55 1HB ASP 55 -7.659 -8.762 -3.767 461 H SER 56 H SER 56 -5.222 -8.574 -2.096 462 HA SER 56 HA SER 56 -6.173 -9.662 0.354 463 HB2 SER 56 2HB SER 56 -4.539 -10.895 -1.011 464 HB3 SER 56 1HB SER 56 -3.333 -9.617 -0.781 465 HG SER 56 HG SER 56 -4.466 -11.344 1.175 466 H VAL 57 H VAL 57 -3.689 -7.234 -0.387 467 HA VAL 57 HA VAL 57 -3.017 -6.480 2.247 468 HB VAL 57 HB VAL 57 -2.756 -5.004 -0.414 469 HG11 VAL 57 1HG1 VAL 57 -1.229 -3.399 0.701 470 HG12 VAL 57 2HG1 VAL 57 -1.637 -4.100 2.265 471 HG13 VAL 57 3HG1 VAL 57 -2.877 -3.274 1.320 472 HG21 VAL 57 3HG2 VAL 57 -0.687 -6.389 1.334 473 HG22 VAL 57 1HG2 VAL 57 -0.352 -5.559 -0.190 474 HG23 VAL 57 2HG2 VAL 57 -1.353 -7.013 -0.176 475 H ALA 58 H ALA 58 -5.375 -5.168 -0.076 476 HA ALA 58 HA ALA 58 -6.273 -3.012 1.554 477 HB1 ALA 58 3HB ALA 58 -8.032 -2.725 -0.118 478 HB2 ALA 58 1HB ALA 58 -7.658 -4.306 -0.821 479 HB3 ALA 58 2HB ALA 58 -6.476 -2.998 -0.895 480 H ASN 59 H ASN 59 -7.131 -6.402 1.420 481 HA ASN 59 HA ASN 59 -9.588 -6.240 2.901 482 HB2 ASN 59 2HB ASN 59 -9.039 -8.249 1.544 483 HB3 ASN 59 1HB ASN 59 -7.669 -8.597 2.594 484 HD21 ASN 59 1HD2 ASN 59 -8.440 -10.601 3.272 485 HD22 ASN 59 2HD2 ASN 59 -9.837 -10.805 4.268 486 H TYR 60 H TYR 60 -6.147 -6.637 3.752 487 HA TYR 60 HA TYR 60 -6.599 -6.836 6.585 488 HB2 TYR 60 2HB TYR 60 -4.129 -6.274 4.914 489 HB3 TYR 60 1HB TYR 60 -4.078 -6.125 6.668 490 HD1 TYR 60 HD1 TYR 60 -4.888 -8.161 8.040 491 HD2 TYR 60 HD2 TYR 60 -3.725 -8.413 3.938 492 HE1 TYR 60 HE1 TYR 60 -4.505 -10.560 8.304 493 HE2 TYR 60 HE2 TYR 60 -3.340 -10.835 4.202 494 HH TYR 60 HH TYR 60 -4.427 -12.587 6.899 495 H LEU 61 H LEU 61 -5.983 -4.160 4.361 496 HA LEU 61 HA LEU 61 -5.796 -2.089 6.310 497 HB2 LEU 61 2HB LEU 61 -6.667 -1.974 3.387 498 HB3 LEU 61 1HB LEU 61 -6.267 -0.574 4.372 499 HG LEU 61 HG LEU 61 -4.309 -2.785 3.641 500 HD11 LEU 61 1HD1 LEU 61 -3.257 -1.192 2.123 501 HD12 LEU 61 2HD1 LEU 61 -4.508 0.003 2.476 502 HD13 LEU 61 3HD1 LEU 61 -4.928 -1.505 1.659 503 HD21 LEU 61 3HD2 LEU 61 -3.819 -0.150 5.063 504 HD22 LEU 61 1HD2 LEU 61 -2.569 -1.275 4.519 505 HD23 LEU 61 2HD2 LEU 61 -3.713 -1.769 5.763 506 H HIS 62 H HIS 62 -8.465 -3.645 4.655 507 HA HIS 62 HA HIS 62 -10.641 -2.115 5.671 508 HB2 HIS 62 2HB HIS 62 -10.976 -3.531 3.748 509 HB3 HIS 62 1HB HIS 62 -10.349 -4.945 4.580 510 HD1 HIS 62 HD1 HIS 62 -12.037 -6.469 5.580 511 HD2 HIS 62 HD2 HIS 62 -13.636 -2.723 4.736 512 HE1 HIS 62 HE1 HIS 62 -14.500 -6.665 6.037 513 HE2 HIS 62 HE2 HIS 62 -15.441 -4.390 5.530 514 H ALA 63 H ALA 63 -8.953 -5.026 6.805 515 HA ALA 63 HA ALA 63 -10.787 -5.636 8.935 516 HB1 ALA 63 3HB ALA 63 -9.195 -7.448 9.441 517 HB2 ALA 63 1HB ALA 63 -8.023 -6.740 8.322 518 HB3 ALA 63 2HB ALA 63 -9.554 -7.376 7.717 519 H LEU 64 H LEU 64 -7.871 -3.761 8.671 520 HA LEU 64 HA LEU 64 -7.489 -3.637 11.605 521 HB2 LEU 64 2HB LEU 64 -5.612 -2.826 9.345 522 HB3 LEU 64 1HB LEU 64 -5.246 -2.696 11.054 523 HG LEU 64 HG LEU 64 -5.709 -5.311 9.572 524 HD11 LEU 64 1HD1 LEU 64 -3.613 -4.257 8.874 525 HD12 LEU 64 2HD1 LEU 64 -3.301 -5.708 9.820 526 HD13 LEU 64 3HD1 LEU 64 -3.097 -4.115 10.557 527 HD21 LEU 64 3HD2 LEU 64 -4.915 -6.414 11.627 528 HD22 LEU 64 1HD2 LEU 64 -6.394 -5.494 11.908 529 HD23 LEU 64 2HD2 LEU 64 -4.841 -4.848 12.443 530 H GLY 65 H GLY 65 -8.628 -1.782 8.912 531 HA2 GLY 65 2HA GLY 65 -9.778 0.264 9.041 532 HA3 GLY 65 1HA GLY 65 -9.031 0.597 10.595 533 H GLY 66 H GLY 66 -6.770 -0.464 8.314 534 HA2 GLY 66 2HA GLY 66 -5.441 2.096 8.207 535 HA3 GLY 66 1HA GLY 66 -4.875 0.585 7.520 536 H ALA 67 H ALA 67 -7.888 0.806 6.343 537 HA ALA 67 HA ALA 67 -7.133 1.139 3.692 538 HB1 ALA 67 3HB ALA 67 -9.546 1.152 3.222 539 HB2 ALA 67 1HB ALA 67 -9.882 1.456 4.930 540 HB3 ALA 67 2HB ALA 67 -9.135 -0.062 4.431 541 H VAL 68 H VAL 68 -8.970 3.425 5.707 542 HA VAL 68 HA VAL 68 -9.029 5.570 3.832 543 HB VAL 68 HB VAL 68 -9.387 5.659 6.875 544 HG11 VAL 68 1HG1 VAL 68 -9.050 7.912 5.956 545 HG12 VAL 68 2HG1 VAL 68 -10.720 7.710 6.491 546 HG13 VAL 68 3HG1 VAL 68 -10.331 7.641 4.772 547 HG21 VAL 68 3HG2 VAL 68 -11.503 5.272 4.729 548 HG22 VAL 68 1HG2 VAL 68 -11.808 5.439 6.461 549 HG23 VAL 68 2HG2 VAL 68 -10.929 4.036 5.849 550 H GLN 69 H GLN 69 -6.760 4.542 6.316 551 HA GLN 69 HA GLN 69 -5.337 6.985 6.688 552 HB2 GLN 69 2HB GLN 69 -4.270 4.169 7.159 553 HB3 GLN 69 1HB GLN 69 -3.718 5.652 7.929 554 HG2 GLN 69 2HG GLN 69 -6.486 4.469 8.302 555 HG3 GLN 69 1HG GLN 69 -5.128 4.168 9.381 556 HE21 GLN 69 1HE2 GLN 69 -6.357 4.996 11.104 557 HE22 GLN 69 2HE2 GLN 69 -6.562 6.692 11.332 558 H VAL 70 H VAL 70 -4.883 4.220 4.536 559 HA VAL 70 HA VAL 70 -2.387 4.976 3.365 560 HB VAL 70 HB VAL 70 -4.610 3.118 2.388 561 HG11 VAL 70 1HG1 VAL 70 -1.815 3.394 1.221 562 HG12 VAL 70 2HG1 VAL 70 -3.319 3.843 0.423 563 HG13 VAL 70 3HG1 VAL 70 -2.990 2.150 0.788 564 HG21 VAL 70 3HG2 VAL 70 -3.504 2.416 4.474 565 HG22 VAL 70 1HG2 VAL 70 -1.935 2.490 3.672 566 HG23 VAL 70 2HG2 VAL 70 -3.139 1.310 3.151 567 H LYS 71 H LYS 71 -5.793 5.440 2.458 568 HA LYS 71 HA LYS 71 -5.385 6.761 -0.006 569 HB2 LYS 71 2HB LYS 71 -7.741 6.843 1.917 570 HB3 LYS 71 1HB LYS 71 -7.776 7.546 0.308 571 HG2 LYS 71 2HG LYS 71 -7.306 5.273 -0.648 572 HG3 LYS 71 1HG LYS 71 -7.414 4.614 0.987 573 HD2 LYS 71 2HD LYS 71 -9.538 4.247 -0.125 574 HD3 LYS 71 1HD LYS 71 -9.769 5.468 1.128 575 HE2 LYS 71 2HE LYS 71 -9.630 7.245 -0.620 576 HE3 LYS 71 1HE LYS 71 -9.466 5.992 -1.851 577 HZ1 LYS 71 3HZ LYS 71 -11.652 5.147 -1.214 578 HZ2 LYS 71 1HZ LYS 71 -11.735 6.762 -1.715 579 HZ3 LYS 71 2HZ LYS 71 -11.816 6.380 -0.067 580 H THR 72 H THR 72 -5.767 7.982 3.296 581 HA THR 72 HA THR 72 -5.810 10.757 2.768 582 HB THR 72 HB THR 72 -4.893 9.240 5.267 583 HG1 THR 72 HG1 THR 72 -7.190 9.140 4.359 584 HG21 THR 72 3HG2 THR 72 -5.669 12.170 4.995 585 HG22 THR 72 1HG2 THR 72 -4.050 11.562 5.352 586 HG23 THR 72 2HG2 THR 72 -5.359 11.333 6.514 587 H PHE 73 H PHE 73 -3.166 8.489 3.494 588 HA PHE 73 HA PHE 73 -1.132 10.453 3.762 589 HB2 PHE 73 2HB PHE 73 -1.026 8.170 4.798 590 HB3 PHE 73 1HB PHE 73 -0.769 7.481 3.199 591 HD1 PHE 73 HD2 PHE 73 0.703 9.717 5.783 592 HD2 PHE 73 HD1 PHE 73 1.440 7.527 2.183 593 HE1 PHE 73 HE2 PHE 73 3.118 10.080 6.042 594 HE2 PHE 73 HE1 PHE 73 3.852 7.903 2.457 595 HZ PHE 73 HZ PHE 73 4.690 9.171 4.382 596 H ILE 74 H ILE 74 -1.773 8.062 1.133 597 HA ILE 74 HA ILE 74 0.362 8.805 -0.531 598 HB ILE 74 HB ILE 74 -2.222 7.314 -1.146 599 HG12 ILE 74 2HG1 ILE 74 0.673 6.419 -0.768 600 HG13 ILE 74 1HG1 ILE 74 -0.669 6.124 0.330 601 HG21 ILE 74 1HG2 ILE 74 -1.273 6.614 -3.324 602 HG22 ILE 74 2HG2 ILE 74 0.098 7.694 -3.074 603 HG23 ILE 74 3HG2 ILE 74 -1.524 8.361 -3.264 604 HD11 ILE 74 3HD1 ILE 74 -0.116 4.122 -0.860 605 HD12 ILE 74 1HD1 ILE 74 -0.302 4.932 -2.415 606 HD13 ILE 74 2HD1 ILE 74 -1.706 4.679 -1.375 607 H THR 75 H THR 75 -2.965 10.026 -0.416 608 HA THR 75 HA THR 75 -2.877 11.541 -2.831 609 HB THR 75 HB THR 75 -4.726 11.853 -0.419 610 HG1 THR 75 HG1 THR 75 -4.621 9.780 -1.700 611 HG21 THR 75 3HG2 THR 75 -5.115 12.823 -3.273 612 HG22 THR 75 1HG2 THR 75 -4.789 13.865 -1.885 613 HG23 THR 75 2HG2 THR 75 -6.298 12.948 -1.969 614 H GLN 76 H GLN 76 -2.332 12.400 0.606 615 HA GLN 76 HA GLN 76 -1.995 15.219 -0.012 616 HB2 GLN 76 2HB GLN 76 -1.700 13.747 2.638 617 HB3 GLN 76 1HB GLN 76 -1.656 15.499 2.437 618 HG2 GLN 76 2HG GLN 76 -3.995 15.425 1.547 619 HG3 GLN 76 1HG GLN 76 -4.018 13.687 1.848 620 HE21 GLN 76 1HE2 GLN 76 -5.726 13.810 3.307 621 HE22 GLN 76 2HE2 GLN 76 -5.555 14.508 4.881 622 H THR 77 H THR 77 0.172 12.515 0.730 623 HA THR 77 HA THR 77 2.541 14.103 1.105 624 HB THR 77 HB THR 77 2.253 11.691 1.980 625 HG1 THR 77 HG1 THR 77 4.507 11.272 1.652 626 HG21 THR 77 3HG2 THR 77 3.090 10.908 -0.852 627 HG22 THR 77 1HG2 THR 77 1.497 10.604 -0.152 628 HG23 THR 77 2HG2 THR 77 2.921 9.823 0.532 629 H LYS 78 H LYS 78 4.398 14.096 -0.391 630 HA LYS 78 HA LYS 78 3.614 13.987 -3.254 631 HB2 LYS 78 2HB LYS 78 5.580 15.938 -1.961 632 HB3 LYS 78 1HB LYS 78 5.173 15.853 -3.672 633 HG2 LYS 78 2HG LYS 78 2.747 16.347 -2.976 634 HG3 LYS 78 1HG LYS 78 3.408 16.744 -1.388 635 HD2 LYS 78 2HD LYS 78 3.131 18.791 -2.697 636 HD3 LYS 78 1HD LYS 78 4.849 18.485 -2.438 637 HE2 LYS 78 2HE LYS 78 5.073 17.602 -4.715 638 HE3 LYS 78 1HE LYS 78 3.338 17.772 -4.982 639 HZ1 LYS 78 3HZ LYS 78 5.225 20.017 -4.490 640 HZ2 LYS 78 1HZ LYS 78 3.567 20.160 -4.780 641 HZ3 LYS 78 2HZ LYS 78 4.587 19.579 -5.993 642 H GLU 79 H GLU 79 5.172 12.205 -1.148 643 HA GLU 79 HA GLU 79 7.794 11.792 -2.212 644 HB2 GLU 79 2HB GLU 79 6.012 9.835 -0.688 645 HB3 GLU 79 1HB GLU 79 7.745 9.654 -0.947 646 HG2 GLU 79 2HG GLU 79 8.190 11.610 0.443 647 HG3 GLU 79 1HG GLU 79 6.458 11.887 0.636 648 H ARG 80 H ARG 80 8.484 10.407 -3.820 649 HA ARG 80 HA ARG 80 6.492 8.659 -5.157 650 HB2 ARG 80 2HB ARG 80 9.104 9.813 -6.240 651 HB3 ARG 80 1HB ARG 80 8.141 8.596 -7.073 652 HG2 ARG 80 2HG ARG 80 6.244 10.166 -7.198 653 HG3 ARG 80 1HG ARG 80 7.213 11.379 -6.372 654 HD2 ARG 80 2HD ARG 80 7.208 11.781 -8.794 655 HD3 ARG 80 1HD ARG 80 8.834 11.370 -8.237 656 HE ARG 80 HE ARG 80 7.237 9.146 -9.228 657 HH11 ARG 80 1HH1 ARG 80 9.668 11.558 -10.083 658 HH12 ARG 80 2HH1 ARG 80 10.220 10.671 -11.467 659 HH21 ARG 80 1HH2 ARG 80 7.989 7.995 -11.007 660 HH22 ARG 80 2HH2 ARG 80 9.263 8.640 -11.994 661 HA PRO 81 HA PRO 81 8.862 5.038 -3.733 662 HB2 PRO 81 2HB PRO 81 8.058 3.879 -6.394 663 HB3 PRO 81 1HB PRO 81 7.801 3.228 -4.761 664 HG2 PRO 81 2HG PRO 81 5.763 4.258 -6.124 665 HG3 PRO 81 1HG PRO 81 5.914 4.546 -4.373 666 HD2 PRO 81 2HD PRO 81 6.585 6.421 -6.654 667 HD3 PRO 81 1HD PRO 81 5.779 6.751 -5.104 668 H ARG 82 H ARG 82 11.000 4.957 -3.856 669 HA ARG 82 HA ARG 82 12.462 5.717 -6.325 670 HB2 ARG 82 2HB ARG 82 12.339 7.475 -4.428 671 HB3 ARG 82 1HB ARG 82 13.300 6.367 -3.459 672 HG2 ARG 82 2HG ARG 82 14.805 7.988 -4.363 673 HG3 ARG 82 1HG ARG 82 15.089 6.492 -5.253 674 HD2 ARG 82 2HD ARG 82 13.673 7.362 -7.111 675 HD3 ARG 82 1HD ARG 82 13.453 8.869 -6.218 676 HE ARG 82 HE ARG 82 16.219 8.291 -6.579 677 HH11 ARG 82 1HH1 ARG 82 13.415 9.473 -8.366 678 HH12 ARG 82 2HH1 ARG 82 14.360 10.392 -9.497 679 HH21 ARG 82 1HH2 ARG 82 17.453 9.492 -8.072 680 HH22 ARG 82 2HH2 ARG 82 16.665 10.399 -9.323 681 H LEU 83 H LEU 83 14.577 4.684 -6.546 682 HA LEU 83 HA LEU 83 14.731 1.977 -5.846 683 HB2 LEU 83 2HB LEU 83 15.958 2.919 -7.764 684 HB3 LEU 83 1HB LEU 83 16.955 3.874 -6.681 685 HG LEU 83 HG LEU 83 17.895 1.727 -5.728 686 HD11 LEU 83 1HD1 LEU 83 16.409 0.391 -8.005 687 HD12 LEU 83 2HD1 LEU 83 16.082 0.199 -6.281 688 HD13 LEU 83 3HD1 LEU 83 17.604 -0.377 -6.955 689 HD21 LEU 83 3HD2 LEU 83 18.325 2.138 -8.702 690 HD22 LEU 83 1HD2 LEU 83 19.403 1.256 -7.616 691 HD23 LEU 83 2HD2 LEU 83 19.157 2.988 -7.398 692 H GLY 84 H GLY 84 14.769 1.316 -3.764 693 HA2 GLY 84 2HA GLY 84 16.075 0.656 -1.894 694 HA3 GLY 84 1HA GLY 84 17.019 2.134 -2.017 695 H LYS 85 H LYS 85 14.245 3.554 -2.377 696 HA LYS 85 HA LYS 85 13.457 3.575 0.484 697 HB2 LYS 85 2HB LYS 85 14.705 5.657 -0.103 698 HB3 LYS 85 1HB LYS 85 13.567 5.976 -1.409 699 HG2 LYS 85 2HG LYS 85 11.724 6.032 0.366 700 HG3 LYS 85 1HG LYS 85 13.005 6.010 1.575 701 HD2 LYS 85 2HD LYS 85 13.886 8.140 0.699 702 HD3 LYS 85 1HD LYS 85 12.652 8.145 -0.566 703 HE2 LYS 85 2HE LYS 85 12.153 8.329 2.428 704 HE3 LYS 85 1HE LYS 85 11.988 9.638 1.256 705 HZ1 LYS 85 3HZ LYS 85 10.197 8.408 0.191 706 HZ2 LYS 85 1HZ LYS 85 9.847 8.666 1.826 707 HZ3 LYS 85 2HZ LYS 85 10.364 7.145 1.301 708 H ALA 86 H ALA 86 11.523 2.559 0.525 709 HA ALA 86 HA ALA 86 9.444 2.955 -1.474 710 HB1 ALA 86 3HB ALA 86 9.706 0.785 -0.357 711 HB2 ALA 86 1HB ALA 86 8.118 1.470 -0.002 712 HB3 ALA 86 2HB ALA 86 9.402 1.530 1.212 713 H VAL 87 H VAL 87 7.281 3.770 -0.848 714 HA VAL 87 HA VAL 87 7.338 6.116 0.890 715 HB VAL 87 HB VAL 87 5.011 4.991 -0.754 716 HG11 VAL 87 1HG1 VAL 87 5.347 7.753 0.476 717 HG12 VAL 87 2HG1 VAL 87 4.253 6.493 1.049 718 HG13 VAL 87 3HG1 VAL 87 3.993 7.228 -0.533 719 HG21 VAL 87 3HG2 VAL 87 6.911 5.581 -2.215 720 HG22 VAL 87 1HG2 VAL 87 6.961 7.200 -1.513 721 HG23 VAL 87 2HG2 VAL 87 5.560 6.689 -2.460 722 H SER 88 H SER 88 7.545 5.283 2.942 723 HA SER 88 HA SER 88 6.045 3.024 3.923 724 HB2 SER 88 2HB SER 88 8.364 3.391 4.653 725 HB3 SER 88 1HB SER 88 7.937 4.954 5.340 726 HG SER 88 HG SER 88 7.169 3.994 7.043 727 H ILE 89 H ILE 89 3.936 3.341 4.258 728 HA ILE 89 HA ILE 89 2.783 5.859 5.172 729 HB ILE 89 HB ILE 89 1.441 3.185 4.542 730 HG12 ILE 89 2HG1 ILE 89 1.707 5.622 2.725 731 HG13 ILE 89 1HG1 ILE 89 2.691 4.173 2.590 732 HG21 ILE 89 1HG2 ILE 89 0.027 4.611 5.966 733 HG22 ILE 89 2HG2 ILE 89 -0.659 4.487 4.345 734 HG23 ILE 89 3HG2 ILE 89 0.203 5.948 4.828 735 HD11 ILE 89 3HD1 ILE 89 -0.282 4.353 2.194 736 HD12 ILE 89 1HD1 ILE 89 0.681 2.873 2.110 737 HD13 ILE 89 2HD1 ILE 89 0.958 4.175 0.954 738 HA PRO 90 HA PRO 90 2.948 4.022 9.417 739 HB2 PRO 90 2HB PRO 90 2.311 6.770 10.362 740 HB3 PRO 90 1HB PRO 90 3.754 5.787 10.686 741 HG2 PRO 90 2HG PRO 90 3.864 7.993 9.128 742 HG3 PRO 90 1HG PRO 90 4.900 6.576 8.834 743 HD2 PRO 90 2HD PRO 90 2.333 7.353 7.435 744 HD3 PRO 90 1HD PRO 90 3.871 6.786 6.741 745 H LEU 91 H LEU 91 1.112 2.876 9.724 746 HA LEU 91 HA LEU 91 -1.501 3.957 9.048 747 HB2 LEU 91 2HB LEU 91 -0.632 1.221 10.060 748 HB3 LEU 91 1HB LEU 91 -2.269 1.623 9.570 749 HG LEU 91 HG LEU 91 0.178 1.560 7.754 750 HD11 LEU 91 1HD1 LEU 91 -0.605 -0.677 8.373 751 HD12 LEU 91 2HD1 LEU 91 -0.898 -0.353 6.669 752 HD13 LEU 91 3HD1 LEU 91 -2.235 -0.282 7.823 753 HD21 LEU 91 3HD2 LEU 91 -1.322 3.328 7.025 754 HD22 LEU 91 1HD2 LEU 91 -2.698 2.220 7.045 755 HD23 LEU 91 2HD2 LEU 91 -1.379 1.979 5.895 756 H ASP 92 H ASP 92 -2.376 5.272 10.466 757 HA ASP 92 HA ASP 92 -2.039 5.261 13.294 758 HB2 ASP 92 2HB ASP 92 -2.649 7.292 11.949 759 HB3 ASP 92 1HB ASP 92 -4.212 6.574 11.592 760 H LEU 93 H LEU 93 -2.509 3.138 13.963 761 HA LEU 93 HA LEU 93 -5.337 2.239 13.776 762 HB2 LEU 93 2HB LEU 93 -2.834 0.492 13.748 763 HB3 LEU 93 1HB LEU 93 -4.487 -0.098 13.729 764 HG LEU 93 HG LEU 93 -3.082 1.439 11.515 765 HD11 LEU 93 1HD1 LEU 93 -3.449 -0.583 10.176 766 HD12 LEU 93 2HD1 LEU 93 -4.150 -1.391 11.580 767 HD13 LEU 93 3HD1 LEU 93 -2.456 -0.904 11.594 768 HD21 LEU 93 3HD2 LEU 93 -5.985 0.573 11.614 769 HD22 LEU 93 1HD2 LEU 93 -5.151 1.214 10.197 770 HD23 LEU 93 2HD2 LEU 93 -5.379 2.229 11.614 771 H GLY 94 H GLY 94 -3.921 3.833 15.853 772 HA2 GLY 94 2HA GLY 94 -3.572 2.281 18.218 773 HA3 GLY 94 1HA GLY 94 -3.927 4.004 18.149 774 H GLU 95 H GLU 95 -6.337 4.235 17.071 775 HA GLU 95 HA GLU 95 -8.203 3.386 19.065 776 HB2 GLU 95 2HB GLU 95 -8.434 5.519 17.832 777 HB3 GLU 95 1HB GLU 95 -8.618 4.650 16.319 778 HG2 GLU 95 2HG GLU 95 -10.771 5.471 17.009 779 HG3 GLU 95 1HG GLU 95 -10.769 3.715 17.156 780 H ARG 96 H ARG 96 -7.515 2.394 15.714 781 HA ARG 96 HA ARG 96 -9.901 0.848 15.407 782 HB2 ARG 96 2HB ARG 96 -7.426 0.931 13.649 783 HB3 ARG 96 1HB ARG 96 -8.962 0.197 13.211 784 HG2 ARG 96 2HG ARG 96 -8.323 3.129 13.546 785 HG3 ARG 96 1HG ARG 96 -8.899 2.291 12.108 786 HD2 ARG 96 2HD ARG 96 -10.480 2.938 14.616 787 HD3 ARG 96 1HD ARG 96 -10.716 3.605 13.003 788 HE ARG 96 HE ARG 96 -11.279 0.792 13.770 789 HH11 ARG 96 1HH1 ARG 96 -12.042 3.587 11.751 790 HH12 ARG 96 2HH1 ARG 96 -13.402 2.815 11.001 791 HH21 ARG 96 1HH2 ARG 96 -13.118 -0.153 12.864 792 HH22 ARG 96 2HH2 ARG 96 -14.014 0.689 11.637 793 H ALA 97 H ALA 97 -6.519 -0.051 16.138 794 HA ALA 97 HA ALA 97 -7.043 -2.892 16.156 795 HB1 ALA 97 3HB ALA 97 -4.847 -3.123 17.241 796 HB2 ALA 97 1HB ALA 97 -4.751 -1.369 17.461 797 HB3 ALA 97 2HB ALA 97 -4.746 -2.062 15.839 798 H SER 98 H SER 98 -7.114 -0.260 18.539 799 HA SER 98 HA SER 98 -7.272 -1.792 20.894 800 HB2 SER 98 2HB SER 98 -6.751 0.651 20.807 801 HB3 SER 98 1HB SER 98 -8.433 0.982 20.400 802 HG SER 98 HG SER 98 -9.006 0.075 22.439 803 H GLU 99 H GLU 99 -9.641 -1.307 18.458 804 HA GLU 99 HA GLU 99 -12.040 -1.604 19.873 805 HB2 GLU 99 2HB GLU 99 -11.400 -2.551 17.046 806 HB3 GLU 99 1HB GLU 99 -13.019 -2.366 17.719 807 HG2 GLU 99 2HG GLU 99 -12.574 0.078 18.020 808 HG3 GLU 99 1HG GLU 99 -11.014 -0.143 17.226 809 H TRP 100 H TRP 100 -9.812 -4.098 18.555 810 HA TRP 100 HA TRP 100 -11.490 -6.218 19.671 811 HB2 TRP 100 2HB TRP 100 -10.202 -7.816 18.452 812 HB3 TRP 100 1HB TRP 100 -10.475 -6.466 17.364 813 HD1 TRP 100 HD1 TRP 100 -8.304 -5.075 16.578 814 HE1 TRP 100 HE1 TRP 100 -5.796 -5.616 16.635 815 HE3 TRP 100 HE3 TRP 100 -8.386 -9.015 19.833 816 HZ2 TRP 100 HZ2 TRP 100 -4.076 -7.457 17.881 817 HZ3 TRP 100 HZ3 TRP 100 -6.263 -10.121 20.402 818 HH2 TRP 100 HH2 TRP 100 -4.150 -9.355 19.441 819 H ILE 101 H ILE 101 -8.558 -4.474 20.541 820 HA ILE 101 HA ILE 101 -7.684 -6.310 22.556 821 HB ILE 101 HB ILE 101 -7.136 -3.329 22.226 822 HG12 ILE 101 2HG1 ILE 101 -4.695 -4.218 22.175 823 HG13 ILE 101 1HG1 ILE 101 -5.391 -5.824 22.050 824 HG21 ILE 101 1HG2 ILE 101 -6.217 -5.049 24.566 825 HG22 ILE 101 2HG2 ILE 101 -7.290 -3.651 24.649 826 HG23 ILE 101 3HG2 ILE 101 -5.602 -3.437 24.195 827 HD11 ILE 101 3HD1 ILE 101 -4.702 -5.010 19.900 828 HD12 ILE 101 1HD1 ILE 101 -5.711 -3.574 20.083 829 HD13 ILE 101 2HD1 ILE 101 -6.459 -5.168 19.942 830 H ILE 102 H ILE 102 -9.130 -7.004 23.957 831 HA ILE 102 HA ILE 102 -10.801 -5.122 25.518 832 HB ILE 102 HB ILE 102 -11.238 -8.124 25.111 833 HG12 ILE 102 2HG1 ILE 102 -11.653 -6.932 22.992 834 HG13 ILE 102 1HG1 ILE 102 -13.175 -7.496 23.667 835 HG21 ILE 102 1HG2 ILE 102 -12.119 -7.333 27.264 836 HG22 ILE 102 2HG2 ILE 102 -13.437 -7.757 26.174 837 HG23 ILE 102 3HG2 ILE 102 -13.037 -6.060 26.449 838 HD11 ILE 102 3HD1 ILE 102 -13.419 -5.288 22.725 839 HD12 ILE 102 1HD1 ILE 102 -12.118 -4.670 23.739 840 HD13 ILE 102 2HD1 ILE 102 -13.632 -5.204 24.472 841 H LEU 103 H LEU 103 -9.380 -4.601 27.092 842 HA LEU 103 HA LEU 103 -8.568 -6.683 29.039 843 HB2 LEU 103 2HB LEU 103 -6.916 -4.267 28.139 844 HB3 LEU 103 1HB LEU 103 -6.502 -5.284 29.508 845 HG LEU 103 HG LEU 103 -6.613 -6.256 26.625 846 HD11 LEU 103 1HD1 LEU 103 -4.151 -6.284 26.681 847 HD12 LEU 103 2HD1 LEU 103 -4.172 -5.519 28.273 848 HD13 LEU 103 3HD1 LEU 103 -4.794 -4.653 26.866 849 HD21 LEU 103 3HD2 LEU 103 -7.038 -8.042 28.233 850 HD22 LEU 103 1HD2 LEU 103 -5.565 -7.630 29.117 851 HD23 LEU 103 2HD2 LEU 103 -5.465 -8.261 27.469 852 H GLU 104 H GLU 104 -9.551 -6.228 30.944 853 HA GLU 104 HA GLU 104 -11.147 -3.903 31.282 854 HB2 GLU 104 2HB GLU 104 -11.761 -4.902 33.497 855 HB3 GLU 104 1HB GLU 104 -11.952 -6.003 32.144 856 HG2 GLU 104 2HG GLU 104 -9.727 -7.032 32.773 857 HG3 GLU 104 1HG GLU 104 -9.768 -6.054 34.238 Start of MODEL 7 1 H1 MET 1 1H MET 1 -12.261 1.365 0.898 2 H2 MET 1 2H MET 1 -11.718 -0.095 1.559 3 H3 MET 1 3H MET 1 -12.910 -0.100 0.363 4 HA MET 1 HA MET 1 -11.404 0.749 -1.245 5 HB2 MET 1 2HB MET 1 -9.983 2.072 0.317 6 HB3 MET 1 1HB MET 1 -9.327 0.584 0.987 7 HG2 MET 1 2HG MET 1 -8.263 0.054 -1.162 8 HG3 MET 1 1HG MET 1 -8.986 1.486 -1.890 9 HE1 MET 1 3HE MET 1 -5.699 1.641 1.363 10 HE2 MET 1 1HE MET 1 -6.330 0.139 0.689 11 HE3 MET 1 2HE MET 1 -7.350 1.140 1.725 12 H THR 2 H THR 2 -11.505 -1.026 -2.470 13 HA THR 2 HA THR 2 -10.664 -3.691 -1.593 14 HB THR 2 HB THR 2 -11.450 -4.397 -3.862 15 HG1 THR 2 HG1 THR 2 -12.480 -2.681 -5.153 16 HG21 THR 2 3HG2 THR 2 -13.155 -4.219 -2.067 17 HG22 THR 2 1HG2 THR 2 -13.836 -3.836 -3.651 18 HG23 THR 2 2HG2 THR 2 -13.448 -2.538 -2.521 19 H GLY 3 H GLY 3 -9.356 -4.902 -3.491 20 HA2 GLY 3 2HA GLY 3 -6.784 -3.745 -3.858 21 HA3 GLY 3 1HA GLY 3 -7.405 -5.178 -4.661 22 H GLN 4 H GLN 4 -9.692 -3.742 -5.769 23 HA GLN 4 HA GLN 4 -8.745 -2.670 -8.201 24 HB2 GLN 4 2HB GLN 4 -10.998 -3.620 -7.982 25 HB3 GLN 4 1HB GLN 4 -11.431 -2.421 -6.770 26 HG2 GLN 4 2HG GLN 4 -11.252 -0.645 -8.488 27 HG3 GLN 4 1HG GLN 4 -10.871 -1.874 -9.695 28 HE21 GLN 4 1HE2 GLN 4 -13.367 -0.531 -7.655 29 HE22 GLN 4 2HE2 GLN 4 -14.703 -1.281 -8.452 30 H GLU 5 H GLU 5 -10.167 -1.092 -5.306 31 HA GLU 5 HA GLU 5 -9.784 1.607 -6.150 32 HB2 GLU 5 2HB GLU 5 -10.337 0.433 -3.393 33 HB3 GLU 5 1HB GLU 5 -10.380 2.159 -3.754 34 HG2 GLU 5 2HG GLU 5 -12.248 1.868 -5.253 35 HG3 GLU 5 1HG GLU 5 -12.149 0.108 -5.115 36 H LEU 6 H LEU 6 -7.755 -0.668 -4.433 37 HA LEU 6 HA LEU 6 -5.918 1.220 -3.295 38 HB2 LEU 6 2HB LEU 6 -6.192 -1.051 -2.368 39 HB3 LEU 6 1HB LEU 6 -5.611 -1.749 -3.868 40 HG LEU 6 HG LEU 6 -3.353 -0.760 -3.458 41 HD11 LEU 6 1HD1 LEU 6 -4.479 0.177 -0.800 42 HD12 LEU 6 2HD1 LEU 6 -3.978 1.206 -2.143 43 HD13 LEU 6 3HD1 LEU 6 -2.782 0.237 -1.288 44 HD21 LEU 6 3HD2 LEU 6 -2.688 -2.250 -1.630 45 HD22 LEU 6 1HD2 LEU 6 -3.813 -3.045 -2.727 46 HD23 LEU 6 2HD2 LEU 6 -4.379 -2.454 -1.161 47 H ARG 7 H ARG 7 -5.956 -0.831 -6.218 48 HA ARG 7 HA ARG 7 -3.488 -0.051 -7.335 49 HB2 ARG 7 2HB ARG 7 -4.909 -2.014 -8.047 50 HB3 ARG 7 1HB ARG 7 -6.007 -0.890 -8.834 51 HG2 ARG 7 2HG ARG 7 -4.257 -0.204 -10.397 52 HG3 ARG 7 1HG ARG 7 -3.064 -1.195 -9.548 53 HD2 ARG 7 2HD ARG 7 -4.323 -3.228 -10.147 54 HD3 ARG 7 1HD ARG 7 -5.520 -2.244 -10.995 55 HE ARG 7 HE ARG 7 -3.275 -1.522 -12.232 56 HH11 ARG 7 1HH1 ARG 7 -4.460 -4.727 -11.441 57 HH12 ARG 7 2HH1 ARG 7 -3.713 -5.469 -12.816 58 HH21 ARG 7 1HH2 ARG 7 -2.359 -2.492 -14.065 59 HH22 ARG 7 2HH2 ARG 7 -2.518 -4.201 -14.310 60 H GLN 8 H GLN 8 -6.772 1.215 -7.720 61 HA GLN 8 HA GLN 8 -6.329 3.300 -9.535 62 HB2 GLN 8 2HB GLN 8 -8.381 2.948 -7.324 63 HB3 GLN 8 1HB GLN 8 -8.421 4.329 -8.413 64 HG2 GLN 8 2HG GLN 8 -8.565 1.445 -9.357 65 HG3 GLN 8 1HG GLN 8 -9.983 2.427 -8.992 66 HE21 GLN 8 1HE2 GLN 8 -7.318 1.947 -11.216 67 HE22 GLN 8 2HE2 GLN 8 -7.934 2.963 -12.471 68 H LEU 9 H LEU 9 -6.011 3.209 -5.978 69 HA LEU 9 HA LEU 9 -5.579 5.964 -5.532 70 HB2 LEU 9 2HB LEU 9 -6.146 4.322 -3.768 71 HB3 LEU 9 1HB LEU 9 -4.572 3.573 -3.945 72 HG LEU 9 HG LEU 9 -3.474 5.612 -3.069 73 HD11 LEU 9 1HD1 LEU 9 -5.024 7.323 -3.871 74 HD12 LEU 9 2HD1 LEU 9 -4.775 7.479 -2.135 75 HD13 LEU 9 3HD1 LEU 9 -6.266 6.758 -2.747 76 HD21 LEU 9 3HD2 LEU 9 -4.138 3.856 -1.495 77 HD22 LEU 9 1HD2 LEU 9 -5.710 4.630 -1.268 78 HD23 LEU 9 2HD2 LEU 9 -4.232 5.446 -0.746 79 H LEU 10 H LEU 10 -3.416 3.430 -6.631 80 HA LEU 10 HA LEU 10 -0.942 4.894 -6.280 81 HB2 LEU 10 2HB LEU 10 -1.442 2.440 -8.007 82 HB3 LEU 10 1HB LEU 10 0.099 2.980 -7.354 83 HG LEU 10 HG LEU 10 -2.218 1.935 -5.684 84 HD11 LEU 10 1HD1 LEU 10 0.307 0.504 -6.511 85 HD12 LEU 10 2HD1 LEU 10 -1.337 0.154 -7.055 86 HD13 LEU 10 3HD1 LEU 10 -0.903 -0.098 -5.366 87 HD21 LEU 10 3HD2 LEU 10 -0.621 1.836 -3.827 88 HD22 LEU 10 1HD2 LEU 10 -0.818 3.483 -4.417 89 HD23 LEU 10 2HD2 LEU 10 0.628 2.562 -4.845 90 H LEU 11 H LEU 11 -3.279 4.314 -8.858 91 HA LEU 11 HA LEU 11 -1.691 5.350 -11.036 92 HB2 LEU 11 2HB LEU 11 -4.641 4.662 -10.823 93 HB3 LEU 11 1HB LEU 11 -3.852 5.125 -12.321 94 HG LEU 11 HG LEU 11 -3.134 2.649 -10.701 95 HD11 LEU 11 1HD1 LEU 11 -4.799 2.820 -13.226 96 HD12 LEU 11 2HD1 LEU 11 -5.398 2.438 -11.609 97 HD13 LEU 11 3HD1 LEU 11 -4.277 1.341 -12.410 98 HD21 LEU 11 3HD2 LEU 11 -2.257 3.501 -13.482 99 HD22 LEU 11 1HD2 LEU 11 -1.860 1.969 -12.692 100 HD23 LEU 11 2HD2 LEU 11 -1.252 3.483 -12.031 101 H ASP 12 H ASP 12 -4.661 6.491 -9.411 102 HA ASP 12 HA ASP 12 -4.928 9.020 -10.484 103 HB2 ASP 12 2HB ASP 12 -5.702 7.931 -7.753 104 HB3 ASP 12 1HB ASP 12 -6.075 9.592 -8.208 105 H LYS 13 H LYS 13 -2.822 7.983 -7.838 106 HA LYS 13 HA LYS 13 -2.015 10.680 -7.150 107 HB2 LYS 13 2HB LYS 13 -2.129 8.884 -5.428 108 HB3 LYS 13 1HB LYS 13 -0.853 8.013 -6.268 109 HG2 LYS 13 2HG LYS 13 0.119 9.157 -4.382 110 HG3 LYS 13 1HG LYS 13 0.692 9.922 -5.868 111 HD2 LYS 13 2HD LYS 13 -1.146 11.669 -5.546 112 HD3 LYS 13 1HD LYS 13 -1.435 10.957 -3.955 113 HE2 LYS 13 2HE LYS 13 0.967 11.432 -3.393 114 HE3 LYS 13 1HE LYS 13 1.107 12.288 -4.933 115 HZ1 LYS 13 3HZ LYS 13 -0.769 12.962 -2.738 116 HZ2 LYS 13 1HZ LYS 13 -0.618 13.799 -4.199 117 HZ3 LYS 13 2HZ LYS 13 0.660 13.788 -3.094 118 H TRP 14 H TRP 14 -0.192 7.832 -8.361 119 HA TRP 14 HA TRP 14 2.024 9.616 -9.148 120 HB2 TRP 14 2HB TRP 14 1.983 6.635 -8.565 121 HB3 TRP 14 1HB TRP 14 3.421 7.543 -9.027 122 HD1 TRP 14 HD1 TRP 14 3.733 9.847 -7.199 123 HE1 TRP 14 HE1 TRP 14 3.832 9.685 -4.639 124 HE3 TRP 14 HE3 TRP 14 1.391 5.337 -6.551 125 HZ2 TRP 14 HZ2 TRP 14 3.049 7.917 -2.615 126 HZ3 TRP 14 HZ3 TRP 14 1.118 4.492 -4.253 127 HH2 TRP 14 HH2 TRP 14 1.927 5.751 -2.323 128 H GLY 15 H GLY 15 -0.130 7.134 -10.435 129 HA2 GLY 15 2HA GLY 15 -0.759 7.016 -12.722 130 HA3 GLY 15 1HA GLY 15 0.747 7.795 -13.185 131 H TYR 16 H TYR 16 1.110 5.292 -10.884 132 HA TYR 16 HA TYR 16 1.640 3.219 -12.932 133 HB2 TYR 16 2HB TYR 16 3.562 3.942 -10.674 134 HB3 TYR 16 1HB TYR 16 3.754 2.593 -11.784 135 HD1 TYR 16 HD1 TYR 16 4.078 3.103 -14.273 136 HD2 TYR 16 HD2 TYR 16 4.419 6.105 -11.248 137 HE1 TYR 16 HE1 TYR 16 5.309 4.547 -15.835 138 HE2 TYR 16 HE2 TYR 16 5.652 7.545 -12.806 139 HH TYR 16 HH TYR 16 7.058 7.256 -14.860 140 H SER 17 H SER 17 1.182 1.180 -12.281 141 HA SER 17 HA SER 17 -0.368 0.790 -9.861 142 HB2 SER 17 2HB SER 17 -0.653 -1.544 -10.883 143 HB3 SER 17 1HB SER 17 -1.235 -0.216 -11.886 144 HG SER 17 HG SER 17 0.015 -1.702 -13.089 145 H TYR 18 H TYR 18 1.393 1.178 -8.342 146 HA TYR 18 HA TYR 18 3.813 -0.354 -8.332 147 HB2 TYR 18 2HB TYR 18 2.539 1.444 -6.246 148 HB3 TYR 18 1HB TYR 18 4.097 0.662 -5.997 149 HD1 TYR 18 HD1 TYR 18 5.975 1.166 -7.706 150 HD2 TYR 18 HD2 TYR 18 2.444 3.550 -7.367 151 HE1 TYR 18 HE1 TYR 18 7.135 3.039 -8.782 152 HE2 TYR 18 HE2 TYR 18 3.607 5.401 -8.446 153 HH TYR 18 HH TYR 18 6.575 5.072 -10.047 154 H ASP 19 H ASP 19 4.517 -1.862 -6.805 155 HA ASP 19 HA ASP 19 2.607 -3.645 -5.586 156 HB2 ASP 19 2HB ASP 19 4.762 -4.523 -6.493 157 HB3 ASP 19 1HB ASP 19 5.654 -3.522 -5.350 158 H VAL 20 H VAL 20 2.166 -3.755 -3.411 159 HA VAL 20 HA VAL 20 3.261 -1.664 -1.613 160 HB VAL 20 HB VAL 20 0.988 -1.847 -0.395 161 HG11 VAL 20 1HG1 VAL 20 1.565 0.123 -1.746 162 HG12 VAL 20 2HG1 VAL 20 -0.151 -0.255 -1.913 163 HG13 VAL 20 3HG1 VAL 20 0.978 -0.678 -3.205 164 HG21 VAL 20 3HG2 VAL 20 0.176 -3.949 -1.422 165 HG22 VAL 20 1HG2 VAL 20 0.127 -3.175 -3.009 166 HG23 VAL 20 2HG2 VAL 20 -0.957 -2.634 -1.725 167 H GLN 21 H GLN 21 4.211 -2.430 0.193 168 HA GLN 21 HA GLN 21 4.101 -5.340 0.772 169 HB2 GLN 21 2HB GLN 21 6.151 -4.830 -0.464 170 HB3 GLN 21 1HB GLN 21 6.519 -3.488 0.615 171 HG2 GLN 21 2HG GLN 21 6.874 -5.074 2.474 172 HG3 GLN 21 1HG GLN 21 6.473 -6.414 1.405 173 HE21 GLN 21 1HE2 GLN 21 7.950 -5.455 -0.896 174 HE22 GLN 21 2HE2 GLN 21 9.626 -5.604 -0.511 175 H PHE 22 H PHE 22 3.548 -5.759 2.823 176 HA PHE 22 HA PHE 22 3.301 -3.793 4.888 177 HB2 PHE 22 2HB PHE 22 3.185 -6.834 4.925 178 HB3 PHE 22 1HB PHE 22 2.895 -5.854 6.356 179 HD1 PHE 22 HD1 PHE 22 1.059 -3.948 6.049 180 HD2 PHE 22 HD2 PHE 22 1.303 -7.485 3.645 181 HE1 PHE 22 HE1 PHE 22 -1.316 -3.735 5.486 182 HE2 PHE 22 HE2 PHE 22 -1.072 -7.249 3.086 183 HZ PHE 22 HZ PHE 22 -2.382 -5.379 4.005 184 H ARG 23 H ARG 23 4.545 -3.563 6.779 185 HA ARG 23 HA ARG 23 7.066 -5.036 7.053 186 HB2 ARG 23 2HB ARG 23 7.593 -2.910 5.812 187 HB3 ARG 23 1HB ARG 23 6.939 -1.990 7.161 188 HG2 ARG 23 2HG ARG 23 9.383 -2.050 7.284 189 HG3 ARG 23 1HG ARG 23 8.690 -2.919 8.652 190 HD2 ARG 23 2HD ARG 23 9.059 -5.073 7.362 191 HD3 ARG 23 1HD ARG 23 9.924 -4.122 6.147 192 HE ARG 23 HE ARG 23 11.129 -3.525 8.560 193 HH11 ARG 23 1HH1 ARG 23 10.637 -6.456 6.674 194 HH12 ARG 23 2HH1 ARG 23 12.066 -7.221 7.275 195 HH21 ARG 23 1HH2 ARG 23 13.005 -4.551 9.334 196 HH22 ARG 23 2HH2 ARG 23 13.408 -6.142 8.779 197 H ARG 24 H ARG 24 7.018 -5.866 9.023 198 HA ARG 24 HA ARG 24 5.509 -4.534 11.189 199 HB2 ARG 24 2HB ARG 24 6.148 -7.480 10.745 200 HB3 ARG 24 1HB ARG 24 5.427 -6.848 12.225 201 HG2 ARG 24 2HG ARG 24 3.485 -6.027 10.916 202 HG3 ARG 24 1HG ARG 24 4.198 -6.700 9.448 203 HD2 ARG 24 2HD ARG 24 3.401 -8.317 11.896 204 HD3 ARG 24 1HD ARG 24 2.416 -8.143 10.439 205 HE ARG 24 HE ARG 24 4.764 -9.072 9.463 206 HH11 ARG 24 1HH1 ARG 24 2.658 -10.272 12.017 207 HH12 ARG 24 2HH1 ARG 24 3.104 -11.926 11.768 208 HH21 ARG 24 1HH2 ARG 24 5.338 -11.227 9.154 209 HH22 ARG 24 2HH2 ARG 24 4.633 -12.469 10.137 210 H THR 25 H THR 25 6.820 -3.437 12.437 211 HA THR 25 HA THR 25 9.159 -4.692 13.664 212 HB THR 25 HB THR 25 10.131 -3.449 11.765 213 HG1 THR 25 HG1 THR 25 11.043 -1.694 13.562 214 HG21 THR 25 3HG2 THR 25 9.999 -0.977 11.634 215 HG22 THR 25 1HG2 THR 25 8.811 -0.975 12.941 216 HG23 THR 25 2HG2 THR 25 8.418 -1.720 11.392 217 H GLN 26 H GLN 26 9.486 -4.013 15.763 218 HA GLN 26 HA GLN 26 8.973 -3.316 17.844 219 HB2 GLN 26 2HB GLN 26 7.739 -0.885 16.470 220 HB3 GLN 26 1HB GLN 26 8.116 -0.991 18.185 221 HG2 GLN 26 2HG GLN 26 10.219 -1.192 16.009 222 HG3 GLN 26 1HG GLN 26 9.738 0.333 16.741 223 HE21 GLN 26 1HE2 GLN 26 11.837 0.713 17.519 224 HE22 GLN 26 2HE2 GLN 26 12.500 -0.170 18.849 225 H GLY 27 H GLY 27 7.033 -4.880 16.148 226 HA2 GLY 27 2HA GLY 27 5.025 -5.949 16.514 227 HA3 GLY 27 1HA GLY 27 4.766 -4.957 17.939 228 H LYS 28 H LYS 28 5.456 -2.961 15.356 229 HA LYS 28 HA LYS 28 2.617 -2.212 14.965 230 HB2 LYS 28 2HB LYS 28 5.158 -0.618 14.387 231 HB3 LYS 28 1HB LYS 28 3.502 -0.012 14.332 232 HG2 LYS 28 2HG LYS 28 3.263 -0.155 16.708 233 HG3 LYS 28 1HG LYS 28 4.751 -1.095 16.873 234 HD2 LYS 28 2HD LYS 28 6.059 0.886 16.104 235 HD3 LYS 28 1HD LYS 28 4.563 1.826 16.017 236 HE2 LYS 28 2HE LYS 28 4.241 1.607 18.425 237 HE3 LYS 28 1HE LYS 28 5.634 0.530 18.551 238 HZ1 LYS 28 3HZ LYS 28 6.218 2.737 19.237 239 HZ2 LYS 28 1HZ LYS 28 5.705 3.391 17.761 240 HZ3 LYS 28 2HZ LYS 28 7.037 2.354 17.811 241 H ILE 29 H ILE 29 2.053 -1.432 12.756 242 HA ILE 29 HA ILE 29 3.442 -2.977 10.648 243 HB ILE 29 HB ILE 29 1.316 -4.048 11.176 244 HG12 ILE 29 2HG1 ILE 29 0.246 -4.046 8.920 245 HG13 ILE 29 1HG1 ILE 29 1.134 -2.585 8.496 246 HG21 ILE 29 1HG2 ILE 29 -0.866 -2.939 10.906 247 HG22 ILE 29 2HG2 ILE 29 -0.056 -1.411 10.563 248 HG23 ILE 29 3HG2 ILE 29 0.103 -2.155 12.156 249 HD11 ILE 29 3HD1 ILE 29 3.238 -3.824 8.689 250 HD12 ILE 29 1HD1 ILE 29 2.143 -4.548 7.516 251 HD13 ILE 29 2HD1 ILE 29 2.336 -5.284 9.103 252 H PHE 30 H PHE 30 3.979 -1.958 8.845 253 HA PHE 30 HA PHE 30 3.104 0.801 8.248 254 HB2 PHE 30 2HB PHE 30 5.970 -0.279 8.034 255 HB3 PHE 30 1HB PHE 30 5.447 1.334 7.563 256 HD1 PHE 30 HD2 PHE 30 6.064 -0.905 10.482 257 HD2 PHE 30 HD1 PHE 30 5.215 3.097 9.213 258 HE1 PHE 30 HE2 PHE 30 6.569 -0.076 12.739 259 HE2 PHE 30 HE1 PHE 30 5.727 3.912 11.473 260 HZ PHE 30 HZ PHE 30 6.401 2.331 13.240 261 H LEU 31 H LEU 31 2.251 0.813 6.167 262 HA LEU 31 HA LEU 31 2.852 -1.418 4.355 263 HB2 LEU 31 2HB LEU 31 0.476 -0.673 4.630 264 HB3 LEU 31 1HB LEU 31 0.908 0.889 3.952 265 HG LEU 31 HG LEU 31 1.599 -0.299 1.811 266 HD11 LEU 31 1HD1 LEU 31 2.029 -2.520 2.712 267 HD12 LEU 31 2HD1 LEU 31 0.835 -2.604 1.422 268 HD13 LEU 31 3HD1 LEU 31 0.319 -2.723 3.108 269 HD21 LEU 31 3HD2 LEU 31 -0.574 0.806 1.956 270 HD22 LEU 31 1HD2 LEU 31 -1.302 -0.664 2.612 271 HD23 LEU 31 2HD2 LEU 31 -0.669 -0.646 0.962 272 H GLN 32 H GLN 32 4.855 -1.077 3.563 273 HA GLN 32 HA GLN 32 5.742 1.514 2.573 274 HB2 GLN 32 2HB GLN 32 7.169 -1.176 2.699 275 HB3 GLN 32 1HB GLN 32 7.909 0.352 2.214 276 HG2 GLN 32 2HG GLN 32 7.368 1.272 4.479 277 HG3 GLN 32 1HG GLN 32 6.773 -0.317 4.948 278 HE21 GLN 32 1HE2 GLN 32 8.999 1.345 5.999 279 HE22 GLN 32 2HE2 GLN 32 10.396 0.330 5.921 280 H VAL 33 H VAL 33 4.733 2.009 0.720 281 HA VAL 33 HA VAL 33 4.160 0.274 -1.448 282 HB VAL 33 HB VAL 33 4.547 3.302 -1.534 283 HG11 VAL 33 1HG1 VAL 33 3.091 3.242 -3.546 284 HG12 VAL 33 2HG1 VAL 33 3.045 1.479 -3.463 285 HG13 VAL 33 3HG1 VAL 33 4.569 2.308 -3.791 286 HG21 VAL 33 3HG2 VAL 33 2.095 3.491 -1.240 287 HG22 VAL 33 1HG2 VAL 33 2.852 2.711 0.152 288 HG23 VAL 33 2HG2 VAL 33 1.980 1.741 -1.037 289 H MET 34 H MET 34 5.640 -0.706 -2.624 290 HA MET 34 HA MET 34 8.407 -0.069 -2.712 291 HB2 MET 34 2HB MET 34 6.788 -2.005 -4.430 292 HB3 MET 34 1HB MET 34 8.543 -1.980 -4.296 293 HG2 MET 34 2HG MET 34 6.749 -2.489 -1.913 294 HG3 MET 34 1HG MET 34 7.308 -3.774 -2.974 295 HE1 MET 34 3HE MET 34 8.834 -0.701 -0.822 296 HE2 MET 34 1HE MET 34 9.773 -1.700 0.284 297 HE3 MET 34 2HE MET 34 8.018 -1.870 0.219 298 H TRP 35 H TRP 35 9.647 0.421 -4.559 299 HA TRP 35 HA TRP 35 8.583 2.366 -6.397 300 HB2 TRP 35 2HB TRP 35 10.993 2.394 -7.254 301 HB3 TRP 35 1HB TRP 35 10.769 2.814 -5.562 302 HD1 TRP 35 HD1 TRP 35 12.377 0.122 -7.775 303 HE1 TRP 35 HE1 TRP 35 13.909 -1.338 -6.314 304 HE3 TRP 35 HE3 TRP 35 11.044 1.878 -3.140 305 HZ2 TRP 35 HZ2 TRP 35 14.471 -1.713 -3.580 306 HZ3 TRP 35 HZ3 TRP 35 12.132 0.906 -1.152 307 HH2 TRP 35 HH2 TRP 35 13.814 -0.856 -1.374 308 H LYS 36 H LYS 36 8.667 -0.950 -6.414 309 HA LYS 36 HA LYS 36 8.983 -1.460 -9.247 310 HB2 LYS 36 2HB LYS 36 7.824 -3.314 -7.116 311 HB3 LYS 36 1HB LYS 36 8.549 -3.775 -8.657 312 HG2 LYS 36 2HG LYS 36 10.749 -3.251 -7.903 313 HG3 LYS 36 1HG LYS 36 10.143 -2.367 -6.497 314 HD2 LYS 36 2HD LYS 36 9.211 -4.563 -5.636 315 HD3 LYS 36 1HD LYS 36 10.067 -5.377 -6.951 316 HE2 LYS 36 2HE LYS 36 12.205 -4.650 -6.067 317 HE3 LYS 36 1HE LYS 36 11.415 -3.631 -4.862 318 HZ1 LYS 36 3HZ LYS 36 10.466 -5.657 -3.892 319 HZ2 LYS 36 1HZ LYS 36 12.156 -5.641 -3.840 320 HZ3 LYS 36 2HZ LYS 36 11.351 -6.594 -4.986 321 H TYR 37 H TYR 37 7.316 -1.578 -10.720 322 HA TYR 37 HA TYR 37 4.526 -1.684 -9.777 323 HB2 TYR 37 2HB TYR 37 3.906 -0.016 -11.629 324 HB3 TYR 37 1HB TYR 37 4.695 0.651 -10.215 325 HD1 TYR 37 HD1 TYR 37 7.013 1.550 -10.365 326 HD2 TYR 37 HD2 TYR 37 5.030 0.015 -13.809 327 HE1 TYR 37 HE1 TYR 37 8.659 2.656 -11.805 328 HE2 TYR 37 HE2 TYR 37 6.674 1.117 -15.255 329 HH TYR 37 HH TYR 37 8.245 2.927 -15.212 330 H LEU 38 H LEU 38 3.005 -2.326 -11.501 331 HA LEU 38 HA LEU 38 3.886 -4.828 -12.481 332 HB2 LEU 38 2HB LEU 38 1.566 -4.373 -11.659 333 HB3 LEU 38 1HB LEU 38 1.274 -3.390 -13.085 334 HG LEU 38 HG LEU 38 1.651 -5.448 -14.520 335 HD11 LEU 38 1HD1 LEU 38 3.029 -6.745 -12.977 336 HD12 LEU 38 2HD1 LEU 38 1.624 -7.668 -13.498 337 HD13 LEU 38 3HD1 LEU 38 1.654 -6.949 -11.887 338 HD21 LEU 38 3HD2 LEU 38 -0.602 -5.746 -12.520 339 HD22 LEU 38 1HD2 LEU 38 -0.517 -6.460 -14.129 340 HD23 LEU 38 2HD2 LEU 38 -0.629 -4.712 -13.947 341 H GLU 39 H GLU 39 3.823 -1.702 -13.985 342 HA GLU 39 HA GLU 39 3.638 -2.528 -16.705 343 HB2 GLU 39 2HB GLU 39 3.404 -0.119 -15.591 344 HB3 GLU 39 1HB GLU 39 5.129 -0.029 -15.899 345 HG2 GLU 39 2HG GLU 39 4.116 1.020 -17.750 346 HG3 GLU 39 1HG GLU 39 4.610 -0.570 -18.338 347 H GLN 40 H GLN 40 6.263 -2.491 -14.407 348 HA GLN 40 HA GLN 40 8.436 -2.796 -16.259 349 HB2 GLN 40 2HB GLN 40 8.241 -3.458 -13.284 350 HB3 GLN 40 1HB GLN 40 9.734 -3.557 -14.220 351 HG2 GLN 40 2HG GLN 40 9.614 -1.133 -14.674 352 HG3 GLN 40 1HG GLN 40 8.112 -1.034 -13.757 353 HE21 GLN 40 1HE2 GLN 40 11.581 -1.430 -13.537 354 HE22 GLN 40 2HE2 GLN 40 11.701 -1.138 -11.838 355 H ALA 41 H ALA 41 9.092 -4.584 -17.286 356 HA ALA 41 HA ALA 41 7.772 -7.111 -17.127 357 HB1 ALA 41 3HB ALA 41 9.481 -7.857 -18.747 358 HB2 ALA 41 1HB ALA 41 10.414 -6.386 -18.460 359 HB3 ALA 41 2HB ALA 41 8.821 -6.289 -19.212 360 H SER 42 H SER 42 10.387 -5.686 -15.367 361 HA SER 42 HA SER 42 11.643 -8.103 -14.410 362 HB2 SER 42 2HB SER 42 11.879 -5.232 -13.402 363 HB3 SER 42 1HB SER 42 12.961 -6.567 -12.998 364 HG SER 42 HG SER 42 13.407 -6.690 -15.292 365 H PHE 43 H PHE 43 8.623 -7.059 -13.770 366 HA PHE 43 HA PHE 43 8.456 -7.069 -10.934 367 HB2 PHE 43 2HB PHE 43 6.780 -6.131 -12.745 368 HB3 PHE 43 1HB PHE 43 6.135 -7.768 -12.770 369 HD1 PHE 43 HD1 PHE 43 6.893 -4.909 -10.492 370 HD2 PHE 43 HD2 PHE 43 4.520 -8.422 -11.112 371 HE1 PHE 43 HE1 PHE 43 5.542 -4.345 -8.532 372 HE2 PHE 43 HE2 PHE 43 3.176 -7.840 -9.146 373 HZ PHE 43 HZ PHE 43 3.677 -5.804 -7.852 374 HA PRO 44 HA PRO 44 9.098 -11.524 -10.652 375 HB2 PRO 44 2HB PRO 44 9.239 -11.814 -7.983 376 HB3 PRO 44 1HB PRO 44 10.400 -10.764 -8.828 377 HG2 PRO 44 2HG PRO 44 7.896 -9.959 -7.343 378 HG3 PRO 44 1HG PRO 44 9.535 -9.279 -7.222 379 HD2 PRO 44 2HD PRO 44 7.559 -8.174 -8.805 380 HD3 PRO 44 1HD PRO 44 9.294 -7.998 -9.146 381 H MET 45 H MET 45 6.121 -10.188 -10.155 382 HA MET 45 HA MET 45 4.847 -12.810 -9.601 383 HB2 MET 45 2HB MET 45 3.820 -10.029 -8.846 384 HB3 MET 45 1HB MET 45 2.862 -11.499 -8.729 385 HG2 MET 45 2HG MET 45 4.532 -12.393 -7.093 386 HG3 MET 45 1HG MET 45 5.353 -10.832 -7.133 387 HE1 MET 45 3HE MET 45 2.594 -8.463 -5.602 388 HE2 MET 45 1HE MET 45 2.785 -8.812 -7.320 389 HE3 MET 45 2HE MET 45 4.208 -8.550 -6.310 390 H ASN 46 H ASN 46 2.977 -13.268 -10.855 391 HA ASN 46 HA ASN 46 2.823 -12.187 -13.494 392 HB2 ASN 46 2HB ASN 46 0.695 -13.809 -12.015 393 HB3 ASN 46 1HB ASN 46 0.756 -13.530 -13.747 394 HD21 ASN 46 1HD2 ASN 46 0.753 -15.741 -14.186 395 HD22 ASN 46 2HD2 ASN 46 2.125 -16.748 -13.888 396 H GLU 47 H GLU 47 0.723 -11.247 -14.348 397 HA GLU 47 HA GLU 47 0.066 -8.836 -13.005 398 HB2 GLU 47 2HB GLU 47 -1.297 -10.201 -15.362 399 HB3 GLU 47 1HB GLU 47 -1.572 -8.531 -14.856 400 HG2 GLU 47 2HG GLU 47 0.769 -7.969 -15.326 401 HG3 GLU 47 1HG GLU 47 1.114 -9.643 -15.749 402 H THR 48 H THR 48 -1.610 -11.966 -13.345 403 HA THR 48 HA THR 48 -3.946 -11.384 -11.900 404 HB THR 48 HB THR 48 -2.540 -14.097 -11.952 405 HG1 THR 48 HG1 THR 48 -2.931 -14.077 -14.015 406 HG21 THR 48 3HG2 THR 48 -5.492 -13.384 -11.711 407 HG22 THR 48 1HG2 THR 48 -4.474 -13.932 -10.380 408 HG23 THR 48 2HG2 THR 48 -4.822 -15.017 -11.729 409 H GLU 49 H GLU 49 -0.816 -12.772 -10.820 410 HA GLU 49 HA GLU 49 -1.428 -13.149 -8.103 411 HB2 GLU 49 2HB GLU 49 1.329 -12.556 -9.262 412 HB3 GLU 49 1HB GLU 49 0.994 -13.353 -7.727 413 HG2 GLU 49 2HG GLU 49 0.467 -14.433 -10.509 414 HG3 GLU 49 1HG GLU 49 1.692 -14.987 -9.369 415 H TYR 50 H TYR 50 -0.247 -10.326 -9.828 416 HA TYR 50 HA TYR 50 0.425 -8.675 -7.643 417 HB2 TYR 50 2HB TYR 50 1.266 -8.030 -9.790 418 HB3 TYR 50 1HB TYR 50 -0.333 -8.087 -10.525 419 HD1 TYR 50 HD1 TYR 50 1.487 -6.248 -7.775 420 HD2 TYR 50 HD2 TYR 50 -1.433 -6.041 -10.896 421 HE1 TYR 50 HE1 TYR 50 1.157 -3.862 -7.312 422 HE2 TYR 50 HE2 TYR 50 -1.745 -3.661 -10.442 423 HH TYR 50 HH TYR 50 0.251 -1.907 -8.215 424 H GLN 51 H GLN 51 -2.612 -9.035 -9.521 425 HA GLN 51 HA GLN 51 -4.020 -6.996 -8.093 426 HB2 GLN 51 2HB GLN 51 -4.577 -7.762 -10.447 427 HB3 GLN 51 1HB GLN 51 -5.239 -9.240 -9.759 428 HG2 GLN 51 2HG GLN 51 -7.041 -7.664 -10.251 429 HG3 GLN 51 1HG GLN 51 -6.913 -7.905 -8.506 430 HE21 GLN 51 1HE2 GLN 51 -7.861 -5.931 -7.952 431 HE22 GLN 51 2HE2 GLN 51 -7.119 -4.399 -8.252 432 H GLU 52 H GLU 52 -3.744 -10.504 -7.761 433 HA GLU 52 HA GLU 52 -5.610 -10.976 -5.699 434 HB2 GLU 52 2HB GLU 52 -2.947 -12.357 -6.243 435 HB3 GLU 52 1HB GLU 52 -4.204 -12.992 -5.184 436 HG2 GLU 52 2HG GLU 52 -4.496 -12.544 -8.175 437 HG3 GLU 52 1HG GLU 52 -4.129 -14.084 -7.408 438 H HIS 53 H HIS 53 -2.197 -10.056 -5.685 439 HA HIS 53 HA HIS 53 -1.695 -10.031 -2.918 440 HB2 HIS 53 2HB HIS 53 0.123 -10.038 -4.562 441 HB3 HIS 53 1HB HIS 53 -0.380 -8.475 -5.189 442 HD1 HIS 53 HD1 HIS 53 1.111 -10.012 -2.060 443 HD2 HIS 53 HD2 HIS 53 0.799 -6.327 -3.954 444 HE1 HIS 53 HE1 HIS 53 2.615 -8.466 -0.785 445 HE2 HIS 53 HE2 HIS 53 2.609 -6.336 -2.124 446 H LEU 54 H LEU 54 -2.792 -7.457 -5.147 447 HA LEU 54 HA LEU 54 -2.801 -5.281 -3.358 448 HB2 LEU 54 2HB LEU 54 -4.544 -5.850 -5.768 449 HB3 LEU 54 1HB LEU 54 -4.577 -4.319 -4.899 450 HG LEU 54 HG LEU 54 -2.182 -5.441 -6.389 451 HD11 LEU 54 1HD1 LEU 54 -2.666 -3.583 -7.957 452 HD12 LEU 54 2HD1 LEU 54 -4.157 -3.267 -7.076 453 HD13 LEU 54 3HD1 LEU 54 -3.931 -4.807 -7.907 454 HD21 LEU 54 3HD2 LEU 54 -1.464 -4.057 -4.481 455 HD22 LEU 54 1HD2 LEU 54 -2.544 -2.755 -4.993 456 HD23 LEU 54 2HD2 LEU 54 -1.167 -3.215 -6.000 457 H ASP 55 H ASP 55 -5.369 -7.571 -4.264 458 HA ASP 55 HA ASP 55 -7.370 -6.317 -2.671 459 HB2 ASP 55 2HB ASP 55 -7.744 -7.743 -4.794 460 HB3 ASP 55 1HB ASP 55 -7.544 -9.157 -3.757 461 H SER 56 H SER 56 -5.044 -8.872 -2.136 462 HA SER 56 HA SER 56 -6.071 -9.860 0.342 463 HB2 SER 56 2HB SER 56 -4.451 -11.122 -1.106 464 HB3 SER 56 1HB SER 56 -3.203 -9.936 -0.719 465 HG SER 56 HG SER 56 -4.556 -11.641 1.095 466 H VAL 57 H VAL 57 -3.767 -7.330 -0.584 467 HA VAL 57 HA VAL 57 -2.906 -6.614 2.029 468 HB VAL 57 HB VAL 57 -2.713 -5.178 -0.656 469 HG11 VAL 57 1HG1 VAL 57 -1.624 -4.163 2.002 470 HG12 VAL 57 2HG1 VAL 57 -2.883 -3.396 1.036 471 HG13 VAL 57 3HG1 VAL 57 -1.234 -3.480 0.420 472 HG21 VAL 57 3HG2 VAL 57 -1.225 -7.122 -0.362 473 HG22 VAL 57 1HG2 VAL 57 -0.612 -6.453 1.152 474 HG23 VAL 57 2HG2 VAL 57 -0.270 -5.641 -0.380 475 H ALA 58 H ALA 58 -5.351 -5.230 -0.175 476 HA ALA 58 HA ALA 58 -6.088 -3.063 1.511 477 HB1 ALA 58 3HB ALA 58 -6.349 -2.973 -0.932 478 HB2 ALA 58 1HB ALA 58 -7.887 -2.674 -0.112 479 HB3 ALA 58 2HB ALA 58 -7.568 -4.245 -0.854 480 H ASN 59 H ASN 59 -7.198 -6.370 1.177 481 HA ASN 59 HA ASN 59 -9.560 -6.216 2.783 482 HB2 ASN 59 2HB ASN 59 -9.193 -8.100 1.258 483 HB3 ASN 59 1HB ASN 59 -7.721 -8.555 2.103 484 HD21 ASN 59 1HD2 ASN 59 -8.527 -10.644 2.432 485 HD22 ASN 59 2HD2 ASN 59 -9.760 -10.989 3.591 486 H TYR 60 H TYR 60 -6.146 -6.945 3.424 487 HA TYR 60 HA TYR 60 -6.303 -7.487 6.195 488 HB2 TYR 60 2HB TYR 60 -4.396 -7.900 4.389 489 HB3 TYR 60 1HB TYR 60 -3.858 -6.294 4.846 490 HD1 TYR 60 HD1 TYR 60 -4.708 -6.894 7.936 491 HD2 TYR 60 HD2 TYR 60 -2.227 -8.816 5.030 492 HE1 TYR 60 HE1 TYR 60 -3.383 -7.890 9.722 493 HE2 TYR 60 HE2 TYR 60 -0.912 -9.824 6.825 494 HH TYR 60 HH TYR 60 -1.887 -9.912 10.030 495 H LEU 61 H LEU 61 -5.770 -4.528 4.309 496 HA LEU 61 HA LEU 61 -5.204 -2.720 6.410 497 HB2 LEU 61 2HB LEU 61 -6.379 -2.236 3.648 498 HB3 LEU 61 1HB LEU 61 -5.835 -0.957 4.720 499 HG LEU 61 HG LEU 61 -4.030 -3.100 3.542 500 HD11 LEU 61 1HD1 LEU 61 -4.877 -1.627 1.787 501 HD12 LEU 61 2HD1 LEU 61 -3.158 -1.370 2.062 502 HD13 LEU 61 3HD1 LEU 61 -4.332 -0.210 2.690 503 HD21 LEU 61 3HD2 LEU 61 -3.324 -0.603 5.116 504 HD22 LEU 61 1HD2 LEU 61 -2.175 -1.710 4.353 505 HD23 LEU 61 2HD2 LEU 61 -3.185 -2.271 5.680 506 H HIS 62 H HIS 62 -8.163 -3.713 4.762 507 HA HIS 62 HA HIS 62 -10.026 -2.021 6.055 508 HB2 HIS 62 2HB HIS 62 -10.639 -3.116 3.983 509 HB3 HIS 62 1HB HIS 62 -10.323 -4.706 4.656 510 HD1 HIS 62 HD1 HIS 62 -12.397 -5.928 5.140 511 HD2 HIS 62 HD2 HIS 62 -12.924 -1.840 5.618 512 HE1 HIS 62 HE1 HIS 62 -14.790 -5.631 5.794 513 HE2 HIS 62 HE2 HIS 62 -15.054 -3.170 6.226 514 H ALA 63 H ALA 63 -8.758 -5.243 6.817 515 HA ALA 63 HA ALA 63 -10.435 -5.876 9.010 516 HB1 ALA 63 3HB ALA 63 -9.109 -7.570 7.804 517 HB2 ALA 63 1HB ALA 63 -8.740 -7.599 9.532 518 HB3 ALA 63 2HB ALA 63 -7.618 -6.840 8.399 519 H LEU 64 H LEU 64 -7.255 -4.330 8.778 520 HA LEU 64 HA LEU 64 -6.852 -3.970 11.593 521 HB2 LEU 64 2HB LEU 64 -5.458 -2.737 9.187 522 HB3 LEU 64 1HB LEU 64 -4.920 -2.539 10.846 523 HG LEU 64 HG LEU 64 -4.996 -5.171 9.316 524 HD11 LEU 64 1HD1 LEU 64 -2.549 -5.066 9.352 525 HD12 LEU 64 2HD1 LEU 64 -2.614 -3.479 10.126 526 HD13 LEU 64 3HD1 LEU 64 -3.238 -3.693 8.488 527 HD21 LEU 64 3HD2 LEU 64 -5.406 -5.564 11.693 528 HD22 LEU 64 1HD2 LEU 64 -3.985 -4.607 12.126 529 HD23 LEU 64 2HD2 LEU 64 -3.798 -6.129 11.249 530 H GLY 65 H GLY 65 -8.453 -2.130 9.109 531 HA2 GLY 65 2HA GLY 65 -9.682 -0.163 9.260 532 HA3 GLY 65 1HA GLY 65 -9.088 0.100 10.895 533 H GLY 66 H GLY 66 -6.482 -0.639 8.942 534 HA2 GLY 66 2HA GLY 66 -5.491 2.099 8.939 535 HA3 GLY 66 1HA GLY 66 -4.600 0.643 8.516 536 H ALA 67 H ALA 67 -7.417 0.448 6.801 537 HA ALA 67 HA ALA 67 -6.312 0.980 4.264 538 HB1 ALA 67 3HB ALA 67 -8.610 0.731 3.415 539 HB2 ALA 67 1HB ALA 67 -9.245 0.872 5.056 540 HB3 ALA 67 2HB ALA 67 -8.244 -0.512 4.613 541 H VAL 68 H VAL 68 -8.437 2.916 6.344 542 HA VAL 68 HA VAL 68 -8.744 5.197 4.698 543 HB VAL 68 HB VAL 68 -8.826 5.006 7.756 544 HG11 VAL 68 1HG1 VAL 68 -10.257 7.035 7.680 545 HG12 VAL 68 2HG1 VAL 68 -10.023 7.136 5.932 546 HG13 VAL 68 3HG1 VAL 68 -8.652 7.354 7.022 547 HG21 VAL 68 3HG2 VAL 68 -11.281 4.737 7.497 548 HG22 VAL 68 1HG2 VAL 68 -10.398 3.422 6.713 549 HG23 VAL 68 2HG2 VAL 68 -11.095 4.721 5.742 550 H GLN 69 H GLN 69 -6.235 4.213 7.001 551 HA GLN 69 HA GLN 69 -4.857 6.693 7.144 552 HB2 GLN 69 2HB GLN 69 -3.921 3.867 7.748 553 HB3 GLN 69 1HB GLN 69 -2.946 5.299 8.072 554 HG2 GLN 69 2HG GLN 69 -5.685 4.786 9.279 555 HG3 GLN 69 1HG GLN 69 -4.158 4.393 10.066 556 HE21 GLN 69 1HE2 GLN 69 -4.676 5.778 11.793 557 HE22 GLN 69 2HE2 GLN 69 -4.553 7.490 11.667 558 H VAL 70 H VAL 70 -4.552 3.893 5.021 559 HA VAL 70 HA VAL 70 -2.205 4.673 3.615 560 HB VAL 70 HB VAL 70 -4.542 2.897 2.769 561 HG11 VAL 70 1HG1 VAL 70 -3.027 1.964 1.024 562 HG12 VAL 70 2HG1 VAL 70 -1.826 3.193 1.432 563 HG13 VAL 70 3HG1 VAL 70 -3.377 3.671 0.746 564 HG21 VAL 70 3HG2 VAL 70 -3.040 1.030 3.370 565 HG22 VAL 70 1HG2 VAL 70 -3.309 2.094 4.756 566 HG23 VAL 70 2HG2 VAL 70 -1.791 2.177 3.857 567 H LYS 71 H LYS 71 -5.656 5.200 3.051 568 HA LYS 71 HA LYS 71 -5.476 6.560 0.580 569 HB2 LYS 71 2HB LYS 71 -7.645 6.530 2.716 570 HB3 LYS 71 1HB LYS 71 -7.853 7.237 1.120 571 HG2 LYS 71 2HG LYS 71 -7.435 5.029 0.079 572 HG3 LYS 71 1HG LYS 71 -7.225 4.321 1.677 573 HD2 LYS 71 2HD LYS 71 -9.429 3.739 1.067 574 HD3 LYS 71 1HD LYS 71 -9.632 5.096 2.171 575 HE2 LYS 71 2HE LYS 71 -9.732 5.274 -0.864 576 HE3 LYS 71 1HE LYS 71 -11.140 5.211 0.193 577 HZ1 LYS 71 3HZ LYS 71 -9.119 7.381 0.045 578 HZ2 LYS 71 1HZ LYS 71 -10.350 7.304 1.208 579 HZ3 LYS 71 2HZ LYS 71 -10.739 7.455 -0.430 580 H THR 72 H THR 72 -5.887 7.789 3.895 581 HA THR 72 HA THR 72 -5.975 10.541 3.359 582 HB THR 72 HB THR 72 -5.118 9.107 5.917 583 HG1 THR 72 HG1 THR 72 -7.176 8.714 6.163 584 HG21 THR 72 3HG2 THR 72 -6.151 11.947 5.582 585 HG22 THR 72 1HG2 THR 72 -4.483 11.516 5.975 586 HG23 THR 72 2HG2 THR 72 -5.786 11.155 7.114 587 H PHE 73 H PHE 73 -3.267 8.362 4.094 588 HA PHE 73 HA PHE 73 -1.255 10.338 4.419 589 HB2 PHE 73 2HB PHE 73 -1.081 7.972 5.268 590 HB3 PHE 73 1HB PHE 73 -0.900 7.418 3.611 591 HD1 PHE 73 HD2 PHE 73 0.703 9.519 6.249 592 HD2 PHE 73 HD1 PHE 73 1.270 7.427 2.557 593 HE1 PHE 73 HE2 PHE 73 3.136 9.831 6.433 594 HE2 PHE 73 HE1 PHE 73 3.693 7.743 2.762 595 HZ PHE 73 HZ PHE 73 4.628 8.940 4.689 596 H ILE 74 H ILE 74 -1.885 8.075 1.697 597 HA ILE 74 HA ILE 74 0.120 8.967 -0.022 598 HB ILE 74 HB ILE 74 -2.459 7.455 -0.566 599 HG12 ILE 74 2HG1 ILE 74 0.472 6.604 -0.491 600 HG13 ILE 74 1HG1 ILE 74 -0.763 6.214 0.699 601 HG21 ILE 74 1HG2 ILE 74 -1.965 8.645 -2.659 602 HG22 ILE 74 2HG2 ILE 74 -1.685 6.918 -2.849 603 HG23 ILE 74 3HG2 ILE 74 -0.315 8.013 -2.649 604 HD11 ILE 74 3HD1 ILE 74 -0.616 5.197 -2.144 605 HD12 ILE 74 1HD1 ILE 74 -1.927 4.852 -1.011 606 HD13 ILE 74 2HD1 ILE 74 -0.294 4.292 -0.666 607 H THR 75 H THR 75 -3.278 10.025 0.151 608 HA THR 75 HA THR 75 -3.399 11.670 -2.105 609 HB THR 75 HB THR 75 -4.877 11.899 0.549 610 HG1 THR 75 HG1 THR 75 -5.838 10.212 -0.248 611 HG21 THR 75 3HG2 THR 75 -5.060 14.060 -0.617 612 HG22 THR 75 1HG2 THR 75 -6.595 13.194 -0.693 613 HG23 THR 75 2HG2 THR 75 -5.536 13.237 -2.104 614 H GLN 76 H GLN 76 -2.559 12.556 1.270 615 HA GLN 76 HA GLN 76 -2.255 15.350 0.626 616 HB2 GLN 76 2HB GLN 76 -1.669 13.846 3.206 617 HB3 GLN 76 1HB GLN 76 -1.671 15.606 3.038 618 HG2 GLN 76 2HG GLN 76 -4.081 15.503 2.405 619 HG3 GLN 76 1HG GLN 76 -4.065 13.760 2.682 620 HE21 GLN 76 1HE2 GLN 76 -3.722 13.008 4.833 621 HE22 GLN 76 2HE2 GLN 76 -4.108 14.005 6.190 622 H THR 77 H THR 77 -0.021 12.678 1.390 623 HA THR 77 HA THR 77 2.347 14.305 1.436 624 HB THR 77 HB THR 77 2.153 12.060 2.645 625 HG1 THR 77 HG1 THR 77 4.367 11.520 2.129 626 HG21 THR 77 3HG2 THR 77 2.692 9.985 1.426 627 HG22 THR 77 1HG2 THR 77 2.727 10.860 -0.105 628 HG23 THR 77 2HG2 THR 77 1.207 10.677 0.771 629 H LYS 78 H LYS 78 3.992 14.417 -0.159 630 HA LYS 78 HA LYS 78 3.153 13.782 -2.940 631 HB2 LYS 78 2HB LYS 78 4.748 15.570 -3.640 632 HB3 LYS 78 1HB LYS 78 3.452 16.172 -2.613 633 HG2 LYS 78 2HG LYS 78 4.989 16.226 -0.682 634 HG3 LYS 78 1HG LYS 78 6.286 15.585 -1.698 635 HD2 LYS 78 2HD LYS 78 6.185 17.611 -3.117 636 HD3 LYS 78 1HD LYS 78 4.872 18.248 -2.121 637 HE2 LYS 78 2HE LYS 78 7.066 19.263 -1.553 638 HE3 LYS 78 1HE LYS 78 6.357 18.395 -0.192 639 HZ1 LYS 78 3HZ LYS 78 7.826 16.506 -0.730 640 HZ2 LYS 78 1HZ LYS 78 8.693 17.913 -0.355 641 HZ3 LYS 78 2HZ LYS 78 8.534 17.420 -1.964 642 H GLU 79 H GLU 79 4.687 12.192 -0.724 643 HA GLU 79 HA GLU 79 7.295 11.655 -1.708 644 HB2 GLU 79 2HB GLU 79 5.440 10.016 0.057 645 HB3 GLU 79 1HB GLU 79 7.095 9.520 -0.310 646 HG2 GLU 79 2HG GLU 79 7.934 11.625 0.704 647 HG3 GLU 79 1HG GLU 79 6.277 12.079 1.121 648 H ARG 80 H ARG 80 7.874 10.606 -3.437 649 HA ARG 80 HA ARG 80 6.017 8.829 -4.877 650 HB2 ARG 80 2HB ARG 80 8.311 10.591 -5.822 651 HB3 ARG 80 1HB ARG 80 7.556 9.382 -6.858 652 HG2 ARG 80 2HG ARG 80 5.522 10.545 -6.975 653 HG3 ARG 80 1HG ARG 80 5.846 11.473 -5.519 654 HD2 ARG 80 2HD ARG 80 7.303 11.820 -8.160 655 HD3 ARG 80 1HD ARG 80 5.959 12.832 -7.615 656 HE ARG 80 HE ARG 80 7.914 12.840 -5.607 657 HH11 ARG 80 1HH1 ARG 80 7.570 14.047 -8.887 658 HH12 ARG 80 2HH1 ARG 80 8.662 15.369 -8.639 659 HH21 ARG 80 1HH2 ARG 80 9.360 14.561 -5.311 660 HH22 ARG 80 2HH2 ARG 80 9.673 15.654 -6.618 661 HA PRO 81 HA PRO 81 8.681 5.405 -3.664 662 HB2 PRO 81 2HB PRO 81 7.645 4.102 -6.166 663 HB3 PRO 81 1HB PRO 81 7.564 3.537 -4.484 664 HG2 PRO 81 2HG PRO 81 5.384 4.449 -5.709 665 HG3 PRO 81 1HG PRO 81 5.689 4.808 -3.992 666 HD2 PRO 81 2HD PRO 81 6.080 6.616 -6.382 667 HD3 PRO 81 1HD PRO 81 5.425 6.988 -4.776 668 H ARG 82 H ARG 82 10.785 5.224 -4.011 669 HA ARG 82 HA ARG 82 12.066 5.786 -6.623 670 HB2 ARG 82 2HB ARG 82 11.998 7.819 -5.146 671 HB3 ARG 82 1HB ARG 82 12.833 6.918 -3.891 672 HG2 ARG 82 2HG ARG 82 14.808 6.706 -5.438 673 HG3 ARG 82 1HG ARG 82 13.953 7.728 -6.600 674 HD2 ARG 82 2HD ARG 82 14.829 8.504 -3.798 675 HD3 ARG 82 1HD ARG 82 15.519 9.089 -5.314 676 HE ARG 82 HE ARG 82 13.053 9.932 -5.654 677 HH11 ARG 82 1HH1 ARG 82 14.904 10.056 -2.651 678 HH12 ARG 82 2HH1 ARG 82 14.079 11.461 -2.063 679 HH21 ARG 82 1HH2 ARG 82 11.998 11.765 -4.832 680 HH22 ARG 82 2HH2 ARG 82 12.442 12.418 -3.297 681 H LEU 83 H LEU 83 14.218 4.833 -6.785 682 HA LEU 83 HA LEU 83 14.469 2.228 -5.716 683 HB2 LEU 83 2HB LEU 83 15.440 2.917 -7.873 684 HB3 LEU 83 1HB LEU 83 16.544 4.007 -7.054 685 HG LEU 83 HG LEU 83 17.634 2.007 -5.961 686 HD11 LEU 83 1HD1 LEU 83 15.768 0.439 -6.053 687 HD12 LEU 83 2HD1 LEU 83 17.196 -0.243 -6.826 688 HD13 LEU 83 3HD1 LEU 83 15.875 0.384 -7.815 689 HD21 LEU 83 3HD2 LEU 83 18.880 1.268 -7.939 690 HD22 LEU 83 1HD2 LEU 83 18.624 3.011 -7.968 691 HD23 LEU 83 2HD2 LEU 83 17.648 1.960 -9.000 692 H GLY 84 H GLY 84 14.696 1.947 -3.573 693 HA2 GLY 84 2HA GLY 84 16.125 1.683 -1.693 694 HA3 GLY 84 1HA GLY 84 16.984 3.151 -2.131 695 H LYS 85 H LYS 85 13.970 4.123 -2.577 696 HA LYS 85 HA LYS 85 13.342 4.750 0.255 697 HB2 LYS 85 2HB LYS 85 14.318 6.723 -0.945 698 HB3 LYS 85 1HB LYS 85 13.054 6.602 -2.158 699 HG2 LYS 85 2HG LYS 85 12.285 6.998 0.735 700 HG3 LYS 85 1HG LYS 85 12.878 8.379 -0.190 701 HD2 LYS 85 2HD LYS 85 11.032 8.146 -1.796 702 HD3 LYS 85 1HD LYS 85 10.492 6.658 -1.018 703 HE2 LYS 85 2HE LYS 85 10.456 9.431 0.215 704 HE3 LYS 85 1HE LYS 85 9.057 8.537 -0.377 705 HZ1 LYS 85 3HZ LYS 85 9.191 8.338 1.992 706 HZ2 LYS 85 1HZ LYS 85 10.790 7.789 1.919 707 HZ3 LYS 85 2HZ LYS 85 9.543 6.827 1.314 708 H ALA 86 H ALA 86 11.710 3.305 0.559 709 HA ALA 86 HA ALA 86 9.430 3.076 -1.260 710 HB1 ALA 86 3HB ALA 86 8.558 1.486 0.413 711 HB2 ALA 86 1HB ALA 86 9.886 1.887 1.508 712 HB3 ALA 86 2HB ALA 86 10.220 1.084 -0.028 713 H VAL 87 H VAL 87 7.335 3.886 -0.786 714 HA VAL 87 HA VAL 87 7.130 6.122 1.055 715 HB VAL 87 HB VAL 87 4.945 4.787 -0.620 716 HG11 VAL 87 1HG1 VAL 87 3.988 6.042 1.284 717 HG12 VAL 87 2HG1 VAL 87 3.621 6.839 -0.244 718 HG13 VAL 87 3HG1 VAL 87 4.889 7.484 0.803 719 HG21 VAL 87 3HG2 VAL 87 6.568 7.298 -1.220 720 HG22 VAL 87 1HG2 VAL 87 5.230 6.676 -2.193 721 HG23 VAL 87 2HG2 VAL 87 6.720 5.744 -2.045 722 H SER 88 H SER 88 7.506 5.253 3.036 723 HA SER 88 HA SER 88 6.209 2.886 4.044 724 HB2 SER 88 2HB SER 88 8.552 3.488 4.680 725 HB3 SER 88 1HB SER 88 7.949 4.924 5.507 726 HG SER 88 HG SER 88 6.965 3.641 7.007 727 H ILE 89 H ILE 89 4.044 3.314 4.021 728 HA ILE 89 HA ILE 89 2.824 5.597 5.279 729 HB ILE 89 HB ILE 89 1.558 2.939 4.476 730 HG12 ILE 89 2HG1 ILE 89 1.683 5.507 2.830 731 HG13 ILE 89 1HG1 ILE 89 2.720 4.109 2.569 732 HG21 ILE 89 1HG2 ILE 89 -0.581 4.175 4.439 733 HG22 ILE 89 2HG2 ILE 89 0.236 5.638 4.992 734 HG23 ILE 89 3HG2 ILE 89 0.149 4.221 6.043 735 HD11 ILE 89 3HD1 ILE 89 0.909 4.152 0.994 736 HD12 ILE 89 1HD1 ILE 89 -0.276 4.168 2.298 737 HD13 ILE 89 2HD1 ILE 89 0.758 2.754 2.058 738 HA PRO 90 HA PRO 90 3.133 3.421 9.314 739 HB2 PRO 90 2HB PRO 90 2.689 5.567 10.926 740 HB3 PRO 90 1HB PRO 90 4.259 5.309 10.142 741 HG2 PRO 90 2HG PRO 90 2.048 7.186 9.359 742 HG3 PRO 90 1HG PRO 90 3.807 7.450 9.345 743 HD2 PRO 90 2HD PRO 90 2.334 6.788 7.093 744 HD3 PRO 90 1HD PRO 90 4.070 6.458 7.275 745 H LEU 91 H LEU 91 1.356 2.139 9.526 746 HA LEU 91 HA LEU 91 -1.336 3.154 9.272 747 HB2 LEU 91 2HB LEU 91 -0.368 0.416 10.191 748 HB3 LEU 91 1HB LEU 91 -2.039 0.844 9.845 749 HG LEU 91 HG LEU 91 0.252 0.636 7.851 750 HD11 LEU 91 1HD1 LEU 91 -1.102 -1.127 6.828 751 HD12 LEU 91 2HD1 LEU 91 -2.324 -0.933 8.088 752 HD13 LEU 91 3HD1 LEU 91 -0.707 -1.502 8.502 753 HD21 LEU 91 3HD2 LEU 91 -1.091 2.569 7.206 754 HD22 LEU 91 1HD2 LEU 91 -2.576 1.619 7.328 755 HD23 LEU 91 2HD2 LEU 91 -1.378 1.242 6.086 756 H ASP 92 H ASP 92 -1.547 4.681 10.790 757 HA ASP 92 HA ASP 92 -0.898 4.407 13.556 758 HB2 ASP 92 2HB ASP 92 -0.916 6.631 12.669 759 HB3 ASP 92 1HB ASP 92 -2.527 6.431 11.988 760 H LEU 93 H LEU 93 -1.856 2.805 14.593 761 HA LEU 93 HA LEU 93 -4.792 2.442 14.459 762 HB2 LEU 93 2HB LEU 93 -2.633 0.304 14.614 763 HB3 LEU 93 1HB LEU 93 -4.357 -0.006 14.735 764 HG LEU 93 HG LEU 93 -2.885 1.009 12.271 765 HD11 LEU 93 1HD1 LEU 93 -4.208 -1.656 12.830 766 HD12 LEU 93 2HD1 LEU 93 -2.475 -1.341 12.712 767 HD13 LEU 93 3HD1 LEU 93 -3.496 -1.156 11.289 768 HD21 LEU 93 3HD2 LEU 93 -5.107 2.025 12.344 769 HD22 LEU 93 1HD2 LEU 93 -5.856 0.445 12.606 770 HD23 LEU 93 2HD2 LEU 93 -5.038 0.801 11.083 771 H GLY 94 H GLY 94 -2.760 3.789 16.409 772 HA2 GLY 94 2HA GLY 94 -2.594 2.222 18.771 773 HA3 GLY 94 1HA GLY 94 -2.383 3.964 18.664 774 H GLU 95 H GLU 95 -4.593 5.101 18.110 775 HA GLU 95 HA GLU 95 -6.514 4.352 20.182 776 HB2 GLU 95 2HB GLU 95 -5.644 6.757 19.690 777 HB3 GLU 95 1HB GLU 95 -6.727 6.742 18.306 778 HG2 GLU 95 2HG GLU 95 -7.757 7.879 20.214 779 HG3 GLU 95 1HG GLU 95 -8.651 6.416 19.795 780 H ARG 96 H ARG 96 -6.160 4.164 16.694 781 HA ARG 96 HA ARG 96 -8.906 3.764 16.014 782 HB2 ARG 96 2HB ARG 96 -6.387 2.996 14.491 783 HB3 ARG 96 1HB ARG 96 -8.017 2.776 13.858 784 HG2 ARG 96 2HG ARG 96 -8.304 5.324 14.277 785 HG3 ARG 96 1HG ARG 96 -6.540 5.359 14.396 786 HD2 ARG 96 2HD ARG 96 -6.338 4.483 12.123 787 HD3 ARG 96 1HD ARG 96 -8.088 4.263 12.014 788 HE ARG 96 HE ARG 96 -6.607 6.786 11.903 789 HH11 ARG 96 1HH1 ARG 96 -9.764 5.227 11.872 790 HH12 ARG 96 2HH1 ARG 96 -10.559 6.618 11.207 791 HH21 ARG 96 1HH2 ARG 96 -7.649 8.551 10.980 792 HH22 ARG 96 2HH2 ARG 96 -9.358 8.503 10.701 793 H ALA 97 H ALA 97 -6.625 1.716 17.550 794 HA ALA 97 HA ALA 97 -7.613 -0.836 16.877 795 HB1 ALA 97 3HB ALA 97 -6.587 -1.594 18.991 796 HB2 ALA 97 1HB ALA 97 -6.384 0.084 19.498 797 HB3 ALA 97 2HB ALA 97 -5.506 -0.527 18.090 798 H SER 98 H SER 98 -8.805 1.643 19.044 799 HA SER 98 HA SER 98 -10.766 -0.031 20.347 800 HB2 SER 98 2HB SER 98 -9.665 1.883 21.514 801 HB3 SER 98 1HB SER 98 -10.428 3.000 20.385 802 HG SER 98 HG SER 98 -11.985 1.196 21.883 803 H GLU 99 H GLU 99 -10.659 1.479 17.292 804 HA GLU 99 HA GLU 99 -13.450 2.191 17.075 805 HB2 GLU 99 2HB GLU 99 -11.329 1.935 14.905 806 HB3 GLU 99 1HB GLU 99 -12.976 2.505 14.629 807 HG2 GLU 99 2HG GLU 99 -12.481 4.345 16.333 808 HG3 GLU 99 1HG GLU 99 -10.789 3.848 16.238 809 H TRP 100 H TRP 100 -11.474 -0.627 16.192 810 HA TRP 100 HA TRP 100 -13.835 -1.946 15.005 811 HB2 TRP 100 2HB TRP 100 -12.310 -3.651 14.138 812 HB3 TRP 100 1HB TRP 100 -11.748 -2.050 13.689 813 HD1 TRP 100 HD1 TRP 100 -9.551 -1.115 15.111 814 HE1 TRP 100 HE1 TRP 100 -7.565 -2.425 16.076 815 HE3 TRP 100 HE3 TRP 100 -11.591 -5.804 15.149 816 HZ2 TRP 100 HZ2 TRP 100 -6.927 -5.065 16.771 817 HZ3 TRP 100 HZ3 TRP 100 -10.222 -7.676 15.987 818 HH2 TRP 100 HH2 TRP 100 -7.937 -7.312 16.782 819 H ILE 101 H ILE 101 -12.219 -1.781 18.022 820 HA ILE 101 HA ILE 101 -13.642 -4.175 19.009 821 HB ILE 101 HB ILE 101 -11.815 -2.145 20.372 822 HG12 ILE 101 2HG1 ILE 101 -10.655 -4.227 21.213 823 HG13 ILE 101 1HG1 ILE 101 -11.824 -5.198 20.333 824 HG21 ILE 101 1HG2 ILE 101 -13.712 -2.301 21.909 825 HG22 ILE 101 2HG2 ILE 101 -12.318 -3.131 22.600 826 HG23 ILE 101 3HG2 ILE 101 -13.628 -4.063 21.869 827 HD11 ILE 101 3HD1 ILE 101 -9.738 -5.113 19.176 828 HD12 ILE 101 1HD1 ILE 101 -9.777 -3.353 19.159 829 HD13 ILE 101 2HD1 ILE 101 -10.968 -4.270 18.234 830 H ILE 102 H ILE 102 -15.786 -3.863 18.809 831 HA ILE 102 HA ILE 102 -17.034 -1.339 19.730 832 HB ILE 102 HB ILE 102 -18.272 -3.601 18.097 833 HG12 ILE 102 2HG1 ILE 102 -16.512 -2.365 16.819 834 HG13 ILE 102 1HG1 ILE 102 -18.116 -2.097 16.148 835 HG21 ILE 102 1HG2 ILE 102 -19.965 -2.400 19.412 836 HG22 ILE 102 2HG2 ILE 102 -20.151 -2.010 17.702 837 HG23 ILE 102 3HG2 ILE 102 -19.387 -0.853 18.795 838 HD11 ILE 102 3HD1 ILE 102 -16.540 -0.183 17.863 839 HD12 ILE 102 1HD1 ILE 102 -18.185 0.099 17.275 840 HD13 ILE 102 2HD1 ILE 102 -16.852 -0.063 16.134 841 H LEU 103 H LEU 103 -17.199 -1.550 21.898 842 HA LEU 103 HA LEU 103 -18.648 -3.879 23.038 843 HB2 LEU 103 2HB LEU 103 -16.590 -2.060 24.351 844 HB3 LEU 103 1HB LEU 103 -17.500 -3.301 25.197 845 HG LEU 103 HG LEU 103 -15.452 -3.796 22.992 846 HD11 LEU 103 1HD1 LEU 103 -14.393 -3.086 25.077 847 HD12 LEU 103 2HD1 LEU 103 -14.065 -4.787 24.759 848 HD13 LEU 103 3HD1 LEU 103 -15.265 -4.334 25.973 849 HD21 LEU 103 3HD2 LEU 103 -17.044 -5.803 24.625 850 HD22 LEU 103 1HD2 LEU 103 -15.723 -6.188 23.516 851 HD23 LEU 103 2HD2 LEU 103 -17.213 -5.487 22.895 852 H GLU 104 H GLU 104 -20.186 -3.465 24.617 853 HA GLU 104 HA GLU 104 -21.170 -0.710 24.980 854 HB2 GLU 104 2HB GLU 104 -23.553 -1.803 24.794 855 HB3 GLU 104 1HB GLU 104 -22.689 -1.365 23.329 856 HG2 GLU 104 2HG GLU 104 -22.035 -3.699 22.966 857 HG3 GLU 104 1HG GLU 104 -22.799 -4.173 24.484 Start of MODEL 8 1 H1 MET 1 1H MET 1 -11.454 -1.532 2.131 2 H2 MET 1 2H MET 1 -12.489 -0.844 0.990 3 H3 MET 1 3H MET 1 -11.488 0.147 1.928 4 HA MET 1 HA MET 1 -10.660 -0.093 -0.315 5 HB2 MET 1 2HB MET 1 -9.082 0.257 1.603 6 HB3 MET 1 1HB MET 1 -8.917 -1.487 1.776 7 HG2 MET 1 2HG MET 1 -6.987 -0.763 0.593 8 HG3 MET 1 1HG MET 1 -8.021 -1.508 -0.616 9 HE1 MET 1 3HE MET 1 -7.285 3.013 -0.150 10 HE2 MET 1 1HE MET 1 -6.437 1.754 0.750 11 HE3 MET 1 2HE MET 1 -8.140 2.087 1.083 12 H THR 2 H THR 2 -10.986 -1.388 -2.022 13 HA THR 2 HA THR 2 -10.667 -4.324 -1.823 14 HB THR 2 HB THR 2 -11.600 -4.390 -4.126 15 HG1 THR 2 HG1 THR 2 -12.453 -1.802 -4.264 16 HG21 THR 2 3HG2 THR 2 -13.245 -4.446 -2.286 17 HG22 THR 2 1HG2 THR 2 -13.893 -3.598 -3.695 18 HG23 THR 2 2HG2 THR 2 -13.327 -2.681 -2.299 19 H GLY 3 H GLY 3 -9.308 -5.334 -3.570 20 HA2 GLY 3 2HA GLY 3 -6.726 -4.259 -3.885 21 HA3 GLY 3 1HA GLY 3 -7.412 -5.561 -4.848 22 H GLN 4 H GLN 4 -9.583 -4.013 -5.892 23 HA GLN 4 HA GLN 4 -8.562 -2.743 -8.160 24 HB2 GLN 4 2HB GLN 4 -10.839 -3.548 -8.183 25 HB3 GLN 4 1HB GLN 4 -11.275 -2.555 -6.797 26 HG2 GLN 4 2HG GLN 4 -11.027 -0.523 -8.137 27 HG3 GLN 4 1HG GLN 4 -10.524 -1.474 -9.534 28 HE21 GLN 4 1HE2 GLN 4 -12.760 0.375 -9.273 29 HE22 GLN 4 2HE2 GLN 4 -14.188 -0.526 -9.645 30 H GLU 5 H GLU 5 -9.972 -1.274 -5.197 31 HA GLU 5 HA GLU 5 -9.582 1.432 -5.925 32 HB2 GLU 5 2HB GLU 5 -9.926 0.179 -3.168 33 HB3 GLU 5 1HB GLU 5 -9.986 1.915 -3.487 34 HG2 GLU 5 2HG GLU 5 -11.949 1.608 -4.924 35 HG3 GLU 5 1HG GLU 5 -11.872 -0.138 -4.671 36 H LEU 6 H LEU 6 -7.539 -0.857 -4.210 37 HA LEU 6 HA LEU 6 -5.604 0.962 -3.223 38 HB2 LEU 6 2HB LEU 6 -5.906 -1.374 -2.393 39 HB3 LEU 6 1HB LEU 6 -5.297 -1.987 -3.923 40 HG LEU 6 HG LEU 6 -3.068 -0.998 -3.456 41 HD11 LEU 6 1HD1 LEU 6 -4.226 -0.100 -0.798 42 HD12 LEU 6 2HD1 LEU 6 -3.717 0.948 -2.127 43 HD13 LEU 6 3HD1 LEU 6 -2.524 -0.025 -1.269 44 HD21 LEU 6 3HD2 LEU 6 -2.405 -2.496 -1.637 45 HD22 LEU 6 1HD2 LEU 6 -3.514 -3.292 -2.751 46 HD23 LEU 6 2HD2 LEU 6 -4.097 -2.719 -1.185 47 H ARG 7 H ARG 7 -5.793 -1.001 -6.213 48 HA ARG 7 HA ARG 7 -3.380 -0.108 -7.416 49 HB2 ARG 7 2HB ARG 7 -4.725 -2.136 -8.105 50 HB3 ARG 7 1HB ARG 7 -5.908 -1.065 -8.828 51 HG2 ARG 7 2HG ARG 7 -4.286 -0.291 -10.465 52 HG3 ARG 7 1HG ARG 7 -2.993 -1.183 -9.665 53 HD2 ARG 7 2HD ARG 7 -4.093 -3.317 -10.245 54 HD3 ARG 7 1HD ARG 7 -5.409 -2.432 -11.026 55 HE ARG 7 HE ARG 7 -3.223 -1.516 -12.341 56 HH11 ARG 7 1HH1 ARG 7 -4.346 -4.804 -11.692 57 HH12 ARG 7 2HH1 ARG 7 -3.647 -5.453 -13.142 58 HH21 ARG 7 1HH2 ARG 7 -2.355 -2.383 -14.257 59 HH22 ARG 7 2HH2 ARG 7 -2.519 -4.078 -14.594 60 H GLN 8 H GLN 8 -6.719 1.068 -7.524 61 HA GLN 8 HA GLN 8 -6.349 3.095 -9.497 62 HB2 GLN 8 2HB GLN 8 -8.552 2.673 -7.426 63 HB3 GLN 8 1HB GLN 8 -8.594 3.959 -8.627 64 HG2 GLN 8 2HG GLN 8 -8.555 0.991 -9.249 65 HG3 GLN 8 1HG GLN 8 -9.984 2.018 -9.255 66 HE21 GLN 8 1HE2 GLN 8 -6.963 1.326 -10.867 67 HE22 GLN 8 2HE2 GLN 8 -7.369 2.072 -12.369 68 H LEU 9 H LEU 9 -5.726 2.943 -6.076 69 HA LEU 9 HA LEU 9 -5.704 5.793 -5.600 70 HB2 LEU 9 2HB LEU 9 -6.127 4.061 -3.823 71 HB3 LEU 9 1HB LEU 9 -4.460 3.536 -3.967 72 HG LEU 9 HG LEU 9 -3.668 5.718 -3.106 73 HD11 LEU 9 1HD1 LEU 9 -6.592 6.489 -2.868 74 HD12 LEU 9 2HD1 LEU 9 -5.406 7.192 -3.972 75 HD13 LEU 9 3HD1 LEU 9 -5.221 7.407 -2.233 76 HD21 LEU 9 3HD2 LEU 9 -4.123 3.930 -1.485 77 HD22 LEU 9 1HD2 LEU 9 -5.789 4.490 -1.310 78 HD23 LEU 9 2HD2 LEU 9 -4.447 5.514 -0.788 79 H LEU 10 H LEU 10 -3.349 3.300 -6.429 80 HA LEU 10 HA LEU 10 -1.006 4.973 -6.259 81 HB2 LEU 10 2HB LEU 10 -1.346 2.295 -7.669 82 HB3 LEU 10 1HB LEU 10 0.174 3.024 -7.171 83 HG LEU 10 HG LEU 10 -1.993 2.035 -5.273 84 HD11 LEU 10 1HD1 LEU 10 -0.497 0.187 -4.720 85 HD12 LEU 10 2HD1 LEU 10 0.653 0.731 -5.945 86 HD13 LEU 10 3HD1 LEU 10 -0.948 0.162 -6.425 87 HD21 LEU 10 3HD2 LEU 10 -0.350 2.347 -3.482 88 HD22 LEU 10 1HD2 LEU 10 -0.736 3.868 -4.284 89 HD23 LEU 10 2HD2 LEU 10 0.788 3.050 -4.636 90 H LEU 11 H LEU 11 -3.262 3.990 -8.788 91 HA LEU 11 HA LEU 11 -1.780 5.047 -11.025 92 HB2 LEU 11 2HB LEU 11 -4.634 4.038 -10.718 93 HB3 LEU 11 1HB LEU 11 -4.028 4.668 -12.243 94 HG LEU 11 HG LEU 11 -2.862 2.254 -10.795 95 HD11 LEU 11 1HD1 LEU 11 -5.117 1.769 -11.628 96 HD12 LEU 11 2HD1 LEU 11 -3.894 0.883 -12.533 97 HD13 LEU 11 3HD1 LEU 11 -4.652 2.312 -13.243 98 HD21 LEU 11 3HD2 LEU 11 -2.266 3.357 -13.559 99 HD22 LEU 11 1HD2 LEU 11 -1.606 1.873 -12.865 100 HD23 LEU 11 2HD2 LEU 11 -1.199 3.431 -12.154 101 H ASP 12 H ASP 12 -4.602 6.141 -9.122 102 HA ASP 12 HA ASP 12 -5.098 8.532 -10.594 103 HB2 ASP 12 2HB ASP 12 -6.725 7.409 -8.998 104 HB3 ASP 12 1HB ASP 12 -5.769 8.020 -7.659 105 H LYS 13 H LYS 13 -2.956 7.772 -7.893 106 HA LYS 13 HA LYS 13 -2.267 10.533 -7.341 107 HB2 LYS 13 2HB LYS 13 -2.326 8.803 -5.536 108 HB3 LYS 13 1HB LYS 13 -0.991 7.959 -6.311 109 HG2 LYS 13 2HG LYS 13 -0.147 9.241 -4.438 110 HG3 LYS 13 1HG LYS 13 0.462 9.944 -5.939 111 HD2 LYS 13 2HD LYS 13 -1.311 11.694 -5.807 112 HD3 LYS 13 1HD LYS 13 -1.860 11.003 -4.274 113 HE2 LYS 13 2HE LYS 13 -0.420 12.969 -3.918 114 HE3 LYS 13 1HE LYS 13 0.327 11.514 -3.257 115 HZ1 LYS 13 3HZ LYS 13 0.980 12.696 -5.903 116 HZ2 LYS 13 1HZ LYS 13 1.763 11.395 -5.164 117 HZ3 LYS 13 2HZ LYS 13 1.878 12.939 -4.493 118 H TRP 14 H TRP 14 -0.288 7.701 -8.385 119 HA TRP 14 HA TRP 14 1.810 9.577 -9.300 120 HB2 TRP 14 2HB TRP 14 1.949 6.649 -8.488 121 HB3 TRP 14 1HB TRP 14 3.324 7.566 -9.098 122 HD1 TRP 14 HD1 TRP 14 3.706 9.981 -7.513 123 HE1 TRP 14 HE1 TRP 14 3.912 10.076 -4.956 124 HE3 TRP 14 HE3 TRP 14 1.408 5.561 -6.325 125 HZ2 TRP 14 HZ2 TRP 14 3.215 8.525 -2.735 126 HZ3 TRP 14 HZ3 TRP 14 1.236 4.949 -3.945 127 HH2 TRP 14 HH2 TRP 14 2.117 6.394 -2.188 128 H GLY 15 H GLY 15 -0.547 7.486 -10.617 129 HA2 GLY 15 2HA GLY 15 -1.018 7.142 -12.871 130 HA3 GLY 15 1HA GLY 15 0.561 7.768 -13.307 131 H TYR 16 H TYR 16 1.027 5.488 -10.944 132 HA TYR 16 HA TYR 16 1.454 3.264 -12.841 133 HB2 TYR 16 2HB TYR 16 3.517 4.432 -10.915 134 HB3 TYR 16 1HB TYR 16 3.700 2.868 -11.697 135 HD1 TYR 16 HD1 TYR 16 4.082 2.731 -14.154 136 HD2 TYR 16 HD2 TYR 16 3.929 6.511 -12.166 137 HE1 TYR 16 HE1 TYR 16 5.120 3.791 -16.105 138 HE2 TYR 16 HE2 TYR 16 4.974 7.572 -14.128 139 HH TYR 16 HH TYR 16 5.328 5.928 -17.144 140 H SER 17 H SER 17 0.936 1.310 -12.016 141 HA SER 17 HA SER 17 -0.199 1.139 -9.341 142 HB2 SER 17 2HB SER 17 -0.838 -1.197 -10.152 143 HB3 SER 17 1HB SER 17 -1.498 0.128 -11.109 144 HG SER 17 HG SER 17 0.848 -1.336 -11.762 145 H TYR 18 H TYR 18 1.507 1.173 -7.896 146 HA TYR 18 HA TYR 18 3.930 -0.367 -8.295 147 HB2 TYR 18 2HB TYR 18 3.026 1.340 -5.937 148 HB3 TYR 18 1HB TYR 18 4.623 0.617 -6.100 149 HD1 TYR 18 HD1 TYR 18 6.176 1.419 -7.920 150 HD2 TYR 18 HD2 TYR 18 2.483 3.388 -7.070 151 HE1 TYR 18 HE1 TYR 18 6.948 3.406 -9.139 152 HE2 TYR 18 HE2 TYR 18 3.255 5.349 -8.295 153 HH TYR 18 HH TYR 18 5.393 6.396 -8.983 154 H ASP 19 H ASP 19 4.775 -1.839 -6.767 155 HA ASP 19 HA ASP 19 2.972 -3.702 -5.510 156 HB2 ASP 19 2HB ASP 19 5.101 -4.470 -6.502 157 HB3 ASP 19 1HB ASP 19 6.019 -3.421 -5.435 158 H VAL 20 H VAL 20 2.536 -3.840 -3.320 159 HA VAL 20 HA VAL 20 3.716 -1.821 -1.491 160 HB VAL 20 HB VAL 20 1.423 -1.704 -0.352 161 HG11 VAL 20 1HG1 VAL 20 0.479 -0.026 -1.897 162 HG12 VAL 20 2HG1 VAL 20 1.548 -0.593 -3.184 163 HG13 VAL 20 3HG1 VAL 20 2.228 0.159 -1.740 164 HG21 VAL 20 3HG2 VAL 20 0.380 -3.705 -1.339 165 HG22 VAL 20 1HG2 VAL 20 0.434 -2.970 -2.942 166 HG23 VAL 20 2HG2 VAL 20 -0.593 -2.274 -1.682 167 H GLN 21 H GLN 21 4.561 -2.750 0.288 168 HA GLN 21 HA GLN 21 3.861 -5.567 0.938 169 HB2 GLN 21 2HB GLN 21 6.151 -5.982 1.595 170 HB3 GLN 21 1HB GLN 21 6.184 -5.274 -0.014 171 HG2 GLN 21 2HG GLN 21 6.915 -3.137 0.868 172 HG3 GLN 21 1HG GLN 21 6.705 -3.691 2.526 173 HE21 GLN 21 1HE2 GLN 21 9.106 -2.613 1.409 174 HE22 GLN 21 2HE2 GLN 21 10.314 -3.844 1.509 175 H PHE 22 H PHE 22 3.679 -6.132 3.106 176 HA PHE 22 HA PHE 22 3.231 -3.968 5.007 177 HB2 PHE 22 2HB PHE 22 2.795 -6.976 5.134 178 HB3 PHE 22 1HB PHE 22 2.636 -5.954 6.561 179 HD1 PHE 22 HD1 PHE 22 1.146 -3.746 6.141 180 HD2 PHE 22 HD2 PHE 22 0.799 -7.419 3.968 181 HE1 PHE 22 HE1 PHE 22 -1.170 -3.181 5.556 182 HE2 PHE 22 HE2 PHE 22 -1.507 -6.839 3.393 183 HZ PHE 22 HZ PHE 22 -2.496 -4.723 4.177 184 H ARG 23 H ARG 23 4.785 -3.202 6.224 185 HA ARG 23 HA ARG 23 7.166 -4.820 6.826 186 HB2 ARG 23 2HB ARG 23 7.539 -2.553 5.866 187 HB3 ARG 23 1HB ARG 23 6.709 -1.840 7.241 188 HG2 ARG 23 2HG ARG 23 9.125 -1.670 7.540 189 HG3 ARG 23 1HG ARG 23 8.448 -2.731 8.770 190 HD2 ARG 23 2HD ARG 23 9.149 -4.698 7.363 191 HD3 ARG 23 1HD ARG 23 9.930 -3.569 6.250 192 HE ARG 23 HE ARG 23 11.064 -2.925 8.614 193 HH11 ARG 23 1HH1 ARG 23 10.682 -6.032 6.970 194 HH12 ARG 23 2HH1 ARG 23 12.120 -6.710 7.657 195 HH21 ARG 23 1HH2 ARG 23 12.947 -3.845 9.512 196 HH22 ARG 23 2HH2 ARG 23 13.414 -5.468 9.104 197 H ARG 24 H ARG 24 7.025 -5.920 8.614 198 HA ARG 24 HA ARG 24 5.367 -5.040 10.899 199 HB2 ARG 24 2HB ARG 24 6.445 -7.842 10.332 200 HB3 ARG 24 1HB ARG 24 5.250 -7.391 11.544 201 HG2 ARG 24 2HG ARG 24 3.584 -6.977 9.859 202 HG3 ARG 24 1HG ARG 24 4.771 -7.126 8.559 203 HD2 ARG 24 2HD ARG 24 3.808 -9.344 10.403 204 HD3 ARG 24 1HD ARG 24 3.444 -9.168 8.685 205 HE ARG 24 HE ARG 24 5.946 -10.095 9.885 206 HH11 ARG 24 1HH1 ARG 24 4.292 -9.199 6.904 207 HH12 ARG 24 2HH1 ARG 24 5.454 -9.988 5.894 208 HH21 ARG 24 1HH2 ARG 24 7.461 -11.106 8.530 209 HH22 ARG 24 2HH2 ARG 24 7.244 -11.068 6.807 210 H THR 25 H THR 25 6.819 -3.751 11.980 211 HA THR 25 HA THR 25 9.159 -5.068 13.170 212 HB THR 25 HB THR 25 10.160 -3.904 11.268 213 HG1 THR 25 HG1 THR 25 11.696 -2.759 12.433 214 HG21 THR 25 3HG2 THR 25 10.079 -1.448 11.017 215 HG22 THR 25 1HG2 THR 25 8.918 -1.349 12.347 216 HG23 THR 25 2HG2 THR 25 8.475 -2.162 10.845 217 H GLN 26 H GLN 26 9.593 -4.460 15.196 218 HA GLN 26 HA GLN 26 9.318 -3.736 17.307 219 HB2 GLN 26 2HB GLN 26 8.228 -1.166 16.077 220 HB3 GLN 26 1HB GLN 26 8.836 -1.355 17.717 221 HG2 GLN 26 2HG GLN 26 10.429 -1.449 15.140 222 HG3 GLN 26 1HG GLN 26 10.514 -0.233 16.409 223 HE21 GLN 26 1HE2 GLN 26 11.548 -3.381 15.389 224 HE22 GLN 26 2HE2 GLN 26 12.684 -3.654 16.665 225 H GLY 27 H GLY 27 7.204 -5.221 15.971 226 HA2 GLY 27 2HA GLY 27 5.195 -6.141 16.628 227 HA3 GLY 27 1HA GLY 27 5.064 -4.937 17.895 228 H LYS 28 H LYS 28 5.641 -3.275 15.097 229 HA LYS 28 HA LYS 28 2.825 -2.410 14.957 230 HB2 LYS 28 2HB LYS 28 5.378 -1.023 14.007 231 HB3 LYS 28 1HB LYS 28 3.763 -0.310 14.059 232 HG2 LYS 28 2HG LYS 28 3.749 -0.356 16.472 233 HG3 LYS 28 1HG LYS 28 5.260 -1.274 16.510 234 HD2 LYS 28 2HD LYS 28 6.501 0.617 15.615 235 HD3 LYS 28 1HD LYS 28 5.011 1.534 15.359 236 HE2 LYS 28 2HE LYS 28 6.137 0.684 18.050 237 HE3 LYS 28 1HE LYS 28 6.170 2.314 17.372 238 HZ1 LYS 28 3HZ LYS 28 3.721 0.779 18.047 239 HZ2 LYS 28 1HZ LYS 28 3.757 2.342 17.403 240 HZ3 LYS 28 2HZ LYS 28 4.368 2.048 18.951 241 H ILE 29 H ILE 29 2.054 -1.654 12.816 242 HA ILE 29 HA ILE 29 3.116 -3.272 10.585 243 HB ILE 29 HB ILE 29 0.885 -4.062 11.423 244 HG12 ILE 29 2HG1 ILE 29 -0.219 -4.222 9.179 245 HG13 ILE 29 1HG1 ILE 29 0.878 -2.987 8.564 246 HG21 ILE 29 1HG2 ILE 29 -0.192 -1.405 10.443 247 HG22 ILE 29 2HG2 ILE 29 -0.101 -1.935 12.125 248 HG23 ILE 29 3HG2 ILE 29 -1.162 -2.775 10.992 249 HD11 ILE 29 3HD1 ILE 29 1.553 -5.258 7.934 250 HD12 ILE 29 1HD1 ILE 29 1.711 -5.688 9.635 251 HD13 ILE 29 2HD1 ILE 29 2.777 -4.471 8.926 252 H PHE 30 H PHE 30 3.621 -2.263 8.787 253 HA PHE 30 HA PHE 30 2.798 0.524 8.231 254 HB2 PHE 30 2HB PHE 30 5.586 -0.638 7.723 255 HB3 PHE 30 1HB PHE 30 5.070 0.998 7.354 256 HD1 PHE 30 HD2 PHE 30 5.916 -1.347 10.129 257 HD2 PHE 30 HD1 PHE 30 5.110 2.721 9.063 258 HE1 PHE 30 HE2 PHE 30 6.694 -0.610 12.342 259 HE2 PHE 30 HE1 PHE 30 5.894 3.444 11.283 260 HZ PHE 30 HZ PHE 30 6.683 1.784 12.923 261 H LEU 31 H LEU 31 2.970 1.000 5.868 262 HA LEU 31 HA LEU 31 2.922 -1.400 4.127 263 HB2 LEU 31 2HB LEU 31 0.590 -0.478 4.527 264 HB3 LEU 31 1HB LEU 31 1.102 1.030 3.781 265 HG LEU 31 HG LEU 31 1.605 -0.257 1.652 266 HD11 LEU 31 1HD1 LEU 31 0.706 -2.519 1.378 267 HD12 LEU 31 2HD1 LEU 31 0.273 -2.566 3.088 268 HD13 LEU 31 3HD1 LEU 31 1.968 -2.462 2.605 269 HD21 LEU 31 3HD2 LEU 31 -1.272 -0.452 2.598 270 HD22 LEU 31 1HD2 LEU 31 -0.719 -0.501 0.920 271 HD23 LEU 31 2HD2 LEU 31 -0.508 0.966 1.874 272 H GLN 32 H GLN 32 4.924 -1.163 3.255 273 HA GLN 32 HA GLN 32 5.911 1.432 2.359 274 HB2 GLN 32 2HB GLN 32 7.233 -1.318 2.294 275 HB3 GLN 32 1HB GLN 32 8.015 0.197 1.847 276 HG2 GLN 32 2HG GLN 32 7.591 1.022 4.191 277 HG3 GLN 32 1HG GLN 32 7.009 -0.590 4.599 278 HE21 GLN 32 1HE2 GLN 32 9.298 0.958 5.647 279 HE22 GLN 32 2HE2 GLN 32 10.690 -0.041 5.416 280 H VAL 33 H VAL 33 4.963 2.092 0.542 281 HA VAL 33 HA VAL 33 4.282 0.506 -1.722 282 HB VAL 33 HB VAL 33 4.818 3.522 -1.639 283 HG11 VAL 33 1HG1 VAL 33 3.191 1.892 -3.626 284 HG12 VAL 33 2HG1 VAL 33 4.755 2.650 -3.935 285 HG13 VAL 33 3HG1 VAL 33 3.339 3.653 -3.616 286 HG21 VAL 33 3HG2 VAL 33 2.178 2.079 -1.184 287 HG22 VAL 33 1HG2 VAL 33 2.393 3.829 -1.290 288 HG23 VAL 33 2HG2 VAL 33 3.120 2.929 0.043 289 H MET 34 H MET 34 5.917 -0.655 -2.583 290 HA MET 34 HA MET 34 8.628 0.065 -2.904 291 HB2 MET 34 2HB MET 34 6.944 -1.959 -4.441 292 HB3 MET 34 1HB MET 34 8.697 -1.872 -4.519 293 HG2 MET 34 2HG MET 34 7.336 -2.317 -1.868 294 HG3 MET 34 1HG MET 34 7.543 -3.651 -2.994 295 HE1 MET 34 3HE MET 34 9.182 -1.430 -0.299 296 HE2 MET 34 1HE MET 34 9.873 -0.608 -1.700 297 HE3 MET 34 2HE MET 34 10.909 -1.558 -0.634 298 H TRP 35 H TRP 35 9.781 0.519 -4.836 299 HA TRP 35 HA TRP 35 8.587 2.452 -6.605 300 HB2 TRP 35 2HB TRP 35 10.909 2.572 -7.571 301 HB3 TRP 35 1HB TRP 35 10.834 2.854 -5.838 302 HD1 TRP 35 HD1 TRP 35 12.249 0.384 -8.403 303 HE1 TRP 35 HE1 TRP 35 13.918 -1.174 -7.223 304 HE3 TRP 35 HE3 TRP 35 11.348 1.719 -3.533 305 HZ2 TRP 35 HZ2 TRP 35 14.754 -1.766 -4.605 306 HZ3 TRP 35 HZ3 TRP 35 12.629 0.601 -1.748 307 HH2 TRP 35 HH2 TRP 35 14.298 -1.108 -2.278 308 H LYS 36 H LYS 36 8.899 -0.924 -6.660 309 HA LYS 36 HA LYS 36 9.082 -1.302 -9.514 310 HB2 LYS 36 2HB LYS 36 8.259 -3.305 -7.363 311 HB3 LYS 36 1HB LYS 36 8.741 -3.675 -9.022 312 HG2 LYS 36 2HG LYS 36 11.014 -2.873 -8.593 313 HG3 LYS 36 1HG LYS 36 10.560 -2.399 -6.950 314 HD2 LYS 36 2HD LYS 36 10.055 -4.790 -6.433 315 HD3 LYS 36 1HD LYS 36 10.585 -5.240 -8.056 316 HE2 LYS 36 2HE LYS 36 12.853 -4.471 -7.556 317 HE3 LYS 36 1HE LYS 36 12.339 -3.904 -5.964 318 HZ1 LYS 36 3HZ LYS 36 13.424 -6.057 -5.835 319 HZ2 LYS 36 1HZ LYS 36 12.286 -6.729 -6.890 320 HZ3 LYS 36 2HZ LYS 36 11.805 -6.183 -5.362 321 H TYR 37 H TYR 37 7.410 -0.609 -10.695 322 HA TYR 37 HA TYR 37 4.644 -1.193 -9.838 323 HB2 TYR 37 2HB TYR 37 4.015 0.318 -11.789 324 HB3 TYR 37 1HB TYR 37 4.808 1.089 -10.432 325 HD1 TYR 37 HD2 TYR 37 5.391 -0.139 -13.907 326 HD2 TYR 37 HD1 TYR 37 6.815 2.383 -10.778 327 HE1 TYR 37 HE2 TYR 37 6.963 0.914 -15.465 328 HE2 TYR 37 HE1 TYR 37 8.386 3.447 -12.344 329 HH TYR 37 HH TYR 37 8.173 3.027 -15.714 330 H LEU 38 H LEU 38 3.142 -2.024 -11.512 331 HA LEU 38 HA LEU 38 4.030 -4.588 -12.259 332 HB2 LEU 38 2HB LEU 38 1.703 -4.085 -11.592 333 HB3 LEU 38 1HB LEU 38 1.473 -3.142 -13.055 334 HG LEU 38 HG LEU 38 1.825 -5.264 -14.408 335 HD11 LEU 38 1HD1 LEU 38 1.654 -7.445 -13.301 336 HD12 LEU 38 2HD1 LEU 38 1.720 -6.656 -11.721 337 HD13 LEU 38 3HD1 LEU 38 3.106 -6.572 -12.812 338 HD21 LEU 38 3HD2 LEU 38 -0.485 -5.365 -12.453 339 HD22 LEU 38 1HD2 LEU 38 -0.392 -6.197 -14.006 340 HD23 LEU 38 2HD2 LEU 38 -0.433 -4.438 -13.952 341 H GLU 39 H GLU 39 3.862 -1.632 -14.110 342 HA GLU 39 HA GLU 39 3.897 -2.683 -16.746 343 HB2 GLU 39 2HB GLU 39 3.274 -0.373 -16.251 344 HB3 GLU 39 1HB GLU 39 4.876 -0.030 -15.630 345 HG2 GLU 39 2HG GLU 39 5.790 -0.413 -17.939 346 HG3 GLU 39 1HG GLU 39 4.133 -0.589 -18.515 347 H GLN 40 H GLN 40 6.430 -2.327 -14.347 348 HA GLN 40 HA GLN 40 8.737 -2.660 -15.999 349 HB2 GLN 40 2HB GLN 40 8.273 -3.399 -13.071 350 HB3 GLN 40 1HB GLN 40 9.847 -3.463 -13.862 351 HG2 GLN 40 2HG GLN 40 9.803 -1.050 -14.221 352 HG3 GLN 40 1HG GLN 40 8.178 -0.957 -13.542 353 HE21 GLN 40 1HE2 GLN 40 8.915 0.529 -11.972 354 HE22 GLN 40 2HE2 GLN 40 9.848 0.032 -10.609 355 H ALA 41 H ALA 41 9.480 -4.449 -16.996 356 HA ALA 41 HA ALA 41 8.127 -6.971 -16.998 357 HB1 ALA 41 3HB ALA 41 10.838 -6.220 -18.164 358 HB2 ALA 41 1HB ALA 41 9.283 -6.067 -18.984 359 HB3 ALA 41 2HB ALA 41 9.901 -7.664 -18.566 360 H SER 42 H SER 42 10.592 -5.627 -15.033 361 HA SER 42 HA SER 42 11.750 -8.115 -14.080 362 HB2 SER 42 2HB SER 42 12.088 -5.255 -13.065 363 HB3 SER 42 1HB SER 42 13.103 -6.638 -12.641 364 HG SER 42 HG SER 42 13.652 -6.758 -14.898 365 H PHE 43 H PHE 43 8.781 -6.863 -13.565 366 HA PHE 43 HA PHE 43 8.546 -6.743 -10.743 367 HB2 PHE 43 2HB PHE 43 6.952 -5.780 -12.567 368 HB3 PHE 43 1HB PHE 43 6.250 -7.393 -12.638 369 HD1 PHE 43 HD1 PHE 43 6.948 -4.528 -10.391 370 HD2 PHE 43 HD2 PHE 43 4.640 -8.081 -10.969 371 HE1 PHE 43 HE1 PHE 43 5.572 -3.959 -8.457 372 HE2 PHE 43 HE2 PHE 43 3.265 -7.492 -9.021 373 HZ PHE 43 HZ PHE 43 3.741 -5.425 -7.761 374 HA PRO 44 HA PRO 44 9.057 -11.140 -10.137 375 HB2 PRO 44 2HB PRO 44 8.756 -11.312 -7.438 376 HB3 PRO 44 1HB PRO 44 10.127 -10.454 -8.176 377 HG2 PRO 44 2HG PRO 44 7.582 -9.313 -7.061 378 HG3 PRO 44 1HG PRO 44 9.255 -8.759 -6.824 379 HD2 PRO 44 2HD PRO 44 7.552 -7.606 -8.637 380 HD3 PRO 44 1HD PRO 44 9.316 -7.640 -8.856 381 H MET 45 H MET 45 6.010 -9.779 -10.044 382 HA MET 45 HA MET 45 4.694 -12.427 -9.782 383 HB2 MET 45 2HB MET 45 3.652 -9.736 -8.770 384 HB3 MET 45 1HB MET 45 2.645 -11.166 -8.924 385 HG2 MET 45 2HG MET 45 3.976 -12.323 -7.240 386 HG3 MET 45 1HG MET 45 5.076 -10.950 -7.134 387 HE1 MET 45 3HE MET 45 2.878 -8.202 -5.450 388 HE2 MET 45 1HE MET 45 3.122 -8.419 -7.184 389 HE3 MET 45 2HE MET 45 4.472 -8.629 -6.067 390 H ASN 46 H ASN 46 2.841 -12.700 -11.142 391 HA ASN 46 HA ASN 46 2.783 -11.219 -13.639 392 HB2 ASN 46 2HB ASN 46 1.216 -13.588 -12.552 393 HB3 ASN 46 1HB ASN 46 0.758 -12.812 -14.064 394 HD21 ASN 46 1HD2 ASN 46 3.263 -14.636 -12.445 395 HD22 ASN 46 2HD2 ASN 46 4.053 -15.184 -13.872 396 H GLU 47 H GLU 47 0.344 -10.719 -14.420 397 HA GLU 47 HA GLU 47 -0.459 -8.428 -12.957 398 HB2 GLU 47 2HB GLU 47 -1.934 -9.904 -15.175 399 HB3 GLU 47 1HB GLU 47 -2.316 -8.278 -14.605 400 HG2 GLU 47 2HG GLU 47 -0.057 -7.517 -15.335 401 HG3 GLU 47 1HG GLU 47 0.267 -9.140 -15.948 402 H THR 48 H THR 48 -1.887 -11.692 -13.209 403 HA THR 48 HA THR 48 -4.181 -11.123 -11.598 404 HB THR 48 HB THR 48 -2.990 -13.879 -12.171 405 HG1 THR 48 HG1 THR 48 -4.594 -13.776 -13.955 406 HG21 THR 48 3HG2 THR 48 -4.793 -13.896 -10.462 407 HG22 THR 48 1HG2 THR 48 -5.320 -14.677 -11.956 408 HG23 THR 48 2HG2 THR 48 -5.861 -13.042 -11.577 409 H GLU 49 H GLU 49 -0.984 -12.627 -10.922 410 HA GLU 49 HA GLU 49 -1.381 -13.241 -8.186 411 HB2 GLU 49 2HB GLU 49 1.223 -12.508 -9.602 412 HB3 GLU 49 1HB GLU 49 1.112 -13.216 -7.992 413 HG2 GLU 49 2HG GLU 49 0.026 -15.229 -9.004 414 HG3 GLU 49 1HG GLU 49 0.294 -14.524 -10.597 415 H TYR 50 H TYR 50 -0.370 -10.305 -9.834 416 HA TYR 50 HA TYR 50 0.390 -8.768 -7.573 417 HB2 TYR 50 2HB TYR 50 1.241 -8.073 -9.710 418 HB3 TYR 50 1HB TYR 50 -0.367 -8.024 -10.425 419 HD1 TYR 50 HD1 TYR 50 1.472 -6.421 -7.534 420 HD2 TYR 50 HD2 TYR 50 -1.234 -5.884 -10.801 421 HE1 TYR 50 HE1 TYR 50 1.297 -4.030 -7.000 422 HE2 TYR 50 HE2 TYR 50 -1.404 -3.496 -10.270 423 HH TYR 50 HH TYR 50 0.648 -1.949 -8.017 424 H GLN 51 H GLN 51 -2.692 -9.184 -9.332 425 HA GLN 51 HA GLN 51 -4.032 -7.098 -7.848 426 HB2 GLN 51 2HB GLN 51 -4.631 -7.666 -10.195 427 HB3 GLN 51 1HB GLN 51 -5.219 -9.238 -9.672 428 HG2 GLN 51 2HG GLN 51 -6.996 -7.464 -10.095 429 HG3 GLN 51 1HG GLN 51 -7.082 -8.275 -8.534 430 HE21 GLN 51 1HE2 GLN 51 -6.174 -5.251 -10.126 431 HE22 GLN 51 2HE2 GLN 51 -6.276 -4.278 -8.705 432 H GLU 52 H GLU 52 -3.768 -10.624 -7.590 433 HA GLU 52 HA GLU 52 -5.510 -11.020 -5.372 434 HB2 GLU 52 2HB GLU 52 -3.036 -12.522 -6.320 435 HB3 GLU 52 1HB GLU 52 -4.000 -13.059 -4.943 436 HG2 GLU 52 2HG GLU 52 -5.938 -13.398 -6.357 437 HG3 GLU 52 1HG GLU 52 -5.105 -12.700 -7.745 438 H HIS 53 H HIS 53 -2.152 -10.015 -5.681 439 HA HIS 53 HA HIS 53 -1.406 -10.015 -2.949 440 HB2 HIS 53 2HB HIS 53 0.300 -9.957 -4.692 441 HB3 HIS 53 1HB HIS 53 -0.337 -8.453 -5.343 442 HD1 HIS 53 HD1 HIS 53 1.416 -9.771 -2.254 443 HD2 HIS 53 HD2 HIS 53 0.822 -6.204 -4.298 444 HE1 HIS 53 HE1 HIS 53 2.862 -8.079 -1.105 445 HE2 HIS 53 HE2 HIS 53 2.706 -6.038 -2.554 446 H LEU 54 H LEU 54 -2.683 -7.495 -5.113 447 HA LEU 54 HA LEU 54 -2.719 -5.312 -3.350 448 HB2 LEU 54 2HB LEU 54 -4.482 -5.991 -5.728 449 HB3 LEU 54 1HB LEU 54 -4.576 -4.450 -4.889 450 HG LEU 54 HG LEU 54 -2.087 -5.463 -6.305 451 HD11 LEU 54 1HD1 LEU 54 -3.820 -5.141 -7.930 452 HD12 LEU 54 2HD1 LEU 54 -2.697 -3.789 -8.046 453 HD13 LEU 54 3HD1 LEU 54 -4.253 -3.577 -7.243 454 HD21 LEU 54 3HD2 LEU 54 -1.302 -3.134 -6.098 455 HD22 LEU 54 1HD2 LEU 54 -1.574 -3.860 -4.514 456 HD23 LEU 54 2HD2 LEU 54 -2.747 -2.717 -5.173 457 H ASP 55 H ASP 55 -5.183 -7.754 -4.120 458 HA ASP 55 HA ASP 55 -7.254 -6.595 -2.539 459 HB2 ASP 55 2HB ASP 55 -7.625 -8.076 -4.547 460 HB3 ASP 55 1HB ASP 55 -7.093 -9.458 -3.593 461 H SER 56 H SER 56 -4.816 -9.080 -1.936 462 HA SER 56 HA SER 56 -5.759 -9.951 0.601 463 HB2 SER 56 2HB SER 56 -4.112 -11.264 -0.691 464 HB3 SER 56 1HB SER 56 -2.915 -9.977 -0.511 465 HG SER 56 HG SER 56 -4.144 -11.195 1.726 466 H VAL 57 H VAL 57 -3.360 -7.516 -0.394 467 HA VAL 57 HA VAL 57 -2.652 -6.526 2.129 468 HB VAL 57 HB VAL 57 -2.607 -5.200 -0.620 469 HG11 VAL 57 1HG1 VAL 57 -1.481 -4.045 1.962 470 HG12 VAL 57 2HG1 VAL 57 -2.815 -3.382 1.019 471 HG13 VAL 57 3HG1 VAL 57 -1.187 -3.403 0.343 472 HG21 VAL 57 3HG2 VAL 57 -0.156 -5.533 -0.471 473 HG22 VAL 57 1HG2 VAL 57 -1.015 -7.068 -0.296 474 HG23 VAL 57 2HG2 VAL 57 -0.348 -6.263 1.126 475 H ALA 58 H ALA 58 -5.192 -5.592 -0.114 476 HA ALA 58 HA ALA 58 -6.216 -3.342 1.263 477 HB1 ALA 58 3HB ALA 58 -8.096 -3.542 -0.315 478 HB2 ALA 58 1HB ALA 58 -7.534 -5.150 -0.793 479 HB3 ALA 58 2HB ALA 58 -6.549 -3.727 -1.139 480 H ASN 59 H ASN 59 -6.915 -6.780 1.367 481 HA ASN 59 HA ASN 59 -9.277 -6.757 2.948 482 HB2 ASN 59 2HB ASN 59 -8.528 -8.715 1.580 483 HB3 ASN 59 1HB ASN 59 -7.150 -8.937 2.654 484 HD21 ASN 59 1HD2 ASN 59 -7.763 -11.012 3.247 485 HD22 ASN 59 2HD2 ASN 59 -9.140 -11.343 4.235 486 H TYR 60 H TYR 60 -5.804 -6.941 3.690 487 HA TYR 60 HA TYR 60 -6.080 -7.115 6.538 488 HB2 TYR 60 2HB TYR 60 -3.741 -6.430 4.724 489 HB3 TYR 60 1HB TYR 60 -3.596 -6.347 6.476 490 HD1 TYR 60 HD1 TYR 60 -4.625 -8.561 7.679 491 HD2 TYR 60 HD2 TYR 60 -2.891 -8.424 3.775 492 HE1 TYR 60 HE1 TYR 60 -4.089 -10.932 7.834 493 HE2 TYR 60 HE2 TYR 60 -2.359 -10.820 3.924 494 HH TYR 60 HH TYR 60 -2.024 -12.543 5.624 495 H LEU 61 H LEU 61 -5.763 -4.440 4.245 496 HA LEU 61 HA LEU 61 -5.262 -2.370 6.113 497 HB2 LEU 61 2HB LEU 61 -6.555 -2.269 3.355 498 HB3 LEU 61 1HB LEU 61 -6.126 -0.843 4.281 499 HG LEU 61 HG LEU 61 -4.200 -2.893 3.135 500 HD11 LEU 61 1HD1 LEU 61 -3.387 -1.068 1.727 501 HD12 LEU 61 2HD1 LEU 61 -4.599 0.020 2.409 502 HD13 LEU 61 3HD1 LEU 61 -5.101 -1.374 1.449 503 HD21 LEU 61 3HD2 LEU 61 -3.328 -2.160 5.281 504 HD22 LEU 61 1HD2 LEU 61 -3.555 -0.466 4.835 505 HD23 LEU 61 2HD2 LEU 61 -2.375 -1.462 3.977 506 H HIS 62 H HIS 62 -8.240 -3.677 4.708 507 HA HIS 62 HA HIS 62 -10.103 -2.070 6.127 508 HB2 HIS 62 2HB HIS 62 -10.655 -3.339 4.061 509 HB3 HIS 62 1HB HIS 62 -10.418 -4.856 4.920 510 HD1 HIS 62 HD1 HIS 62 -12.857 -5.518 4.304 511 HD2 HIS 62 HD2 HIS 62 -12.603 -2.126 6.689 512 HE1 HIS 62 HE1 HIS 62 -15.190 -5.097 5.128 513 HE2 HIS 62 HE2 HIS 62 -15.031 -2.918 6.372 514 H ALA 63 H ALA 63 -8.692 -5.286 6.767 515 HA ALA 63 HA ALA 63 -10.260 -6.066 8.964 516 HB1 ALA 63 3HB ALA 63 -8.489 -7.722 9.405 517 HB2 ALA 63 1HB ALA 63 -7.389 -6.846 8.329 518 HB3 ALA 63 2HB ALA 63 -8.837 -7.616 7.681 519 H LEU 64 H LEU 64 -7.118 -4.442 8.865 520 HA LEU 64 HA LEU 64 -6.862 -4.264 11.745 521 HB2 LEU 64 2HB LEU 64 -5.118 -3.137 9.511 522 HB3 LEU 64 1HB LEU 64 -4.680 -3.204 11.209 523 HG LEU 64 HG LEU 64 -5.163 -5.656 9.465 524 HD11 LEU 64 1HD1 LEU 64 -3.164 -4.469 8.704 525 HD12 LEU 64 2HD1 LEU 64 -2.746 -6.007 9.455 526 HD13 LEU 64 3HD1 LEU 64 -2.499 -4.493 10.340 527 HD21 LEU 64 3HD2 LEU 64 -4.165 -6.932 11.306 528 HD22 LEU 64 1HD2 LEU 64 -5.630 -6.096 11.815 529 HD23 LEU 64 2HD2 LEU 64 -4.049 -5.462 12.278 530 H GLY 65 H GLY 65 -8.198 -2.315 9.225 531 HA2 GLY 65 2HA GLY 65 -9.488 -0.381 9.477 532 HA3 GLY 65 1HA GLY 65 -8.772 -0.091 11.054 533 H GLY 66 H GLY 66 -6.369 -0.808 8.810 534 HA2 GLY 66 2HA GLY 66 -5.364 1.920 8.827 535 HA3 GLY 66 1HA GLY 66 -4.527 0.487 8.256 536 H ALA 67 H ALA 67 -7.539 0.486 6.819 537 HA ALA 67 HA ALA 67 -6.622 0.942 4.207 538 HB1 ALA 67 3HB ALA 67 -9.469 1.054 5.254 539 HB2 ALA 67 1HB ALA 67 -8.610 -0.400 4.741 540 HB3 ALA 67 2HB ALA 67 -8.994 0.856 3.563 541 H VAL 68 H VAL 68 -8.551 3.021 6.338 542 HA VAL 68 HA VAL 68 -8.730 5.247 4.576 543 HB VAL 68 HB VAL 68 -9.010 5.239 7.626 544 HG11 VAL 68 1HG1 VAL 68 -10.437 7.236 7.309 545 HG12 VAL 68 2HG1 VAL 68 -10.126 7.188 5.572 546 HG13 VAL 68 3HG1 VAL 68 -8.804 7.512 6.694 547 HG21 VAL 68 3HG2 VAL 68 -11.435 4.902 7.283 548 HG22 VAL 68 1HG2 VAL 68 -10.509 3.552 6.618 549 HG23 VAL 68 2HG2 VAL 68 -11.180 4.779 5.540 550 H GLN 69 H GLN 69 -6.417 4.243 7.068 551 HA GLN 69 HA GLN 69 -4.960 6.654 7.354 552 HB2 GLN 69 2HB GLN 69 -4.108 3.764 7.806 553 HB3 GLN 69 1HB GLN 69 -3.126 5.149 8.264 554 HG2 GLN 69 2HG GLN 69 -5.913 4.633 9.336 555 HG3 GLN 69 1HG GLN 69 -4.434 4.097 10.130 556 HE21 GLN 69 1HE2 GLN 69 -4.825 5.312 11.970 557 HE22 GLN 69 2HE2 GLN 69 -4.680 7.030 12.017 558 H VAL 70 H VAL 70 -4.544 3.902 5.141 559 HA VAL 70 HA VAL 70 -2.166 4.729 3.839 560 HB VAL 70 HB VAL 70 -4.459 2.956 2.865 561 HG11 VAL 70 1HG1 VAL 70 -1.731 3.320 1.562 562 HG12 VAL 70 2HG1 VAL 70 -3.279 3.816 0.881 563 HG13 VAL 70 3HG1 VAL 70 -2.928 2.103 1.108 564 HG21 VAL 70 3HG2 VAL 70 -3.246 2.088 4.818 565 HG22 VAL 70 1HG2 VAL 70 -1.714 2.255 3.959 566 HG23 VAL 70 2HG2 VAL 70 -2.922 1.097 3.393 567 H LYS 71 H LYS 71 -5.613 5.218 3.081 568 HA LYS 71 HA LYS 71 -5.366 6.701 0.717 569 HB2 LYS 71 2HB LYS 71 -7.539 6.810 2.854 570 HB3 LYS 71 1HB LYS 71 -7.666 7.589 1.279 571 HG2 LYS 71 2HG LYS 71 -7.413 5.350 0.196 572 HG3 LYS 71 1HG LYS 71 -7.423 4.616 1.802 573 HD2 LYS 71 2HD LYS 71 -9.646 4.451 0.797 574 HD3 LYS 71 1HD LYS 71 -9.700 5.524 2.197 575 HE2 LYS 71 2HE LYS 71 -9.688 7.486 0.722 576 HE3 LYS 71 1HE LYS 71 -9.529 6.447 -0.695 577 HZ1 LYS 71 3HZ LYS 71 -11.683 5.575 -0.346 578 HZ2 LYS 71 1HZ LYS 71 -11.817 7.254 -0.237 579 HZ3 LYS 71 2HZ LYS 71 -11.836 6.314 1.167 580 H THR 72 H THR 72 -5.643 7.826 4.076 581 HA THR 72 HA THR 72 -5.762 10.590 3.621 582 HB THR 72 HB THR 72 -4.761 9.119 6.109 583 HG1 THR 72 HG1 THR 72 -7.062 8.876 5.050 584 HG21 THR 72 3HG2 THR 72 -5.467 11.108 7.370 585 HG22 THR 72 1HG2 THR 72 -5.973 11.904 5.883 586 HG23 THR 72 2HG2 THR 72 -4.261 11.570 6.162 587 H PHE 73 H PHE 73 -3.047 8.400 4.241 588 HA PHE 73 HA PHE 73 -1.001 10.350 4.449 589 HB2 PHE 73 2HB PHE 73 -0.826 7.947 5.240 590 HB3 PHE 73 1HB PHE 73 -0.692 7.442 3.560 591 HD1 PHE 73 HD1 PHE 73 1.387 7.954 2.256 592 HD2 PHE 73 HD2 PHE 73 1.024 9.051 6.379 593 HE1 PHE 73 HE1 PHE 73 3.809 8.352 2.373 594 HE2 PHE 73 HE2 PHE 73 3.446 9.438 6.476 595 HZ PHE 73 HZ PHE 73 4.841 9.094 4.478 596 H ILE 74 H ILE 74 -2.010 8.220 1.737 597 HA ILE 74 HA ILE 74 -0.116 9.164 -0.140 598 HB ILE 74 HB ILE 74 -2.676 7.552 -0.507 599 HG12 ILE 74 2HG1 ILE 74 0.293 6.819 -0.539 600 HG13 ILE 74 1HG1 ILE 74 -0.887 6.374 0.687 601 HG21 ILE 74 1HG2 ILE 74 -1.984 7.046 -2.825 602 HG22 ILE 74 2HG2 ILE 74 -0.634 8.171 -2.673 603 HG23 ILE 74 3HG2 ILE 74 -2.290 8.773 -2.618 604 HD11 ILE 74 3HD1 ILE 74 -0.370 4.482 -0.683 605 HD12 ILE 74 1HD1 ILE 74 -0.778 5.365 -2.154 606 HD13 ILE 74 2HD1 ILE 74 -2.037 4.966 -0.982 607 H THR 75 H THR 75 -3.364 10.276 0.641 608 HA THR 75 HA THR 75 -3.814 11.952 -1.612 609 HB THR 75 HB THR 75 -4.997 12.161 1.203 610 HG1 THR 75 HG1 THR 75 -5.284 10.182 -0.240 611 HG21 THR 75 3HG2 THR 75 -6.865 13.386 0.173 612 HG22 THR 75 1HG2 THR 75 -6.086 13.291 -1.406 613 HG23 THR 75 2HG2 THR 75 -5.355 14.253 -0.119 614 H GLN 76 H GLN 76 -2.365 12.503 1.592 615 HA GLN 76 HA GLN 76 -2.028 15.364 1.157 616 HB2 GLN 76 2HB GLN 76 -1.207 13.593 3.499 617 HB3 GLN 76 1HB GLN 76 -1.049 15.349 3.463 618 HG2 GLN 76 2HG GLN 76 -3.514 15.550 3.262 619 HG3 GLN 76 1HG GLN 76 -3.650 13.792 3.334 620 HE21 GLN 76 1HE2 GLN 76 -3.076 12.732 5.295 621 HE22 GLN 76 2HE2 GLN 76 -3.114 13.572 6.807 622 H THR 77 H THR 77 -0.043 12.484 0.854 623 HA THR 77 HA THR 77 2.474 13.778 1.329 624 HB THR 77 HB THR 77 2.145 11.302 1.719 625 HG1 THR 77 HG1 THR 77 4.242 11.360 1.616 626 HG21 THR 77 3HG2 THR 77 2.388 11.049 -1.306 627 HG22 THR 77 1HG2 THR 77 0.936 10.696 -0.368 628 HG23 THR 77 2HG2 THR 77 2.389 9.723 -0.141 629 H LYS 78 H LYS 78 4.061 14.300 -0.106 630 HA LYS 78 HA LYS 78 3.361 14.595 -2.973 631 HB2 LYS 78 2HB LYS 78 5.024 16.460 -2.981 632 HB3 LYS 78 1HB LYS 78 3.661 16.765 -1.911 633 HG2 LYS 78 2HG LYS 78 5.024 16.181 0.040 634 HG3 LYS 78 1HG LYS 78 6.390 15.793 -1.010 635 HD2 LYS 78 2HD LYS 78 6.515 18.149 -1.740 636 HD3 LYS 78 1HD LYS 78 5.120 18.549 -0.725 637 HE2 LYS 78 2HE LYS 78 7.306 19.159 0.322 638 HE3 LYS 78 1HE LYS 78 6.376 18.018 1.291 639 HZ1 LYS 78 3HZ LYS 78 7.759 16.226 0.486 640 HZ2 LYS 78 1HZ LYS 78 8.734 17.434 1.160 641 HZ3 LYS 78 2HZ LYS 78 8.618 17.282 -0.519 642 H GLU 79 H GLU 79 4.910 12.544 -1.008 643 HA GLU 79 HA GLU 79 7.490 12.323 -2.328 644 HB2 GLU 79 2HB GLU 79 6.217 10.466 -0.268 645 HB3 GLU 79 1HB GLU 79 7.906 10.457 -0.773 646 HG2 GLU 79 2HG GLU 79 6.467 12.591 0.822 647 HG3 GLU 79 1HG GLU 79 7.765 11.533 1.370 648 H ARG 80 H ARG 80 8.140 10.730 -3.665 649 HA ARG 80 HA ARG 80 6.133 8.877 -4.816 650 HB2 ARG 80 2HB ARG 80 8.506 10.228 -6.188 651 HB3 ARG 80 1HB ARG 80 7.569 8.923 -6.910 652 HG2 ARG 80 2HG ARG 80 5.525 10.403 -6.678 653 HG3 ARG 80 1HG ARG 80 6.611 11.712 -6.231 654 HD2 ARG 80 2HD ARG 80 5.983 11.800 -8.621 655 HD3 ARG 80 1HD ARG 80 7.721 11.564 -8.417 656 HE ARG 80 HE ARG 80 7.136 9.091 -8.768 657 HH11 ARG 80 1HH1 ARG 80 5.430 11.693 -10.412 658 HH12 ARG 80 2HH1 ARG 80 5.015 10.713 -11.780 659 HH21 ARG 80 1HH2 ARG 80 6.602 7.829 -10.582 660 HH22 ARG 80 2HH2 ARG 80 5.679 8.526 -11.874 661 HA PRO 81 HA PRO 81 9.072 5.626 -3.568 662 HB2 PRO 81 2HB PRO 81 8.064 3.552 -5.071 663 HB3 PRO 81 1HB PRO 81 7.263 4.140 -3.609 664 HG2 PRO 81 2HG PRO 81 6.587 4.695 -6.461 665 HG3 PRO 81 1HG PRO 81 5.506 4.400 -5.083 666 HD2 PRO 81 2HD PRO 81 6.050 6.915 -6.075 667 HD3 PRO 81 1HD PRO 81 5.575 6.601 -4.391 668 H ARG 82 H ARG 82 11.109 5.684 -4.330 669 HA ARG 82 HA ARG 82 11.662 5.606 -7.251 670 HB2 ARG 82 2HB ARG 82 12.013 7.885 -6.078 671 HB3 ARG 82 1HB ARG 82 13.347 7.131 -5.209 672 HG2 ARG 82 2HG ARG 82 14.380 6.589 -7.461 673 HG3 ARG 82 1HG ARG 82 13.106 7.556 -8.208 674 HD2 ARG 82 2HD ARG 82 15.108 8.900 -8.002 675 HD3 ARG 82 1HD ARG 82 13.890 9.526 -6.891 676 HE ARG 82 HE ARG 82 15.228 8.959 -5.117 677 HH11 ARG 82 1HH1 ARG 82 16.557 7.365 -7.987 678 HH12 ARG 82 2HH1 ARG 82 18.010 6.881 -7.172 679 HH21 ARG 82 1HH2 ARG 82 17.144 8.313 -4.100 680 HH22 ARG 82 2HH2 ARG 82 18.336 7.418 -4.981 681 H LEU 83 H LEU 83 13.930 4.801 -7.711 682 HA LEU 83 HA LEU 83 14.407 2.275 -6.690 683 HB2 LEU 83 2HB LEU 83 15.258 3.065 -8.858 684 HB3 LEU 83 1HB LEU 83 16.339 4.187 -8.045 685 HG LEU 83 HG LEU 83 17.584 2.235 -7.066 686 HD11 LEU 83 1HD1 LEU 83 15.824 0.530 -8.846 687 HD12 LEU 83 2HD1 LEU 83 15.822 0.557 -7.081 688 HD13 LEU 83 3HD1 LEU 83 17.240 -0.026 -7.948 689 HD21 LEU 83 3HD2 LEU 83 17.446 2.258 -10.093 690 HD22 LEU 83 1HD2 LEU 83 18.763 1.599 -9.119 691 HD23 LEU 83 2HD2 LEU 83 18.419 3.326 -9.081 692 H GLY 84 H GLY 84 14.764 1.873 -4.595 693 HA2 GLY 84 2HA GLY 84 16.434 1.523 -2.901 694 HA3 GLY 84 1HA GLY 84 17.037 3.150 -3.178 695 H LYS 85 H LYS 85 14.184 4.177 -3.293 696 HA LYS 85 HA LYS 85 13.690 4.301 -0.369 697 HB2 LYS 85 2HB LYS 85 14.529 6.435 -1.470 698 HB3 LYS 85 1HB LYS 85 13.063 6.461 -2.442 699 HG2 LYS 85 2HG LYS 85 12.740 7.980 -0.598 700 HG3 LYS 85 1HG LYS 85 11.721 6.565 -0.297 701 HD2 LYS 85 2HD LYS 85 13.533 5.662 1.212 702 HD3 LYS 85 1HD LYS 85 14.421 7.172 0.986 703 HE2 LYS 85 2HE LYS 85 13.236 7.271 3.089 704 HE3 LYS 85 1HE LYS 85 12.455 8.393 1.973 705 HZ1 LYS 85 3HZ LYS 85 10.720 6.787 1.589 706 HZ2 LYS 85 1HZ LYS 85 10.876 7.041 3.252 707 HZ3 LYS 85 2HZ LYS 85 11.497 5.640 2.551 708 H ALA 86 H ALA 86 11.867 3.282 0.195 709 HA ALA 86 HA ALA 86 9.518 3.108 -1.574 710 HB1 ALA 86 3HB ALA 86 10.261 1.074 -0.373 711 HB2 ALA 86 1HB ALA 86 8.642 1.557 0.135 712 HB3 ALA 86 2HB ALA 86 10.033 1.892 1.173 713 H VAL 87 H VAL 87 7.407 3.800 -0.793 714 HA VAL 87 HA VAL 87 7.425 6.066 1.082 715 HB VAL 87 HB VAL 87 5.125 4.941 -0.602 716 HG11 VAL 87 1HG1 VAL 87 4.266 6.138 1.367 717 HG12 VAL 87 2HG1 VAL 87 3.926 7.043 -0.108 718 HG13 VAL 87 3HG1 VAL 87 5.241 7.551 0.954 719 HG21 VAL 87 3HG2 VAL 87 6.896 5.864 -2.030 720 HG22 VAL 87 1HG2 VAL 87 6.863 7.381 -1.126 721 HG23 VAL 87 2HG2 VAL 87 5.463 6.890 -2.084 722 H SER 88 H SER 88 7.817 5.015 3.018 723 HA SER 88 HA SER 88 6.340 2.734 3.964 724 HB2 SER 88 2HB SER 88 8.719 3.161 4.608 725 HB3 SER 88 1HB SER 88 8.222 4.612 5.478 726 HG SER 88 HG SER 88 7.303 3.397 7.009 727 H ILE 89 H ILE 89 4.211 3.139 4.214 728 HA ILE 89 HA ILE 89 3.136 5.557 5.437 729 HB ILE 89 HB ILE 89 1.716 3.024 4.477 730 HG12 ILE 89 2HG1 ILE 89 2.044 5.688 3.019 731 HG13 ILE 89 1HG1 ILE 89 2.950 4.225 2.656 732 HG21 ILE 89 1HG2 ILE 89 0.528 5.740 5.166 733 HG22 ILE 89 2HG2 ILE 89 0.344 4.258 6.106 734 HG23 ILE 89 3HG2 ILE 89 -0.359 4.370 4.492 735 HD11 ILE 89 3HD1 ILE 89 1.188 4.534 1.063 736 HD12 ILE 89 1HD1 ILE 89 -0.025 4.601 2.344 737 HD13 ILE 89 2HD1 ILE 89 0.860 3.102 2.037 738 HA PRO 90 HA PRO 90 3.189 3.294 9.462 739 HB2 PRO 90 2HB PRO 90 2.848 5.475 11.090 740 HB3 PRO 90 1HB PRO 90 4.419 5.070 10.366 741 HG2 PRO 90 2HG PRO 90 2.429 7.136 9.506 742 HG3 PRO 90 1HG PRO 90 4.203 7.236 9.561 743 HD2 PRO 90 2HD PRO 90 2.776 6.744 7.249 744 HD3 PRO 90 1HD PRO 90 4.454 6.225 7.503 745 H LEU 91 H LEU 91 1.344 2.148 9.740 746 HA LEU 91 HA LEU 91 -1.294 3.364 9.536 747 HB2 LEU 91 2HB LEU 91 -0.507 0.503 10.233 748 HB3 LEU 91 1HB LEU 91 -2.137 1.064 9.881 749 HG LEU 91 HG LEU 91 0.194 0.887 7.925 750 HD11 LEU 91 1HD1 LEU 91 -0.848 -1.263 8.391 751 HD12 LEU 91 2HD1 LEU 91 -1.209 -0.745 6.746 752 HD13 LEU 91 3HD1 LEU 91 -2.442 -0.608 8.004 753 HD21 LEU 91 3HD2 LEU 91 -2.584 2.005 7.421 754 HD22 LEU 91 1HD2 LEU 91 -1.361 1.681 6.186 755 HD23 LEU 91 2HD2 LEU 91 -1.064 2.906 7.413 756 H ASP 92 H ASP 92 -1.586 4.707 11.210 757 HA ASP 92 HA ASP 92 -0.862 4.134 13.940 758 HB2 ASP 92 2HB ASP 92 -0.791 6.440 13.146 759 HB3 ASP 92 1HB ASP 92 -2.487 6.386 12.681 760 H LEU 93 H LEU 93 -1.934 2.352 14.669 761 HA LEU 93 HA LEU 93 -4.904 2.259 14.533 762 HB2 LEU 93 2HB LEU 93 -2.932 -0.065 14.518 763 HB3 LEU 93 1HB LEU 93 -4.683 -0.208 14.450 764 HG LEU 93 HG LEU 93 -2.918 1.026 12.293 765 HD11 LEU 93 1HD1 LEU 93 -4.433 -1.596 12.292 766 HD12 LEU 93 2HD1 LEU 93 -2.681 -1.400 12.412 767 HD13 LEU 93 3HD1 LEU 93 -3.518 -0.914 10.941 768 HD21 LEU 93 3HD2 LEU 93 -5.924 0.588 12.290 769 HD22 LEU 93 1HD2 LEU 93 -4.954 1.140 10.919 770 HD23 LEU 93 2HD2 LEU 93 -5.092 2.145 12.356 771 H GLY 94 H GLY 94 -3.102 3.397 16.656 772 HA2 GLY 94 2HA GLY 94 -3.144 1.665 18.936 773 HA3 GLY 94 1HA GLY 94 -2.891 3.403 18.951 774 H GLU 95 H GLU 95 -4.542 4.730 19.559 775 HA GLU 95 HA GLU 95 -6.778 3.787 20.977 776 HB2 GLU 95 2HB GLU 95 -5.743 5.985 21.397 777 HB3 GLU 95 1HB GLU 95 -6.220 6.551 19.799 778 HG2 GLU 95 2HG GLU 95 -8.615 6.301 20.473 779 HG3 GLU 95 1HG GLU 95 -8.086 5.848 22.092 780 H ARG 96 H ARG 96 -6.390 4.820 17.624 781 HA ARG 96 HA ARG 96 -9.058 5.349 16.953 782 HB2 ARG 96 2HB ARG 96 -6.787 4.439 15.144 783 HB3 ARG 96 1HB ARG 96 -8.336 5.052 14.568 784 HG2 ARG 96 2HG ARG 96 -7.854 7.225 15.717 785 HG3 ARG 96 1HG ARG 96 -6.256 6.600 16.146 786 HD2 ARG 96 2HD ARG 96 -5.826 6.240 13.689 787 HD3 ARG 96 1HD ARG 96 -7.355 7.056 13.353 788 HE ARG 96 HE ARG 96 -5.176 8.396 14.826 789 HH11 ARG 96 1HH1 ARG 96 -7.383 8.356 12.083 790 HH12 ARG 96 2HH1 ARG 96 -6.956 9.955 11.564 791 HH21 ARG 96 1HH2 ARG 96 -4.595 10.460 14.114 792 HH22 ARG 96 2HH2 ARG 96 -5.367 11.148 12.723 793 H ALA 97 H ALA 97 -7.261 2.266 16.861 794 HA ALA 97 HA ALA 97 -9.062 0.791 15.262 795 HB1 ALA 97 3HB ALA 97 -7.180 -0.273 17.387 796 HB2 ALA 97 1HB ALA 97 -6.767 0.040 15.701 797 HB3 ALA 97 2HB ALA 97 -7.941 -1.217 16.101 798 H SER 98 H SER 98 -9.264 1.709 18.624 799 HA SER 98 HA SER 98 -11.016 -0.350 19.516 800 HB2 SER 98 2HB SER 98 -9.580 1.024 21.045 801 HB3 SER 98 1HB SER 98 -10.610 2.419 20.731 802 HG SER 98 HG SER 98 -12.100 0.286 21.489 803 H GLU 99 H GLU 99 -11.637 2.231 17.421 804 HA GLU 99 HA GLU 99 -14.289 2.956 17.943 805 HB2 GLU 99 2HB GLU 99 -14.449 3.589 15.568 806 HB3 GLU 99 1HB GLU 99 -12.873 4.049 16.209 807 HG2 GLU 99 2HG GLU 99 -11.862 2.039 15.155 808 HG3 GLU 99 1HG GLU 99 -13.435 1.604 14.496 809 H TRP 100 H TRP 100 -13.011 0.010 16.380 810 HA TRP 100 HA TRP 100 -15.763 -0.986 15.975 811 HB2 TRP 100 2HB TRP 100 -14.801 -2.630 14.394 812 HB3 TRP 100 1HB TRP 100 -14.496 -0.968 13.919 813 HD1 TRP 100 HD1 TRP 100 -11.899 -0.113 14.060 814 HE1 TRP 100 HE1 TRP 100 -9.690 -1.422 13.943 815 HE3 TRP 100 HE3 TRP 100 -13.684 -4.804 15.036 816 HZ2 TRP 100 HZ2 TRP 100 -8.814 -4.084 14.213 817 HZ3 TRP 100 HZ3 TRP 100 -12.094 -6.683 15.085 818 HH2 TRP 100 HH2 TRP 100 -9.708 -6.331 14.682 819 H ILE 101 H ILE 101 -13.267 -1.289 18.222 820 HA ILE 101 HA ILE 101 -14.240 -3.907 19.167 821 HB ILE 101 HB ILE 101 -12.057 -2.078 20.307 822 HG12 ILE 101 2HG1 ILE 101 -10.608 -4.185 19.924 823 HG13 ILE 101 1HG1 ILE 101 -11.954 -4.838 19.005 824 HG21 ILE 101 1HG2 ILE 101 -13.065 -4.697 21.493 825 HG22 ILE 101 2HG2 ILE 101 -13.251 -3.094 22.207 826 HG23 ILE 101 3HG2 ILE 101 -11.645 -3.805 22.046 827 HD11 ILE 101 3HD1 ILE 101 -11.730 -3.009 17.403 828 HD12 ILE 101 1HD1 ILE 101 -10.234 -3.928 17.570 829 HD13 ILE 101 2HD1 ILE 101 -10.390 -2.353 18.345 830 H ILE 102 H ILE 102 -16.320 -3.591 19.811 831 HA ILE 102 HA ILE 102 -17.038 -1.335 21.597 832 HB ILE 102 HB ILE 102 -18.916 -3.177 20.036 833 HG12 ILE 102 2HG1 ILE 102 -17.498 -1.813 18.482 834 HG13 ILE 102 1HG1 ILE 102 -19.201 -1.389 18.377 835 HG21 ILE 102 1HG2 ILE 102 -19.991 -2.155 21.993 836 HG22 ILE 102 2HG2 ILE 102 -20.651 -1.474 20.506 837 HG23 ILE 102 3HG2 ILE 102 -19.490 -0.546 21.461 838 HD11 ILE 102 3HD1 ILE 102 -18.757 0.609 19.759 839 HD12 ILE 102 1HD1 ILE 102 -17.822 0.576 18.264 840 HD13 ILE 102 2HD1 ILE 102 -17.045 0.173 19.791 841 H LEU 103 H LEU 103 -16.589 -2.057 23.639 842 HA LEU 103 HA LEU 103 -17.802 -4.607 24.588 843 HB2 LEU 103 2HB LEU 103 -15.347 -3.140 25.664 844 HB3 LEU 103 1HB LEU 103 -16.042 -4.588 26.372 845 HG LEU 103 HG LEU 103 -14.789 -4.454 23.598 846 HD11 LEU 103 1HD1 LEU 103 -12.896 -5.684 24.549 847 HD12 LEU 103 2HD1 LEU 103 -13.615 -5.586 26.160 848 HD13 LEU 103 3HD1 LEU 103 -13.096 -4.116 25.331 849 HD21 LEU 103 3HD2 LEU 103 -14.904 -6.907 23.630 850 HD22 LEU 103 1HD2 LEU 103 -16.511 -6.193 23.756 851 HD23 LEU 103 2HD2 LEU 103 -15.731 -6.865 25.190 852 H GLU 104 H GLU 104 -18.848 -4.533 26.645 853 HA GLU 104 HA GLU 104 -20.036 -1.945 27.328 854 HB2 GLU 104 2HB GLU 104 -20.658 -4.741 28.419 855 HB3 GLU 104 1HB GLU 104 -21.537 -3.277 28.834 856 HG2 GLU 104 2HG GLU 104 -22.832 -4.557 27.242 857 HG3 GLU 104 1HG GLU 104 -22.280 -3.070 26.471 Start of MODEL 9 1 H1 MET 1 1H MET 1 -13.218 -0.323 0.971 2 H2 MET 1 2H MET 1 -12.622 -1.860 1.347 3 H3 MET 1 3H MET 1 -13.454 -1.608 -0.098 4 HA MET 1 HA MET 1 -11.762 -0.246 -0.969 5 HB2 MET 1 2HB MET 1 -11.030 0.846 1.123 6 HB3 MET 1 1HB MET 1 -10.354 -0.668 1.706 7 HG2 MET 1 2HG MET 1 -8.645 -0.612 -0.047 8 HG3 MET 1 1HG MET 1 -9.361 0.853 -0.726 9 HE1 MET 1 3HE MET 1 -6.216 0.535 0.156 10 HE2 MET 1 1HE MET 1 -5.959 2.095 0.933 11 HE3 MET 1 2HE MET 1 -6.860 2.006 -0.581 12 H THR 2 H THR 2 -11.749 -1.909 -2.387 13 HA THR 2 HA THR 2 -10.469 -4.457 -1.903 14 HB THR 2 HB THR 2 -10.855 -4.772 -4.379 15 HG1 THR 2 HG1 THR 2 -12.246 -3.040 -5.323 16 HG21 THR 2 3HG2 THR 2 -13.312 -4.798 -4.310 17 HG22 THR 2 1HG2 THR 2 -13.295 -3.797 -2.855 18 HG23 THR 2 2HG2 THR 2 -12.631 -5.434 -2.812 19 H GLY 3 H GLY 3 -8.778 -5.147 -3.626 20 HA2 GLY 3 2HA GLY 3 -6.431 -3.573 -3.555 21 HA3 GLY 3 1HA GLY 3 -6.706 -4.970 -4.589 22 H GLN 4 H GLN 4 -9.081 -3.745 -5.827 23 HA GLN 4 HA GLN 4 -8.049 -2.211 -7.936 24 HB2 GLN 4 2HB GLN 4 -10.117 -3.369 -8.250 25 HB3 GLN 4 1HB GLN 4 -10.856 -2.618 -6.841 26 HG2 GLN 4 2HG GLN 4 -10.963 -0.471 -7.991 27 HG3 GLN 4 1HG GLN 4 -10.135 -1.136 -9.400 28 HE21 GLN 4 1HE2 GLN 4 -12.824 0.086 -9.089 29 HE22 GLN 4 2HE2 GLN 4 -13.927 -1.084 -9.722 30 H GLU 5 H GLU 5 -9.735 -1.205 -4.939 31 HA GLU 5 HA GLU 5 -9.760 1.578 -5.511 32 HB2 GLU 5 2HB GLU 5 -9.846 0.233 -2.777 33 HB3 GLU 5 1HB GLU 5 -10.372 1.872 -3.145 34 HG2 GLU 5 2HG GLU 5 -11.633 -0.688 -4.158 35 HG3 GLU 5 1HG GLU 5 -12.280 0.365 -2.904 36 H LEU 6 H LEU 6 -7.525 -0.481 -3.724 37 HA LEU 6 HA LEU 6 -5.694 1.470 -2.832 38 HB2 LEU 6 2HB LEU 6 -5.794 -0.797 -1.930 39 HB3 LEU 6 1HB LEU 6 -5.365 -1.480 -3.489 40 HG LEU 6 HG LEU 6 -3.081 -0.559 -3.302 41 HD11 LEU 6 1HD1 LEU 6 -3.913 0.555 -0.599 42 HD12 LEU 6 2HD1 LEU 6 -3.519 1.495 -2.042 43 HD13 LEU 6 3HD1 LEU 6 -2.272 0.531 -1.258 44 HD21 LEU 6 3HD2 LEU 6 -3.961 -2.110 -0.846 45 HD22 LEU 6 1HD2 LEU 6 -2.300 -1.953 -1.418 46 HD23 LEU 6 2HD2 LEU 6 -3.493 -2.783 -2.411 47 H ARG 7 H ARG 7 -5.866 -0.449 -5.821 48 HA ARG 7 HA ARG 7 -3.403 0.368 -6.979 49 HB2 ARG 7 2HB ARG 7 -4.727 -1.685 -7.583 50 HB3 ARG 7 1HB ARG 7 -5.898 -0.662 -8.402 51 HG2 ARG 7 2HG ARG 7 -4.229 0.006 -10.049 52 HG3 ARG 7 1HG ARG 7 -2.958 -0.848 -9.163 53 HD2 ARG 7 2HD ARG 7 -4.136 -2.994 -9.555 54 HD3 ARG 7 1HD ARG 7 -5.392 -2.139 -10.453 55 HE ARG 7 HE ARG 7 -3.081 -1.509 -11.776 56 HH11 ARG 7 1HH1 ARG 7 -4.619 -4.554 -10.874 57 HH12 ARG 7 2HH1 ARG 7 -3.988 -5.421 -12.240 58 HH21 ARG 7 1HH2 ARG 7 -2.304 -2.627 -13.581 59 HH22 ARG 7 2HH2 ARG 7 -2.664 -4.313 -13.788 60 H GLN 8 H GLN 8 -6.737 1.534 -7.297 61 HA GLN 8 HA GLN 8 -6.290 3.453 -9.350 62 HB2 GLN 8 2HB GLN 8 -8.517 3.152 -7.286 63 HB3 GLN 8 1HB GLN 8 -8.527 4.410 -8.518 64 HG2 GLN 8 2HG GLN 8 -8.462 1.437 -9.108 65 HG3 GLN 8 1HG GLN 8 -9.913 2.430 -9.097 66 HE21 GLN 8 1HE2 GLN 8 -6.887 1.843 -10.743 67 HE22 GLN 8 2HE2 GLN 8 -7.332 2.591 -12.234 68 H LEU 9 H LEU 9 -5.779 3.459 -5.920 69 HA LEU 9 HA LEU 9 -5.561 6.306 -5.553 70 HB2 LEU 9 2HB LEU 9 -6.169 4.688 -3.762 71 HB3 LEU 9 1HB LEU 9 -4.581 3.953 -3.884 72 HG LEU 9 HG LEU 9 -3.563 6.104 -3.072 73 HD11 LEU 9 1HD1 LEU 9 -5.291 7.691 -3.769 74 HD12 LEU 9 2HD1 LEU 9 -4.976 7.824 -2.041 75 HD13 LEU 9 3HD1 LEU 9 -6.428 6.995 -2.611 76 HD21 LEU 9 3HD2 LEU 9 -5.636 4.874 -1.226 77 HD22 LEU 9 1HD2 LEU 9 -4.218 5.804 -0.729 78 HD23 LEU 9 2HD2 LEU 9 -4.012 4.249 -1.531 79 H LEU 10 H LEU 10 -3.338 3.621 -6.225 80 HA LEU 10 HA LEU 10 -0.878 5.103 -6.055 81 HB2 LEU 10 2HB LEU 10 -1.333 2.557 -7.661 82 HB3 LEU 10 1HB LEU 10 0.183 3.146 -7.004 83 HG LEU 10 HG LEU 10 -2.146 2.111 -5.347 84 HD11 LEU 10 1HD1 LEU 10 -1.127 0.314 -6.634 85 HD12 LEU 10 2HD1 LEU 10 -0.768 0.136 -4.919 86 HD13 LEU 10 3HD1 LEU 10 0.472 0.750 -6.020 87 HD21 LEU 10 3HD2 LEU 10 -0.601 2.153 -3.446 88 HD22 LEU 10 1HD2 LEU 10 -0.855 3.768 -4.107 89 HD23 LEU 10 2HD2 LEU 10 0.640 2.896 -4.457 90 H LEU 11 H LEU 11 -3.132 4.243 -8.639 91 HA LEU 11 HA LEU 11 -1.628 5.336 -10.820 92 HB2 LEU 11 2HB LEU 11 -4.578 4.584 -10.625 93 HB3 LEU 11 1HB LEU 11 -3.748 4.999 -12.118 94 HG LEU 11 HG LEU 11 -3.115 2.576 -10.380 95 HD11 LEU 11 1HD1 LEU 11 -5.269 2.340 -11.524 96 HD12 LEU 11 2HD1 LEU 11 -4.072 1.230 -12.181 97 HD13 LEU 11 3HD1 LEU 11 -4.502 2.692 -13.076 98 HD21 LEU 11 3HD2 LEU 11 -1.651 1.856 -12.215 99 HD22 LEU 11 1HD2 LEU 11 -1.112 3.380 -11.511 100 HD23 LEU 11 2HD2 LEU 11 -1.953 3.375 -13.062 101 H ASP 12 H ASP 12 -4.270 6.478 -8.765 102 HA ASP 12 HA ASP 12 -4.981 8.917 -9.896 103 HB2 ASP 12 2HB ASP 12 -6.135 7.934 -7.909 104 HB3 ASP 12 1HB ASP 12 -4.716 8.227 -6.913 105 H LYS 13 H LYS 13 -2.457 8.263 -7.498 106 HA LYS 13 HA LYS 13 -1.642 11.039 -7.430 107 HB2 LYS 13 2HB LYS 13 -1.930 9.670 -5.363 108 HB3 LYS 13 1HB LYS 13 -0.595 8.638 -5.861 109 HG2 LYS 13 2HG LYS 13 0.037 10.322 -4.136 110 HG3 LYS 13 1HG LYS 13 0.989 10.446 -5.614 111 HD2 LYS 13 2HD LYS 13 0.484 12.676 -4.898 112 HD3 LYS 13 1HD LYS 13 -0.500 12.365 -6.325 113 HE2 LYS 13 2HE LYS 13 -1.520 12.160 -3.473 114 HE3 LYS 13 1HE LYS 13 -1.681 13.596 -4.470 115 HZ1 LYS 13 3HZ LYS 13 -2.952 10.953 -4.930 116 HZ2 LYS 13 1HZ LYS 13 -2.974 12.213 -6.058 117 HZ3 LYS 13 2HZ LYS 13 -3.706 12.412 -4.553 118 H TRP 14 H TRP 14 0.032 7.915 -8.078 119 HA TRP 14 HA TRP 14 2.393 9.448 -8.977 120 HB2 TRP 14 2HB TRP 14 2.165 6.535 -8.124 121 HB3 TRP 14 1HB TRP 14 3.658 7.391 -8.504 122 HD1 TRP 14 HD1 TRP 14 3.365 10.005 -6.831 123 HE1 TRP 14 HE1 TRP 14 3.349 9.958 -4.261 124 HE3 TRP 14 HE3 TRP 14 1.983 5.146 -6.110 125 HZ2 TRP 14 HZ2 TRP 14 2.844 8.129 -2.200 126 HZ3 TRP 14 HZ3 TRP 14 1.768 4.321 -3.807 127 HH2 TRP 14 HH2 TRP 14 2.186 5.778 -1.888 128 H GLY 15 H GLY 15 -0.078 7.331 -10.188 129 HA2 GLY 15 2HA GLY 15 -0.672 7.096 -12.429 130 HA3 GLY 15 1HA GLY 15 0.878 7.757 -12.908 131 H TYR 16 H TYR 16 1.334 5.273 -10.674 132 HA TYR 16 HA TYR 16 1.632 3.217 -12.764 133 HB2 TYR 16 2HB TYR 16 3.792 3.925 -10.738 134 HB3 TYR 16 1HB TYR 16 3.855 2.556 -11.839 135 HD1 TYR 16 HD1 TYR 16 3.964 3.015 -14.353 136 HD2 TYR 16 HD2 TYR 16 4.526 6.096 -11.442 137 HE1 TYR 16 HE1 TYR 16 5.051 4.440 -16.057 138 HE2 TYR 16 HE2 TYR 16 5.602 7.500 -13.142 139 HH TYR 16 HH TYR 16 6.802 7.234 -15.240 140 H SER 17 H SER 17 1.411 1.128 -12.094 141 HA SER 17 HA SER 17 -0.119 0.727 -9.660 142 HB2 SER 17 2HB SER 17 -0.355 -1.621 -10.651 143 HB3 SER 17 1HB SER 17 -0.973 -0.316 -11.668 144 HG SER 17 HG SER 17 0.263 -1.590 -12.962 145 H TYR 18 H TYR 18 1.582 1.139 -8.140 146 HA TYR 18 HA TYR 18 4.021 -0.394 -8.139 147 HB2 TYR 18 2HB TYR 18 2.823 1.533 -6.103 148 HB3 TYR 18 1HB TYR 18 4.387 0.752 -5.899 149 HD1 TYR 18 HD1 TYR 18 6.189 1.157 -7.688 150 HD2 TYR 18 HD2 TYR 18 2.684 3.577 -7.332 151 HE1 TYR 18 HE1 TYR 18 7.310 2.960 -8.914 152 HE2 TYR 18 HE2 TYR 18 3.811 5.360 -8.567 153 HH TYR 18 HH TYR 18 6.853 4.914 -10.151 154 H ASP 19 H ASP 19 4.639 -1.997 -6.748 155 HA ASP 19 HA ASP 19 2.733 -3.679 -5.415 156 HB2 ASP 19 2HB ASP 19 4.804 -4.645 -6.345 157 HB3 ASP 19 1HB ASP 19 5.797 -3.614 -5.322 158 H VAL 20 H VAL 20 2.296 -3.765 -3.245 159 HA VAL 20 HA VAL 20 3.663 -1.893 -1.393 160 HB VAL 20 HB VAL 20 1.447 -1.581 -0.231 161 HG11 VAL 20 1HG1 VAL 20 0.513 0.092 -1.792 162 HG12 VAL 20 2HG1 VAL 20 1.493 -0.573 -3.104 163 HG13 VAL 20 3HG1 VAL 20 2.273 0.189 -1.716 164 HG21 VAL 20 3HG2 VAL 20 -0.664 -2.070 -1.420 165 HG22 VAL 20 1HG2 VAL 20 0.242 -3.547 -1.091 166 HG23 VAL 20 2HG2 VAL 20 0.241 -2.861 -2.714 167 H GLN 21 H GLN 21 4.429 -2.906 0.360 168 HA GLN 21 HA GLN 21 3.405 -5.581 1.108 169 HB2 GLN 21 2HB GLN 21 5.756 -6.315 1.534 170 HB3 GLN 21 1HB GLN 21 5.424 -6.002 -0.163 171 HG2 GLN 21 2HG GLN 21 6.606 -3.836 -0.004 172 HG3 GLN 21 1HG GLN 21 6.916 -4.139 1.708 173 HE21 GLN 21 1HE2 GLN 21 9.170 -4.032 1.382 174 HE22 GLN 21 2HE2 GLN 21 10.052 -5.289 0.590 175 H PHE 22 H PHE 22 3.417 -6.060 3.238 176 HA PHE 22 HA PHE 22 3.337 -3.845 5.066 177 HB2 PHE 22 2HB PHE 22 2.796 -6.823 5.401 178 HB3 PHE 22 1HB PHE 22 2.707 -5.688 6.742 179 HD1 PHE 22 HD1 PHE 22 1.143 -3.626 6.467 180 HD2 PHE 22 HD2 PHE 22 0.871 -7.144 4.040 181 HE1 PHE 22 HE1 PHE 22 -1.177 -3.049 5.878 182 HE2 PHE 22 HE2 PHE 22 -1.442 -6.552 3.470 183 HZ PHE 22 HZ PHE 22 -2.467 -4.507 4.383 184 H ARG 23 H ARG 23 4.481 -3.651 7.014 185 HA ARG 23 HA ARG 23 6.901 -5.257 7.403 186 HB2 ARG 23 2HB ARG 23 7.567 -3.278 6.013 187 HB3 ARG 23 1HB ARG 23 6.961 -2.190 7.265 188 HG2 ARG 23 2HG ARG 23 8.630 -3.056 8.853 189 HG3 ARG 23 1HG ARG 23 9.203 -4.216 7.650 190 HD2 ARG 23 2HD ARG 23 9.788 -2.268 6.171 191 HD3 ARG 23 1HD ARG 23 9.387 -1.199 7.517 192 HE ARG 23 HE ARG 23 11.194 -2.327 8.784 193 HH11 ARG 23 1HH1 ARG 23 11.324 -2.428 5.259 194 HH12 ARG 23 2HH1 ARG 23 13.047 -2.650 5.214 195 HH21 ARG 23 1HH2 ARG 23 13.451 -2.641 8.697 196 HH22 ARG 23 2HH2 ARG 23 14.241 -2.769 7.156 197 H ARG 24 H ARG 24 7.043 -5.766 9.474 198 HA ARG 24 HA ARG 24 5.283 -4.403 11.443 199 HB2 ARG 24 2HB ARG 24 4.411 -6.597 10.748 200 HB3 ARG 24 1HB ARG 24 5.941 -7.371 11.152 201 HG2 ARG 24 2HG ARG 24 5.605 -6.915 13.527 202 HG3 ARG 24 1HG ARG 24 4.152 -5.970 13.175 203 HD2 ARG 24 2HD ARG 24 4.510 -8.950 12.682 204 HD3 ARG 24 1HD ARG 24 3.553 -8.212 13.973 205 HE ARG 24 HE ARG 24 2.287 -7.145 11.972 206 HH11 ARG 24 1HH1 ARG 24 3.502 -10.458 12.026 207 HH12 ARG 24 2HH1 ARG 24 2.301 -11.034 10.913 208 HH21 ARG 24 1HH2 ARG 24 0.778 -7.898 10.468 209 HH22 ARG 24 2HH2 ARG 24 0.757 -9.577 10.028 210 H THR 25 H THR 25 6.601 -3.259 12.704 211 HA THR 25 HA THR 25 8.854 -4.555 14.075 212 HB THR 25 HB THR 25 9.990 -3.511 12.199 213 HG1 THR 25 HG1 THR 25 10.997 -3.265 14.269 214 HG21 THR 25 3HG2 THR 25 8.285 -1.861 11.532 215 HG22 THR 25 1HG2 THR 25 9.871 -1.107 11.702 216 HG23 THR 25 2HG2 THR 25 8.652 -0.891 12.961 217 H GLN 26 H GLN 26 9.096 -3.906 16.137 218 HA GLN 26 HA GLN 26 8.645 -3.072 18.186 219 HB2 GLN 26 2HB GLN 26 8.090 -0.487 16.649 220 HB3 GLN 26 1HB GLN 26 8.335 -0.605 18.389 221 HG2 GLN 26 2HG GLN 26 10.644 -1.403 18.016 222 HG3 GLN 26 1HG GLN 26 10.398 -1.286 16.276 223 HE21 GLN 26 1HE2 GLN 26 10.903 0.508 19.211 224 HE22 GLN 26 2HE2 GLN 26 11.210 2.040 18.477 225 H GLY 27 H GLY 27 6.470 -4.360 16.697 226 HA2 GLY 27 2HA GLY 27 4.307 -5.007 17.221 227 HA3 GLY 27 1HA GLY 27 4.270 -3.769 18.466 228 H LYS 28 H LYS 28 5.204 -2.346 15.606 229 HA LYS 28 HA LYS 28 2.500 -1.337 15.006 230 HB2 LYS 28 2HB LYS 28 5.277 -0.244 14.362 231 HB3 LYS 28 1HB LYS 28 3.765 0.533 13.901 232 HG2 LYS 28 2HG LYS 28 3.206 1.019 16.181 233 HG3 LYS 28 1HG LYS 28 4.497 -0.024 16.789 234 HD2 LYS 28 2HD LYS 28 6.197 1.492 15.920 235 HD3 LYS 28 1HD LYS 28 4.962 2.508 15.166 236 HE2 LYS 28 2HE LYS 28 5.833 3.462 17.285 237 HE3 LYS 28 1HE LYS 28 4.099 3.153 17.358 238 HZ1 LYS 28 3HZ LYS 28 6.148 1.300 18.445 239 HZ2 LYS 28 1HZ LYS 28 4.475 1.230 18.669 240 HZ3 LYS 28 2HZ LYS 28 5.368 2.484 19.365 241 H ILE 29 H ILE 29 1.993 -0.960 12.694 242 HA ILE 29 HA ILE 29 3.383 -2.817 10.843 243 HB ILE 29 HB ILE 29 1.144 -3.695 11.584 244 HG12 ILE 29 2HG1 ILE 29 0.245 -4.201 9.271 245 HG13 ILE 29 1HG1 ILE 29 1.378 -3.024 8.613 246 HG21 ILE 29 1HG2 ILE 29 -0.056 -1.588 11.880 247 HG22 ILE 29 2HG2 ILE 29 -0.942 -2.676 10.811 248 HG23 ILE 29 3HG2 ILE 29 -0.038 -1.318 10.136 249 HD11 ILE 29 3HD1 ILE 29 2.146 -5.338 8.381 250 HD12 ILE 29 1HD1 ILE 29 2.147 -5.516 10.132 251 HD13 ILE 29 2HD1 ILE 29 3.255 -4.376 9.358 252 H PHE 30 H PHE 30 3.840 -2.040 8.839 253 HA PHE 30 HA PHE 30 3.130 0.746 8.105 254 HB2 PHE 30 2HB PHE 30 5.935 -0.490 7.995 255 HB3 PHE 30 1HB PHE 30 5.494 1.089 7.350 256 HD1 PHE 30 HD1 PHE 30 5.074 2.994 8.864 257 HD2 PHE 30 HD2 PHE 30 6.195 -0.837 10.417 258 HE1 PHE 30 HE1 PHE 30 5.572 4.016 11.048 259 HE2 PHE 30 HE2 PHE 30 6.693 0.201 12.597 260 HZ PHE 30 HZ PHE 30 6.384 2.623 12.911 261 H LEU 31 H LEU 31 2.284 0.739 6.077 262 HA LEU 31 HA LEU 31 2.836 -1.536 4.288 263 HB2 LEU 31 2HB LEU 31 0.472 -0.682 4.544 264 HB3 LEU 31 1HB LEU 31 0.972 0.838 3.811 265 HG LEU 31 HG LEU 31 1.608 -0.423 1.713 266 HD11 LEU 31 1HD1 LEU 31 0.369 -2.806 3.119 267 HD12 LEU 31 2HD1 LEU 31 2.069 -2.606 2.684 268 HD13 LEU 31 3HD1 LEU 31 0.849 -2.745 1.421 269 HD21 LEU 31 3HD2 LEU 31 -1.284 -0.785 2.566 270 HD22 LEU 31 1HD2 LEU 31 -0.680 -0.813 0.906 271 HD23 LEU 31 2HD2 LEU 31 -0.585 0.671 1.854 272 H GLN 32 H GLN 32 4.890 -1.246 3.478 273 HA GLN 32 HA GLN 32 5.790 1.364 2.545 274 HB2 GLN 32 2HB GLN 32 7.238 -1.320 2.529 275 HB3 GLN 32 1HB GLN 32 7.944 0.234 2.087 276 HG2 GLN 32 2HG GLN 32 7.219 0.969 4.512 277 HG3 GLN 32 1HG GLN 32 7.136 -0.765 4.816 278 HE21 GLN 32 1HE2 GLN 32 8.933 1.252 5.959 279 HE22 GLN 32 2HE2 GLN 32 10.537 0.709 5.597 280 H VAL 33 H VAL 33 5.063 1.999 0.659 281 HA VAL 33 HA VAL 33 4.368 0.375 -1.571 282 HB VAL 33 HB VAL 33 5.101 3.349 -1.534 283 HG11 VAL 33 1HG1 VAL 33 5.139 2.375 -3.801 284 HG12 VAL 33 2HG1 VAL 33 3.781 3.482 -3.624 285 HG13 VAL 33 3HG1 VAL 33 3.508 1.740 -3.573 286 HG21 VAL 33 3HG2 VAL 33 3.260 2.881 0.037 287 HG22 VAL 33 1HG2 VAL 33 2.365 2.049 -1.237 288 HG23 VAL 33 2HG2 VAL 33 2.673 3.783 -1.362 289 H MET 34 H MET 34 5.877 -0.816 -2.572 290 HA MET 34 HA MET 34 8.647 -0.164 -2.854 291 HB2 MET 34 2HB MET 34 6.897 -2.200 -4.297 292 HB3 MET 34 1HB MET 34 8.646 -2.112 -4.469 293 HG2 MET 34 2HG MET 34 7.181 -2.683 -1.887 294 HG3 MET 34 1HG MET 34 7.901 -3.899 -2.938 295 HE1 MET 34 3HE MET 34 10.012 -1.440 0.258 296 HE2 MET 34 1HE MET 34 8.352 -2.035 0.224 297 HE3 MET 34 2HE MET 34 8.809 -0.636 -0.752 298 H TRP 35 H TRP 35 9.726 0.233 -4.753 299 HA TRP 35 HA TRP 35 8.675 2.143 -6.626 300 HB2 TRP 35 2HB TRP 35 11.061 1.981 -7.550 301 HB3 TRP 35 1HB TRP 35 10.943 2.459 -5.863 302 HD1 TRP 35 HD1 TRP 35 12.315 -0.359 -8.074 303 HE1 TRP 35 HE1 TRP 35 13.690 -1.973 -6.613 304 HE3 TRP 35 HE3 TRP 35 11.094 1.438 -3.413 305 HZ2 TRP 35 HZ2 TRP 35 14.185 -2.447 -3.887 306 HZ3 TRP 35 HZ3 TRP 35 12.046 0.328 -1.434 307 HH2 TRP 35 HH2 TRP 35 13.562 -1.579 -1.666 308 H LYS 36 H LYS 36 8.868 -1.236 -6.477 309 HA LYS 36 HA LYS 36 9.103 -1.913 -9.249 310 HB2 LYS 36 2HB LYS 36 7.823 -3.568 -7.022 311 HB3 LYS 36 1HB LYS 36 8.574 -4.163 -8.503 312 HG2 LYS 36 2HG LYS 36 10.782 -3.659 -7.711 313 HG3 LYS 36 1HG LYS 36 10.152 -2.694 -6.367 314 HD2 LYS 36 2HD LYS 36 9.116 -4.784 -5.417 315 HD3 LYS 36 1HD LYS 36 9.901 -5.714 -6.699 316 HE2 LYS 36 2HE LYS 36 12.112 -4.966 -5.868 317 HE3 LYS 36 1HE LYS 36 11.314 -4.059 -4.580 318 HZ1 LYS 36 3HZ LYS 36 10.447 -6.112 -3.693 319 HZ2 LYS 36 1HZ LYS 36 12.129 -6.210 -3.831 320 HZ3 LYS 36 2HZ LYS 36 11.143 -7.000 -4.954 321 H TYR 37 H TYR 37 7.493 -1.064 -10.582 322 HA TYR 37 HA TYR 37 4.663 -1.563 -9.831 323 HB2 TYR 37 2HB TYR 37 4.097 0.072 -11.689 324 HB3 TYR 37 1HB TYR 37 4.872 0.767 -10.278 325 HD1 TYR 37 HD1 TYR 37 7.304 1.437 -10.400 326 HD2 TYR 37 HD2 TYR 37 5.101 0.300 -13.870 327 HE1 TYR 37 HE1 TYR 37 8.955 2.577 -11.810 328 HE2 TYR 37 HE2 TYR 37 6.757 1.433 -15.281 329 HH TYR 37 HH TYR 37 8.424 3.274 -15.050 330 H LEU 38 H LEU 38 3.230 -2.322 -11.475 331 HA LEU 38 HA LEU 38 4.108 -4.796 -12.429 332 HB2 LEU 38 2HB LEU 38 1.798 -4.284 -11.690 333 HB3 LEU 38 1HB LEU 38 1.557 -3.289 -13.117 334 HG LEU 38 HG LEU 38 1.822 -5.349 -14.549 335 HD11 LEU 38 1HD1 LEU 38 3.181 -6.733 -13.062 336 HD12 LEU 38 2HD1 LEU 38 1.713 -7.581 -13.544 337 HD13 LEU 38 3HD1 LEU 38 1.834 -6.877 -11.929 338 HD21 LEU 38 3HD2 LEU 38 -0.408 -4.523 -13.899 339 HD22 LEU 38 1HD2 LEU 38 -0.381 -5.572 -12.481 340 HD23 LEU 38 2HD2 LEU 38 -0.383 -6.273 -14.102 341 H GLU 39 H GLU 39 4.025 -1.727 -14.034 342 HA GLU 39 HA GLU 39 4.000 -2.644 -16.754 343 HB2 GLU 39 2HB GLU 39 4.873 0.056 -15.654 344 HB3 GLU 39 1HB GLU 39 4.464 -0.296 -17.327 345 HG2 GLU 39 2HG GLU 39 2.516 -0.456 -15.002 346 HG3 GLU 39 1HG GLU 39 2.671 0.912 -16.100 347 H GLN 40 H GLN 40 6.430 -2.808 -14.437 348 HA GLN 40 HA GLN 40 8.646 -2.782 -16.376 349 HB2 GLN 40 2HB GLN 40 8.534 -3.137 -13.346 350 HB3 GLN 40 1HB GLN 40 10.009 -3.406 -14.272 351 HG2 GLN 40 2HG GLN 40 8.465 -0.798 -14.194 352 HG3 GLN 40 1HG GLN 40 9.905 -1.145 -13.238 353 HE21 GLN 40 1HE2 GLN 40 9.376 0.906 -15.380 354 HE22 GLN 40 2HE2 GLN 40 10.637 0.678 -16.535 355 H ALA 41 H ALA 41 9.584 -4.627 -17.135 356 HA ALA 41 HA ALA 41 8.280 -7.169 -16.982 357 HB1 ALA 41 3HB ALA 41 11.014 -6.454 -18.115 358 HB2 ALA 41 1HB ALA 41 9.489 -6.421 -18.999 359 HB3 ALA 41 2HB ALA 41 10.132 -7.956 -18.420 360 H SER 42 H SER 42 10.879 -5.650 -15.255 361 HA SER 42 HA SER 42 12.106 -7.899 -14.038 362 HB2 SER 42 2HB SER 42 12.999 -6.108 -12.442 363 HB3 SER 42 1HB SER 42 13.312 -5.839 -14.156 364 HG SER 42 HG SER 42 11.771 -4.385 -12.408 365 H PHE 43 H PHE 43 9.068 -6.442 -13.460 366 HA PHE 43 HA PHE 43 8.724 -6.666 -10.686 367 HB2 PHE 43 2HB PHE 43 7.267 -5.407 -12.373 368 HB3 PHE 43 1HB PHE 43 6.553 -6.953 -12.817 369 HD1 PHE 43 HD1 PHE 43 7.034 -4.569 -10.013 370 HD2 PHE 43 HD2 PHE 43 4.772 -7.885 -11.475 371 HE1 PHE 43 HE1 PHE 43 5.438 -4.293 -8.179 372 HE2 PHE 43 HE2 PHE 43 3.176 -7.593 -9.631 373 HZ PHE 43 HZ PHE 43 3.518 -5.795 -7.979 374 HA PRO 44 HA PRO 44 8.974 -11.089 -10.491 375 HB2 PRO 44 2HB PRO 44 8.794 -11.494 -7.839 376 HB3 PRO 44 1HB PRO 44 10.109 -10.508 -8.514 377 HG2 PRO 44 2HG PRO 44 7.560 -9.600 -7.215 378 HG3 PRO 44 1HG PRO 44 9.212 -8.987 -6.990 379 HD2 PRO 44 2HD PRO 44 7.336 -7.806 -8.660 380 HD3 PRO 44 1HD PRO 44 9.092 -7.621 -8.842 381 H MET 45 H MET 45 5.969 -9.680 -10.226 382 HA MET 45 HA MET 45 4.591 -12.280 -9.813 383 HB2 MET 45 2HB MET 45 3.659 -9.496 -8.971 384 HB3 MET 45 1HB MET 45 2.612 -10.907 -8.983 385 HG2 MET 45 2HG MET 45 4.112 -11.981 -7.312 386 HG3 MET 45 1HG MET 45 5.061 -10.497 -7.264 387 HE1 MET 45 3HE MET 45 2.481 -7.936 -5.787 388 HE2 MET 45 1HE MET 45 2.724 -8.256 -7.507 389 HE3 MET 45 2HE MET 45 4.110 -8.166 -6.413 390 H ASN 46 H ASN 46 2.738 -12.655 -11.080 391 HA ASN 46 HA ASN 46 2.593 -11.400 -13.681 392 HB2 ASN 46 2HB ASN 46 0.863 -13.532 -12.342 393 HB3 ASN 46 1HB ASN 46 0.626 -12.985 -14.002 394 HD21 ASN 46 1HD2 ASN 46 1.258 -15.644 -13.071 395 HD22 ASN 46 2HD2 ASN 46 2.751 -16.088 -13.824 396 H GLU 47 H GLU 47 0.215 -10.817 -14.452 397 HA GLU 47 HA GLU 47 -0.266 -8.297 -13.275 398 HB2 GLU 47 2HB GLU 47 -1.964 -9.794 -15.323 399 HB3 GLU 47 1HB GLU 47 -2.083 -8.073 -14.957 400 HG2 GLU 47 2HG GLU 47 0.202 -7.713 -15.801 401 HG3 GLU 47 1HG GLU 47 0.362 -9.444 -16.114 402 H THR 48 H THR 48 -2.557 -11.034 -13.580 403 HA THR 48 HA THR 48 -4.584 -9.904 -11.970 404 HB THR 48 HB THR 48 -4.195 -12.877 -12.600 405 HG1 THR 48 HG1 THR 48 -5.433 -12.384 -14.482 406 HG21 THR 48 3HG2 THR 48 -6.017 -12.395 -10.965 407 HG22 THR 48 1HG2 THR 48 -6.647 -13.006 -12.497 408 HG23 THR 48 2HG2 THR 48 -6.753 -11.286 -12.125 409 H GLU 49 H GLU 49 -1.902 -12.124 -11.276 410 HA GLU 49 HA GLU 49 -2.645 -12.812 -8.608 411 HB2 GLU 49 2HB GLU 49 0.067 -12.911 -9.989 412 HB3 GLU 49 1HB GLU 49 -0.259 -13.575 -8.389 413 HG2 GLU 49 2HG GLU 49 -1.988 -15.091 -9.442 414 HG3 GLU 49 1HG GLU 49 -1.447 -14.511 -11.021 415 H TYR 50 H TYR 50 -0.752 -10.168 -9.992 416 HA TYR 50 HA TYR 50 0.099 -8.958 -7.561 417 HB2 TYR 50 2HB TYR 50 1.246 -8.136 -9.442 418 HB3 TYR 50 1HB TYR 50 -0.206 -8.008 -10.425 419 HD1 TYR 50 HD1 TYR 50 1.472 -6.441 -7.433 420 HD2 TYR 50 HD2 TYR 50 -1.187 -5.889 -10.739 421 HE1 TYR 50 HE1 TYR 50 1.326 -4.043 -6.929 422 HE2 TYR 50 HE2 TYR 50 -1.323 -3.499 -10.229 423 HH TYR 50 HH TYR 50 0.680 -1.980 -7.891 424 H GLN 51 H GLN 51 -2.866 -8.731 -9.477 425 HA GLN 51 HA GLN 51 -4.096 -6.607 -8.041 426 HB2 GLN 51 2HB GLN 51 -4.775 -7.285 -10.338 427 HB3 GLN 51 1HB GLN 51 -5.376 -8.816 -9.714 428 HG2 GLN 51 2HG GLN 51 -7.214 -7.249 -10.147 429 HG3 GLN 51 1HG GLN 51 -7.113 -7.646 -8.433 430 HE21 GLN 51 1HE2 GLN 51 -8.164 -5.786 -7.741 431 HE22 GLN 51 2HE2 GLN 51 -7.473 -4.214 -7.879 432 H GLU 52 H GLU 52 -4.188 -10.158 -7.684 433 HA GLU 52 HA GLU 52 -6.028 -10.239 -5.502 434 HB2 GLU 52 2HB GLU 52 -3.900 -12.302 -6.222 435 HB3 GLU 52 1HB GLU 52 -5.313 -12.568 -5.208 436 HG2 GLU 52 2HG GLU 52 -5.257 -12.071 -8.189 437 HG3 GLU 52 1HG GLU 52 -5.691 -13.566 -7.366 438 H HIS 53 H HIS 53 -2.537 -9.860 -5.768 439 HA HIS 53 HA HIS 53 -1.813 -10.123 -3.050 440 HB2 HIS 53 2HB HIS 53 -0.000 -10.136 -4.603 441 HB3 HIS 53 1HB HIS 53 -0.545 -8.667 -5.398 442 HD1 HIS 53 HD1 HIS 53 1.166 -9.802 -2.205 443 HD2 HIS 53 HD2 HIS 53 0.559 -6.325 -4.400 444 HE1 HIS 53 HE1 HIS 53 2.601 -8.056 -1.118 445 HE2 HIS 53 HE2 HIS 53 2.396 -6.057 -2.610 446 H LEU 54 H LEU 54 -2.691 -7.244 -4.985 447 HA LEU 54 HA LEU 54 -2.502 -5.294 -2.955 448 HB2 LEU 54 2HB LEU 54 -4.284 -5.388 -5.419 449 HB3 LEU 54 1HB LEU 54 -4.122 -3.970 -4.395 450 HG LEU 54 HG LEU 54 -1.950 -5.209 -6.124 451 HD11 LEU 54 1HD1 LEU 54 -3.461 -2.580 -6.304 452 HD12 LEU 54 2HD1 LEU 54 -3.642 -3.978 -7.372 453 HD13 LEU 54 3HD1 LEU 54 -2.132 -3.078 -7.352 454 HD21 LEU 54 3HD2 LEU 54 -0.530 -3.314 -5.437 455 HD22 LEU 54 1HD2 LEU 54 -0.935 -4.343 -4.063 456 HD23 LEU 54 2HD2 LEU 54 -1.759 -2.797 -4.279 457 H ASP 55 H ASP 55 -5.084 -7.441 -3.974 458 HA ASP 55 HA ASP 55 -7.184 -6.259 -2.432 459 HB2 ASP 55 2HB ASP 55 -7.378 -7.619 -4.609 460 HB3 ASP 55 1HB ASP 55 -7.129 -9.068 -3.643 461 H SER 56 H SER 56 -4.850 -8.823 -1.921 462 HA SER 56 HA SER 56 -5.815 -9.821 0.567 463 HB2 SER 56 2HB SER 56 -4.193 -11.067 -0.830 464 HB3 SER 56 1HB SER 56 -2.979 -9.816 -0.561 465 HG SER 56 HG SER 56 -2.583 -11.404 0.921 466 H VAL 57 H VAL 57 -3.467 -7.333 -0.356 467 HA VAL 57 HA VAL 57 -2.639 -6.490 2.196 468 HB VAL 57 HB VAL 57 -2.729 -5.031 -0.488 469 HG11 VAL 57 1HG1 VAL 57 -1.481 -4.018 2.094 470 HG12 VAL 57 2HG1 VAL 57 -2.857 -3.309 1.247 471 HG13 VAL 57 3HG1 VAL 57 -1.262 -3.292 0.500 472 HG21 VAL 57 3HG2 VAL 57 -1.133 -6.910 -0.352 473 HG22 VAL 57 1HG2 VAL 57 -0.393 -6.194 1.081 474 HG23 VAL 57 2HG2 VAL 57 -0.278 -5.371 -0.477 475 H ALA 58 H ALA 58 -5.251 -5.388 0.070 476 HA ALA 58 HA ALA 58 -6.124 -3.234 1.717 477 HB1 ALA 58 3HB ALA 58 -6.417 -3.260 -0.717 478 HB2 ALA 58 1HB ALA 58 -7.957 -3.045 0.111 479 HB3 ALA 58 2HB ALA 58 -7.541 -4.615 -0.587 480 H ASN 59 H ASN 59 -6.925 -6.649 1.541 481 HA ASN 59 HA ASN 59 -9.276 -6.686 3.123 482 HB2 ASN 59 2HB ASN 59 -8.490 -8.639 1.793 483 HB3 ASN 59 1HB ASN 59 -7.090 -8.806 2.850 484 HD21 ASN 59 1HD2 ASN 59 -7.513 -10.781 3.716 485 HD22 ASN 59 2HD2 ASN 59 -8.910 -11.168 4.655 486 H TYR 60 H TYR 60 -5.814 -6.973 3.924 487 HA TYR 60 HA TYR 60 -6.070 -7.037 6.753 488 HB2 TYR 60 2HB TYR 60 -3.799 -6.406 4.850 489 HB3 TYR 60 1HB TYR 60 -3.598 -6.007 6.549 490 HD1 TYR 60 HD1 TYR 60 -4.514 -8.062 8.146 491 HD2 TYR 60 HD2 TYR 60 -2.763 -8.450 4.262 492 HE1 TYR 60 HE1 TYR 60 -3.790 -10.322 8.700 493 HE2 TYR 60 HE2 TYR 60 -2.031 -10.730 4.821 494 HH TYR 60 HH TYR 60 -3.184 -12.445 7.447 495 H LEU 61 H LEU 61 -5.757 -4.367 4.431 496 HA LEU 61 HA LEU 61 -5.403 -2.268 6.284 497 HB2 LEU 61 2HB LEU 61 -6.590 -2.229 3.479 498 HB3 LEU 61 1HB LEU 61 -6.192 -0.790 4.398 499 HG LEU 61 HG LEU 61 -4.209 -2.864 3.403 500 HD11 LEU 61 1HD1 LEU 61 -4.636 0.002 2.513 501 HD12 LEU 61 2HD1 LEU 61 -5.078 -1.450 1.610 502 HD13 LEU 61 3HD1 LEU 61 -3.381 -1.096 1.926 503 HD21 LEU 61 3HD2 LEU 61 -3.664 -0.330 4.987 504 HD22 LEU 61 1HD2 LEU 61 -2.437 -1.352 4.233 505 HD23 LEU 61 2HD2 LEU 61 -3.429 -1.991 5.541 506 H HIS 62 H HIS 62 -8.322 -3.719 4.886 507 HA HIS 62 HA HIS 62 -10.266 -2.038 6.098 508 HB2 HIS 62 2HB HIS 62 -10.896 -3.475 4.232 509 HB3 HIS 62 1HB HIS 62 -10.418 -4.926 5.109 510 HD1 HIS 62 HD1 HIS 62 -12.573 -6.151 5.384 511 HD2 HIS 62 HD2 HIS 62 -12.984 -2.143 6.397 512 HE1 HIS 62 HE1 HIS 62 -14.898 -5.917 6.296 513 HE2 HIS 62 HE2 HIS 62 -15.165 -3.467 6.756 514 H ALA 63 H ALA 63 -8.855 -5.156 7.105 515 HA ALA 63 HA ALA 63 -10.461 -5.592 9.387 516 HB1 ALA 63 3HB ALA 63 -7.678 -6.661 8.780 517 HB2 ALA 63 1HB ALA 63 -9.203 -7.356 8.225 518 HB3 ALA 63 2HB ALA 63 -8.825 -7.335 9.947 519 H LEU 64 H LEU 64 -7.271 -4.110 9.022 520 HA LEU 64 HA LEU 64 -6.838 -3.692 11.856 521 HB2 LEU 64 2HB LEU 64 -5.297 -2.673 9.428 522 HB3 LEU 64 1HB LEU 64 -4.761 -2.529 11.094 523 HG LEU 64 HG LEU 64 -5.131 -5.165 9.617 524 HD11 LEU 64 1HD1 LEU 64 -3.261 -3.879 8.687 525 HD12 LEU 64 2HD1 LEU 64 -2.687 -5.299 9.555 526 HD13 LEU 64 3HD1 LEU 64 -2.555 -3.701 10.298 527 HD21 LEU 64 3HD2 LEU 64 -5.486 -5.443 12.014 528 HD22 LEU 64 1HD2 LEU 64 -3.960 -4.629 12.366 529 HD23 LEU 64 2HD2 LEU 64 -3.964 -6.186 11.533 530 H GLY 65 H GLY 65 -8.527 -1.977 9.410 531 HA2 GLY 65 2HA GLY 65 -9.434 0.138 9.307 532 HA3 GLY 65 1HA GLY 65 -8.789 0.480 10.907 533 H GLY 66 H GLY 66 -6.465 -0.748 8.757 534 HA2 GLY 66 2HA GLY 66 -4.969 1.726 8.695 535 HA3 GLY 66 1HA GLY 66 -4.457 0.165 8.073 536 H ALA 67 H ALA 67 -7.410 0.543 6.742 537 HA ALA 67 HA ALA 67 -6.532 1.102 4.135 538 HB1 ALA 67 3HB ALA 67 -8.562 -0.189 4.643 539 HB2 ALA 67 1HB ALA 67 -8.905 1.143 3.537 540 HB3 ALA 67 2HB ALA 67 -9.356 1.268 5.243 541 H VAL 68 H VAL 68 -8.300 3.079 6.483 542 HA VAL 68 HA VAL 68 -8.511 5.450 4.955 543 HB VAL 68 HB VAL 68 -8.469 5.164 8.005 544 HG11 VAL 68 1HG1 VAL 68 -8.219 7.513 7.281 545 HG12 VAL 68 2HG1 VAL 68 -9.790 7.251 8.038 546 HG13 VAL 68 3HG1 VAL 68 -9.668 7.373 6.281 547 HG21 VAL 68 3HG2 VAL 68 -10.151 3.686 6.968 548 HG22 VAL 68 1HG2 VAL 68 -10.852 5.063 6.117 549 HG23 VAL 68 2HG2 VAL 68 -10.916 4.986 7.881 550 H GLN 69 H GLN 69 -5.952 4.130 6.986 551 HA GLN 69 HA GLN 69 -4.384 6.481 7.326 552 HB2 GLN 69 2HB GLN 69 -3.388 3.597 7.288 553 HB3 GLN 69 1HB GLN 69 -2.573 4.980 8.013 554 HG2 GLN 69 2HG GLN 69 -5.177 3.742 8.932 555 HG3 GLN 69 1HG GLN 69 -3.611 3.598 9.726 556 HE21 GLN 69 1HE2 GLN 69 -6.078 4.555 10.840 557 HE22 GLN 69 2HE2 GLN 69 -5.790 6.169 11.377 558 H VAL 70 H VAL 70 -4.260 3.826 4.943 559 HA VAL 70 HA VAL 70 -2.050 4.768 3.426 560 HB VAL 70 HB VAL 70 -4.340 2.902 2.606 561 HG11 VAL 70 1HG1 VAL 70 -3.208 3.779 0.598 562 HG12 VAL 70 2HG1 VAL 70 -2.834 2.073 0.830 563 HG13 VAL 70 3HG1 VAL 70 -1.638 3.300 1.251 564 HG21 VAL 70 3HG2 VAL 70 -1.559 2.273 3.653 565 HG22 VAL 70 1HG2 VAL 70 -2.753 1.085 3.121 566 HG23 VAL 70 2HG2 VAL 70 -3.074 2.082 4.539 567 H LYS 71 H LYS 71 -5.566 5.112 3.048 568 HA LYS 71 HA LYS 71 -5.598 6.442 0.571 569 HB2 LYS 71 2HB LYS 71 -7.622 6.413 2.843 570 HB3 LYS 71 1HB LYS 71 -7.932 7.160 1.277 571 HG2 LYS 71 2HG LYS 71 -7.658 4.987 0.157 572 HG3 LYS 71 1HG LYS 71 -7.274 4.231 1.701 573 HD2 LYS 71 2HD LYS 71 -9.566 3.705 1.174 574 HD3 LYS 71 1HD LYS 71 -9.573 4.844 2.518 575 HE2 LYS 71 2HE LYS 71 -9.988 5.682 -0.369 576 HE3 LYS 71 1HE LYS 71 -11.303 5.246 0.711 577 HZ1 LYS 71 3HZ LYS 71 -9.460 7.554 0.978 578 HZ2 LYS 71 1HZ LYS 71 -10.513 7.067 2.206 579 HZ3 LYS 71 2HZ LYS 71 -11.128 7.582 0.721 580 H THR 72 H THR 72 -5.916 7.776 3.873 581 HA THR 72 HA THR 72 -5.941 10.497 3.260 582 HB THR 72 HB THR 72 -5.012 9.059 5.792 583 HG1 THR 72 HG1 THR 72 -7.243 8.858 5.037 584 HG21 THR 72 3HG2 THR 72 -5.421 11.201 6.979 585 HG22 THR 72 1HG2 THR 72 -5.693 12.011 5.437 586 HG23 THR 72 2HG2 THR 72 -4.098 11.354 5.825 587 H PHE 73 H PHE 73 -3.190 8.334 3.954 588 HA PHE 73 HA PHE 73 -1.174 10.310 4.066 589 HB2 PHE 73 2HB PHE 73 -0.915 7.959 4.936 590 HB3 PHE 73 1HB PHE 73 -0.802 7.378 3.279 591 HD1 PHE 73 HD2 PHE 73 0.918 9.206 5.972 592 HD2 PHE 73 HD1 PHE 73 1.247 7.813 1.940 593 HE1 PHE 73 HE2 PHE 73 3.342 9.611 6.023 594 HE2 PHE 73 HE1 PHE 73 3.671 8.228 2.004 595 HZ PHE 73 HZ PHE 73 4.719 9.123 4.042 596 H ILE 74 H ILE 74 -1.978 8.031 1.389 597 HA ILE 74 HA ILE 74 -0.104 9.071 -0.443 598 HB ILE 74 HB ILE 74 -2.575 7.358 -0.973 599 HG12 ILE 74 2HG1 ILE 74 0.391 6.643 -0.648 600 HG13 ILE 74 1HG1 ILE 74 -0.907 6.243 0.472 601 HG21 ILE 74 1HG2 ILE 74 -1.565 6.808 -3.174 602 HG22 ILE 74 2HG2 ILE 74 -0.269 7.965 -2.867 603 HG23 ILE 74 3HG2 ILE 74 -1.928 8.532 -3.047 604 HD11 ILE 74 3HD1 ILE 74 -1.897 4.775 -1.227 605 HD12 ILE 74 1HD1 ILE 74 -0.252 4.309 -0.801 606 HD13 ILE 74 2HD1 ILE 74 -0.561 5.154 -2.316 607 H THR 75 H THR 75 -3.527 9.857 0.099 608 HA THR 75 HA THR 75 -3.932 11.543 -2.155 609 HB THR 75 HB THR 75 -5.368 11.507 0.546 610 HG1 THR 75 HG1 THR 75 -5.360 9.619 -1.010 611 HG21 THR 75 3HG2 THR 75 -5.827 13.660 -0.571 612 HG22 THR 75 1HG2 THR 75 -7.257 12.625 -0.643 613 HG23 THR 75 2HG2 THR 75 -6.233 12.822 -2.068 614 H GLN 76 H GLN 76 -2.657 12.175 1.092 615 HA GLN 76 HA GLN 76 -2.553 15.082 0.605 616 HB2 GLN 76 2HB GLN 76 -2.114 13.443 3.136 617 HB3 GLN 76 1HB GLN 76 -1.905 15.191 3.056 618 HG2 GLN 76 2HG GLN 76 -4.305 15.431 2.417 619 HG3 GLN 76 1HG GLN 76 -4.493 13.682 2.559 620 HE21 GLN 76 1HE2 GLN 76 -6.096 14.007 4.154 621 HE22 GLN 76 2HE2 GLN 76 -5.681 14.440 5.773 622 H THR 77 H THR 77 -0.435 12.408 0.294 623 HA THR 77 HA THR 77 1.955 14.100 0.683 624 HB THR 77 HB THR 77 1.947 11.702 1.619 625 HG1 THR 77 HG1 THR 77 3.987 12.263 1.551 626 HG21 THR 77 3HG2 THR 77 2.385 10.909 -1.289 627 HG22 THR 77 1HG2 THR 77 0.943 10.542 -0.341 628 HG23 THR 77 2HG2 THR 77 2.496 9.854 0.124 629 H LYS 78 H LYS 78 3.541 14.231 -0.993 630 HA LYS 78 HA LYS 78 2.692 13.629 -3.763 631 HB2 LYS 78 2HB LYS 78 4.091 16.160 -2.758 632 HB3 LYS 78 1HB LYS 78 3.832 15.769 -4.456 633 HG2 LYS 78 2HG LYS 78 1.415 15.959 -4.199 634 HG3 LYS 78 1HG LYS 78 1.579 16.136 -2.449 635 HD2 LYS 78 2HD LYS 78 1.141 18.322 -3.442 636 HD3 LYS 78 1HD LYS 78 2.782 18.297 -2.796 637 HE2 LYS 78 2HE LYS 78 3.630 17.850 -5.119 638 HE3 LYS 78 1HE LYS 78 1.977 18.027 -5.716 639 HZ1 LYS 78 3HZ LYS 78 3.178 20.076 -5.983 640 HZ2 LYS 78 1HZ LYS 78 3.584 20.124 -4.343 641 HZ3 LYS 78 2HZ LYS 78 1.972 20.297 -4.828 642 H GLU 79 H GLU 79 4.294 12.186 -1.755 643 HA GLU 79 HA GLU 79 7.022 12.265 -2.859 644 HB2 GLU 79 2HB GLU 79 5.860 10.936 -0.375 645 HB3 GLU 79 1HB GLU 79 7.514 10.673 -0.923 646 HG2 GLU 79 2HG GLU 79 6.312 13.323 -0.099 647 HG3 GLU 79 1HG GLU 79 7.437 12.353 0.843 648 H ARG 80 H ARG 80 7.696 10.821 -4.230 649 HA ARG 80 HA ARG 80 5.978 8.550 -4.990 650 HB2 ARG 80 2HB ARG 80 8.260 9.887 -6.523 651 HB3 ARG 80 1HB ARG 80 7.284 8.538 -7.101 652 HG2 ARG 80 2HG ARG 80 5.257 10.051 -6.895 653 HG3 ARG 80 1HG ARG 80 6.379 11.374 -6.600 654 HD2 ARG 80 2HD ARG 80 5.662 11.237 -8.979 655 HD3 ARG 80 1HD ARG 80 7.411 11.046 -8.782 656 HE ARG 80 HE ARG 80 5.947 8.550 -8.824 657 HH11 ARG 80 1HH1 ARG 80 7.544 10.946 -10.872 658 HH12 ARG 80 2HH1 ARG 80 7.798 9.814 -12.170 659 HH21 ARG 80 1HH2 ARG 80 6.356 7.085 -10.477 660 HH22 ARG 80 2HH2 ARG 80 7.130 7.622 -11.945 661 HA PRO 81 HA PRO 81 9.221 5.650 -3.597 662 HB2 PRO 81 2HB PRO 81 8.432 3.448 -5.070 663 HB3 PRO 81 1HB PRO 81 7.617 3.963 -3.586 664 HG2 PRO 81 2HG PRO 81 6.804 4.410 -6.419 665 HG3 PRO 81 1HG PRO 81 5.800 4.011 -5.011 666 HD2 PRO 81 2HD PRO 81 6.002 6.552 -6.031 667 HD3 PRO 81 1HD PRO 81 5.671 6.216 -4.315 668 H ARG 82 H ARG 82 11.193 5.062 -4.373 669 HA ARG 82 HA ARG 82 11.921 5.372 -7.218 670 HB2 ARG 82 2HB ARG 82 12.247 7.556 -5.998 671 HB3 ARG 82 1HB ARG 82 13.323 6.759 -4.867 672 HG2 ARG 82 2HG ARG 82 14.034 6.663 -7.793 673 HG3 ARG 82 1HG ARG 82 14.234 8.188 -6.939 674 HD2 ARG 82 2HD ARG 82 15.736 7.066 -5.309 675 HD3 ARG 82 1HD ARG 82 15.543 5.545 -6.188 676 HE ARG 82 HE ARG 82 16.508 7.753 -7.787 677 HH11 ARG 82 1HH1 ARG 82 17.495 5.041 -5.753 678 HH12 ARG 82 2HH1 ARG 82 19.088 4.962 -6.437 679 HH21 ARG 82 1HH2 ARG 82 18.623 7.657 -8.634 680 HH22 ARG 82 2HH2 ARG 82 19.718 6.439 -8.064 681 H LEU 83 H LEU 83 14.147 4.412 -7.615 682 HA LEU 83 HA LEU 83 14.279 1.783 -6.765 683 HB2 LEU 83 2HB LEU 83 15.325 2.766 -8.839 684 HB3 LEU 83 1HB LEU 83 16.592 3.445 -7.831 685 HG LEU 83 HG LEU 83 17.335 1.153 -7.194 686 HD11 LEU 83 1HD1 LEU 83 15.207 -0.031 -7.351 687 HD12 LEU 83 2HD1 LEU 83 16.427 -0.830 -8.338 688 HD13 LEU 83 3HD1 LEU 83 15.191 0.173 -9.104 689 HD21 LEU 83 3HD2 LEU 83 17.157 1.539 -10.199 690 HD22 LEU 83 1HD2 LEU 83 18.300 0.489 -9.356 691 HD23 LEU 83 2HD2 LEU 83 18.382 2.237 -9.137 692 H GLY 84 H GLY 84 14.479 1.201 -4.682 693 HA2 GLY 84 2HA GLY 84 15.855 0.614 -2.826 694 HA3 GLY 84 1HA GLY 84 16.824 2.063 -3.072 695 H LYS 85 H LYS 85 14.478 3.778 -3.407 696 HA LYS 85 HA LYS 85 13.930 4.360 -0.602 697 HB2 LYS 85 2HB LYS 85 14.683 6.196 -2.037 698 HB3 LYS 85 1HB LYS 85 13.397 5.892 -3.201 699 HG2 LYS 85 2HG LYS 85 12.880 7.867 -1.885 700 HG3 LYS 85 1HG LYS 85 11.718 6.591 -1.513 701 HD2 LYS 85 2HD LYS 85 12.979 6.075 0.569 702 HD3 LYS 85 1HD LYS 85 14.111 7.383 0.206 703 HE2 LYS 85 2HE LYS 85 11.128 7.708 0.691 704 HE3 LYS 85 1HE LYS 85 12.402 8.057 1.858 705 HZ1 LYS 85 3HZ LYS 85 13.240 9.763 0.353 706 HZ2 LYS 85 1HZ LYS 85 11.634 10.058 0.781 707 HZ3 LYS 85 2HZ LYS 85 11.998 9.427 -0.738 708 H ALA 86 H ALA 86 12.179 3.373 0.282 709 HA ALA 86 HA ALA 86 9.732 2.866 -1.289 710 HB1 ALA 86 3HB ALA 86 10.508 1.942 1.504 711 HB2 ALA 86 1HB ALA 86 10.667 0.999 0.019 712 HB3 ALA 86 2HB ALA 86 9.065 1.450 0.605 713 H VAL 87 H VAL 87 7.761 3.743 -0.726 714 HA VAL 87 HA VAL 87 7.693 6.043 1.101 715 HB VAL 87 HB VAL 87 5.511 4.899 -0.723 716 HG11 VAL 87 1HG1 VAL 87 4.260 6.994 -0.304 717 HG12 VAL 87 2HG1 VAL 87 5.497 7.509 0.845 718 HG13 VAL 87 3HG1 VAL 87 4.510 6.089 1.192 719 HG21 VAL 87 3HG2 VAL 87 7.273 7.349 -1.094 720 HG22 VAL 87 1HG2 VAL 87 5.955 6.861 -2.164 721 HG23 VAL 87 2HG2 VAL 87 7.384 5.840 -2.001 722 H SER 88 H SER 88 7.880 5.122 3.110 723 HA SER 88 HA SER 88 6.379 2.809 3.975 724 HB2 SER 88 2HB SER 88 8.698 3.314 4.790 725 HB3 SER 88 1HB SER 88 8.084 4.753 5.605 726 HG SER 88 HG SER 88 7.300 3.538 7.142 727 H ILE 89 H ILE 89 4.234 3.125 4.184 728 HA ILE 89 HA ILE 89 3.076 5.610 5.193 729 HB ILE 89 HB ILE 89 1.709 3.005 4.351 730 HG12 ILE 89 2HG1 ILE 89 2.071 5.578 2.732 731 HG13 ILE 89 1HG1 ILE 89 3.016 4.110 2.502 732 HG21 ILE 89 1HG2 ILE 89 0.278 4.352 5.844 733 HG22 ILE 89 2HG2 ILE 89 -0.367 4.360 4.203 734 HG23 ILE 89 3HG2 ILE 89 0.506 5.766 4.813 735 HD11 ILE 89 3HD1 ILE 89 1.304 4.296 0.838 736 HD12 ILE 89 1HD1 ILE 89 0.050 4.395 2.076 737 HD13 ILE 89 2HD1 ILE 89 0.985 2.909 1.878 738 HA PRO 90 HA PRO 90 3.087 3.662 9.371 739 HB2 PRO 90 2HB PRO 90 2.345 5.918 10.767 740 HB3 PRO 90 1HB PRO 90 4.010 5.644 10.214 741 HG2 PRO 90 2HG PRO 90 1.871 7.337 8.960 742 HG3 PRO 90 1HG PRO 90 3.595 7.706 9.208 743 HD2 PRO 90 2HD PRO 90 2.622 6.864 6.805 744 HD3 PRO 90 1HD PRO 90 4.265 6.467 7.357 745 H LEU 91 H LEU 91 1.390 2.322 9.597 746 HA LEU 91 HA LEU 91 -1.355 3.217 9.078 747 HB2 LEU 91 2HB LEU 91 -0.363 0.456 9.863 748 HB3 LEU 91 1HB LEU 91 -1.961 0.858 9.258 749 HG LEU 91 HG LEU 91 0.649 0.922 7.688 750 HD11 LEU 91 1HD1 LEU 91 -0.211 -1.329 8.048 751 HD12 LEU 91 2HD1 LEU 91 -0.374 -0.869 6.356 752 HD13 LEU 91 3HD1 LEU 91 -1.790 -0.855 7.412 753 HD21 LEU 91 3HD2 LEU 91 -2.125 1.718 6.756 754 HD22 LEU 91 1HD2 LEU 91 -0.713 1.513 5.713 755 HD23 LEU 91 2HD2 LEU 91 -0.726 2.778 6.938 756 H ASP 92 H ASP 92 -1.900 4.509 10.761 757 HA ASP 92 HA ASP 92 -1.270 4.054 13.495 758 HB2 ASP 92 2HB ASP 92 -1.807 6.330 12.901 759 HB3 ASP 92 1HB ASP 92 -3.356 5.862 12.208 760 H LEU 93 H LEU 93 -1.896 2.234 14.375 761 HA LEU 93 HA LEU 93 -4.750 1.454 14.321 762 HB2 LEU 93 2HB LEU 93 -2.363 -0.136 15.331 763 HB3 LEU 93 1HB LEU 93 -4.011 -0.715 15.152 764 HG LEU 93 HG LEU 93 -1.970 -0.151 12.972 765 HD11 LEU 93 1HD1 LEU 93 -1.859 -2.341 13.968 766 HD12 LEU 93 2HD1 LEU 93 -2.496 -2.477 12.332 767 HD13 LEU 93 3HD1 LEU 93 -3.588 -2.597 13.717 768 HD21 LEU 93 3HD2 LEU 93 -4.011 0.873 12.127 769 HD22 LEU 93 1HD2 LEU 93 -4.946 -0.568 12.529 770 HD23 LEU 93 2HD2 LEU 93 -3.712 -0.635 11.269 771 H GLY 94 H GLY 94 -3.004 3.562 15.946 772 HA2 GLY 94 2HA GLY 94 -3.317 2.948 18.702 773 HA3 GLY 94 1HA GLY 94 -3.117 4.553 18.006 774 H GLU 95 H GLU 95 -5.152 5.239 16.655 775 HA GLU 95 HA GLU 95 -7.459 5.343 18.366 776 HB2 GLU 95 2HB GLU 95 -6.957 7.250 16.962 777 HB3 GLU 95 1HB GLU 95 -6.927 6.258 15.510 778 HG2 GLU 95 2HG GLU 95 -8.939 7.590 15.501 779 HG3 GLU 95 1HG GLU 95 -9.391 5.904 15.735 780 H ARG 96 H ARG 96 -6.584 3.575 15.432 781 HA ARG 96 HA ARG 96 -9.172 2.626 14.761 782 HB2 ARG 96 2HB ARG 96 -6.391 1.795 13.868 783 HB3 ARG 96 1HB ARG 96 -7.856 1.091 13.190 784 HG2 ARG 96 2HG ARG 96 -7.150 4.047 13.109 785 HG3 ARG 96 1HG ARG 96 -6.935 2.912 11.774 786 HD2 ARG 96 2HD ARG 96 -9.314 2.553 11.603 787 HD3 ARG 96 1HD ARG 96 -9.618 3.467 13.078 788 HE ARG 96 HE ARG 96 -8.405 5.213 11.267 789 HH11 ARG 96 1HH1 ARG 96 -11.406 3.349 11.537 790 HH12 ARG 96 2HH1 ARG 96 -12.322 4.488 10.595 791 HH21 ARG 96 1HH2 ARG 96 -9.657 6.706 10.089 792 HH22 ARG 96 2HH2 ARG 96 -11.335 6.379 9.780 793 H ALA 97 H ALA 97 -6.915 1.434 17.101 794 HA ALA 97 HA ALA 97 -7.683 -1.293 17.251 795 HB1 ALA 97 3HB ALA 97 -6.747 -1.253 19.521 796 HB2 ALA 97 1HB ALA 97 -6.725 0.517 19.493 797 HB3 ALA 97 2HB ALA 97 -5.696 -0.401 18.390 798 H SER 98 H SER 98 -9.123 1.640 18.517 799 HA SER 98 HA SER 98 -10.749 0.403 20.504 800 HB2 SER 98 2HB SER 98 -9.903 2.741 20.684 801 HB3 SER 98 1HB SER 98 -10.938 3.209 19.338 802 HG SER 98 HG SER 98 -12.736 2.512 20.646 803 H GLU 99 H GLU 99 -11.101 0.464 17.163 804 HA GLU 99 HA GLU 99 -13.985 0.563 17.003 805 HB2 GLU 99 2HB GLU 99 -11.958 -0.437 14.962 806 HB3 GLU 99 1HB GLU 99 -13.666 -0.132 14.655 807 HG2 GLU 99 2HG GLU 99 -13.268 2.292 15.262 808 HG3 GLU 99 1HG GLU 99 -11.541 1.929 15.332 809 H TRP 100 H TRP 100 -11.526 -2.057 17.119 810 HA TRP 100 HA TRP 100 -13.666 -4.076 17.063 811 HB2 TRP 100 2HB TRP 100 -11.918 -5.775 16.853 812 HB3 TRP 100 1HB TRP 100 -11.758 -4.540 15.617 813 HD1 TRP 100 HD1 TRP 100 -9.712 -2.702 16.077 814 HE1 TRP 100 HE1 TRP 100 -7.357 -3.144 16.986 815 HE3 TRP 100 HE3 TRP 100 -10.578 -7.134 18.458 816 HZ2 TRP 100 HZ2 TRP 100 -6.030 -5.086 18.508 817 HZ3 TRP 100 HZ3 TRP 100 -8.702 -8.235 19.616 818 HH2 TRP 100 HH2 TRP 100 -6.470 -7.228 19.639 819 H ILE 101 H ILE 101 -11.896 -2.346 19.392 820 HA ILE 101 HA ILE 101 -12.781 -4.150 21.531 821 HB ILE 101 HB ILE 101 -11.313 -1.455 21.636 822 HG12 ILE 101 2HG1 ILE 101 -9.568 -2.769 22.912 823 HG13 ILE 101 1HG1 ILE 101 -10.480 -4.239 22.619 824 HG21 ILE 101 1HG2 ILE 101 -12.941 -1.438 23.453 825 HG22 ILE 101 2HG2 ILE 101 -11.331 -1.685 24.124 826 HG23 ILE 101 3HG2 ILE 101 -12.442 -3.050 23.977 827 HD11 ILE 101 3HD1 ILE 101 -8.595 -4.097 21.142 828 HD12 ILE 101 1HD1 ILE 101 -9.121 -2.517 20.559 829 HD13 ILE 101 2HD1 ILE 101 -10.082 -3.954 20.204 830 H ILE 102 H ILE 102 -14.995 -4.149 21.424 831 HA ILE 102 HA ILE 102 -16.481 -1.593 21.418 832 HB ILE 102 HB ILE 102 -17.437 -4.468 21.002 833 HG12 ILE 102 2HG1 ILE 102 -16.216 -3.476 19.081 834 HG13 ILE 102 1HG1 ILE 102 -17.912 -3.736 18.691 835 HG21 ILE 102 1HG2 ILE 102 -19.675 -3.521 20.500 836 HG22 ILE 102 2HG2 ILE 102 -19.122 -1.923 21.004 837 HG23 ILE 102 3HG2 ILE 102 -19.210 -3.239 22.177 838 HD11 ILE 102 3HD1 ILE 102 -17.118 -1.632 17.784 839 HD12 ILE 102 1HD1 ILE 102 -16.627 -1.088 19.386 840 HD13 ILE 102 2HD1 ILE 102 -18.338 -1.324 19.019 841 H LEU 103 H LEU 103 -16.368 -0.817 23.421 842 HA LEU 103 HA LEU 103 -17.552 -2.387 25.641 843 HB2 LEU 103 2HB LEU 103 -15.463 -0.164 25.773 844 HB3 LEU 103 1HB LEU 103 -16.306 -0.798 27.178 845 HG LEU 103 HG LEU 103 -14.426 -2.403 25.392 846 HD11 LEU 103 1HD1 LEU 103 -13.226 -0.743 26.747 847 HD12 LEU 103 2HD1 LEU 103 -12.874 -2.381 27.282 848 HD13 LEU 103 3HD1 LEU 103 -13.984 -1.370 28.213 849 HD21 LEU 103 3HD2 LEU 103 -16.175 -3.837 26.327 850 HD22 LEU 103 1HD2 LEU 103 -15.833 -3.236 27.952 851 HD23 LEU 103 2HD2 LEU 103 -14.624 -4.186 27.084 852 H GLU 104 H GLU 104 -19.605 -1.787 25.760 853 HA GLU 104 HA GLU 104 -20.390 0.931 26.216 854 HB2 GLU 104 2HB GLU 104 -22.072 1.001 24.315 855 HB3 GLU 104 1HB GLU 104 -20.392 1.113 23.814 856 HG2 GLU 104 2HG GLU 104 -20.434 -1.278 23.149 857 HG3 GLU 104 1HG GLU 104 -22.127 -1.372 23.624 Start of MODEL 10 1 H1 MET 1 1H MET 1 -10.674 -3.121 2.460 2 H2 MET 1 2H MET 1 -12.268 -2.859 1.960 3 H3 MET 1 3H MET 1 -11.430 -1.646 2.770 4 HA MET 1 HA MET 1 -11.589 -1.201 0.414 5 HB2 MET 1 2HB MET 1 -9.629 -0.359 1.707 6 HB3 MET 1 1HB MET 1 -8.764 -1.856 1.391 7 HG2 MET 1 2HG MET 1 -8.914 -1.279 -1.084 8 HG3 MET 1 1HG MET 1 -9.512 0.304 -0.593 9 HE1 MET 1 3HE MET 1 -6.396 1.744 1.338 10 HE2 MET 1 1HE MET 1 -7.777 0.896 2.031 11 HE3 MET 1 2HE MET 1 -8.022 2.092 0.756 12 H THR 2 H THR 2 -11.438 -1.979 -1.704 13 HA THR 2 HA THR 2 -10.665 -4.804 -2.096 14 HB THR 2 HB THR 2 -12.804 -4.314 -3.092 15 HG1 THR 2 HG1 THR 2 -11.528 -5.657 -4.377 16 HG21 THR 2 3HG2 THR 2 -12.662 -1.862 -3.297 17 HG22 THR 2 1HG2 THR 2 -13.173 -2.595 -4.820 18 HG23 THR 2 2HG2 THR 2 -11.511 -2.038 -4.623 19 H GLY 3 H GLY 3 -9.278 -5.369 -3.883 20 HA2 GLY 3 2HA GLY 3 -6.859 -3.951 -4.057 21 HA3 GLY 3 1HA GLY 3 -7.355 -5.257 -5.124 22 H GLN 4 H GLN 4 -9.804 -3.557 -5.830 23 HA GLN 4 HA GLN 4 -8.894 -2.181 -8.115 24 HB2 GLN 4 2HB GLN 4 -11.216 -2.953 -7.901 25 HB3 GLN 4 1HB GLN 4 -11.480 -1.890 -6.526 26 HG2 GLN 4 2HG GLN 4 -11.156 0.079 -8.025 27 HG3 GLN 4 1HG GLN 4 -10.980 -1.026 -9.391 28 HE21 GLN 4 1HE2 GLN 4 -12.786 -0.059 -10.420 29 HE22 GLN 4 2HE2 GLN 4 -14.405 -0.356 -9.885 30 H GLU 5 H GLU 5 -10.185 -0.835 -5.031 31 HA GLU 5 HA GLU 5 -9.681 1.869 -5.555 32 HB2 GLU 5 2HB GLU 5 -9.746 0.455 -2.856 33 HB3 GLU 5 1HB GLU 5 -9.870 2.198 -3.085 34 HG2 GLU 5 2HG GLU 5 -11.987 1.922 -4.285 35 HG3 GLU 5 1HG GLU 5 -11.845 0.167 -4.154 36 H LEU 6 H LEU 6 -7.599 -0.614 -4.228 37 HA LEU 6 HA LEU 6 -5.592 1.078 -3.154 38 HB2 LEU 6 2HB LEU 6 -6.082 -1.275 -2.424 39 HB3 LEU 6 1HB LEU 6 -5.372 -1.851 -3.920 40 HG LEU 6 HG LEU 6 -3.158 -1.083 -3.257 41 HD11 LEU 6 1HD1 LEU 6 -2.678 -0.002 -1.106 42 HD12 LEU 6 2HD1 LEU 6 -4.406 0.116 -0.762 43 HD13 LEU 6 3HD1 LEU 6 -3.709 1.007 -2.118 44 HD21 LEU 6 3HD2 LEU 6 -2.766 -2.496 -1.286 45 HD22 LEU 6 1HD2 LEU 6 -3.851 -3.276 -2.437 46 HD23 LEU 6 2HD2 LEU 6 -4.501 -2.547 -0.965 47 H ARG 7 H ARG 7 -5.716 -0.829 -6.255 48 HA ARG 7 HA ARG 7 -3.222 0.179 -7.232 49 HB2 ARG 7 2HB ARG 7 -3.939 -0.545 -9.513 50 HB3 ARG 7 1HB ARG 7 -4.065 -1.817 -8.315 51 HG2 ARG 7 2HG ARG 7 -6.397 -1.843 -8.365 52 HG3 ARG 7 1HG ARG 7 -6.510 -0.187 -8.957 53 HD2 ARG 7 2HD ARG 7 -7.158 -1.953 -10.616 54 HD3 ARG 7 1HD ARG 7 -5.905 -0.845 -11.167 55 HE ARG 7 HE ARG 7 -4.288 -2.656 -10.567 56 HH11 ARG 7 1HH1 ARG 7 -7.590 -3.479 -11.488 57 HH12 ARG 7 2HH1 ARG 7 -7.151 -5.044 -12.085 58 HH21 ARG 7 1HH2 ARG 7 -3.723 -4.668 -11.409 59 HH22 ARG 7 2HH2 ARG 7 -4.948 -5.720 -12.042 60 H GLN 8 H GLN 8 -6.573 1.301 -7.519 61 HA GLN 8 HA GLN 8 -6.134 3.217 -9.576 62 HB2 GLN 8 2HB GLN 8 -8.371 3.043 -7.506 63 HB3 GLN 8 1HB GLN 8 -8.375 4.129 -8.890 64 HG2 GLN 8 2HG GLN 8 -8.446 1.106 -8.959 65 HG3 GLN 8 1HG GLN 8 -9.757 2.204 -9.365 66 HE21 GLN 8 1HE2 GLN 8 -8.132 4.035 -10.939 67 HE22 GLN 8 2HE2 GLN 8 -7.706 3.192 -12.386 68 H LEU 9 H LEU 9 -5.778 3.306 -6.114 69 HA LEU 9 HA LEU 9 -5.529 6.122 -5.758 70 HB2 LEU 9 2HB LEU 9 -5.984 4.415 -3.946 71 HB3 LEU 9 1HB LEU 9 -4.325 3.870 -4.101 72 HG LEU 9 HG LEU 9 -3.513 6.081 -3.316 73 HD11 LEU 9 1HD1 LEU 9 -5.042 7.753 -2.393 74 HD12 LEU 9 2HD1 LEU 9 -6.431 6.810 -2.939 75 HD13 LEU 9 3HD1 LEU 9 -5.319 7.515 -4.117 76 HD21 LEU 9 3HD2 LEU 9 -4.186 5.860 -0.963 77 HD22 LEU 9 1HD2 LEU 9 -3.858 4.284 -1.684 78 HD23 LEU 9 2HD2 LEU 9 -5.525 4.808 -1.430 79 H LEU 10 H LEU 10 -3.262 3.503 -6.503 80 HA LEU 10 HA LEU 10 -0.850 5.084 -6.398 81 HB2 LEU 10 2HB LEU 10 -1.280 2.367 -7.708 82 HB3 LEU 10 1HB LEU 10 0.258 3.055 -7.219 83 HG LEU 10 HG LEU 10 -1.956 2.218 -5.308 84 HD11 LEU 10 1HD1 LEU 10 -0.542 0.310 -4.714 85 HD12 LEU 10 2HD1 LEU 10 0.628 0.774 -5.952 86 HD13 LEU 10 3HD1 LEU 10 -0.997 0.270 -6.417 87 HD21 LEU 10 3HD2 LEU 10 -0.627 4.029 -4.380 88 HD22 LEU 10 1HD2 LEU 10 0.867 3.146 -4.712 89 HD23 LEU 10 2HD2 LEU 10 -0.288 2.524 -3.530 90 H LEU 11 H LEU 11 -3.137 4.099 -8.868 91 HA LEU 11 HA LEU 11 -1.553 4.843 -11.174 92 HB2 LEU 11 2HB LEU 11 -4.452 3.986 -10.818 93 HB3 LEU 11 1HB LEU 11 -3.811 4.446 -12.386 94 HG LEU 11 HG LEU 11 -2.694 2.157 -10.721 95 HD11 LEU 11 1HD1 LEU 11 -4.635 1.977 -13.052 96 HD12 LEU 11 2HD1 LEU 11 -4.999 1.636 -11.358 97 HD13 LEU 11 3HD1 LEU 11 -3.856 0.620 -12.228 98 HD21 LEU 11 3HD2 LEU 11 -2.197 2.941 -13.614 99 HD22 LEU 11 1HD2 LEU 11 -1.557 1.507 -12.805 100 HD23 LEU 11 2HD2 LEU 11 -1.067 3.109 -12.270 101 H ASP 12 H ASP 12 -3.987 6.355 -9.158 102 HA ASP 12 HA ASP 12 -4.398 8.629 -10.899 103 HB2 ASP 12 2HB ASP 12 -6.167 7.828 -9.306 104 HB3 ASP 12 1HB ASP 12 -5.149 8.310 -7.954 105 H LYS 13 H LYS 13 -2.534 7.879 -7.972 106 HA LYS 13 HA LYS 13 -1.709 10.596 -7.521 107 HB2 LYS 13 2HB LYS 13 -2.068 8.875 -5.687 108 HB3 LYS 13 1HB LYS 13 -0.589 8.080 -6.214 109 HG2 LYS 13 2HG LYS 13 -0.219 9.530 -4.244 110 HG3 LYS 13 1HG LYS 13 0.725 10.067 -5.640 111 HD2 LYS 13 2HD LYS 13 -0.987 11.805 -6.116 112 HD3 LYS 13 1HD LYS 13 -1.913 11.274 -4.709 113 HE2 LYS 13 2HE LYS 13 -0.571 13.307 -4.278 114 HE3 LYS 13 1HE LYS 13 -0.110 11.966 -3.227 115 HZ1 LYS 13 3HZ LYS 13 1.782 11.542 -4.648 116 HZ2 LYS 13 1HZ LYS 13 1.809 13.144 -4.116 117 HZ3 LYS 13 2HZ LYS 13 1.330 12.784 -5.698 118 H TRP 14 H TRP 14 0.098 7.623 -8.398 119 HA TRP 14 HA TRP 14 2.378 9.310 -9.263 120 HB2 TRP 14 2HB TRP 14 2.307 6.428 -8.289 121 HB3 TRP 14 1HB TRP 14 3.753 7.233 -8.891 122 HD1 TRP 14 HD1 TRP 14 4.035 9.824 -7.418 123 HE1 TRP 14 HE1 TRP 14 4.183 10.016 -4.860 124 HE3 TRP 14 HE3 TRP 14 1.871 5.361 -6.107 125 HZ2 TRP 14 HZ2 TRP 14 3.498 8.519 -2.598 126 HZ3 TRP 14 HZ3 TRP 14 1.677 4.825 -3.708 127 HH2 TRP 14 HH2 TRP 14 2.472 6.370 -1.993 128 H GLY 15 H GLY 15 -0.034 7.142 -10.423 129 HA2 GLY 15 2HA GLY 15 -0.620 6.928 -12.681 130 HA3 GLY 15 1HA GLY 15 0.969 7.490 -13.156 131 H TYR 16 H TYR 16 1.148 5.043 -10.806 132 HA TYR 16 HA TYR 16 1.363 2.853 -12.754 133 HB2 TYR 16 2HB TYR 16 3.679 3.647 -10.932 134 HB3 TYR 16 1HB TYR 16 3.621 2.204 -11.932 135 HD1 TYR 16 HD1 TYR 16 3.558 2.476 -14.470 136 HD2 TYR 16 HD2 TYR 16 4.441 5.708 -11.830 137 HE1 TYR 16 HE1 TYR 16 4.521 3.750 -16.349 138 HE2 TYR 16 HE2 TYR 16 5.404 6.972 -13.697 139 HH TYR 16 HH TYR 16 6.298 6.666 -15.881 140 H SER 17 H SER 17 1.196 0.806 -11.841 141 HA SER 17 HA SER 17 -0.095 0.667 -9.230 142 HB2 SER 17 2HB SER 17 0.429 -1.515 -11.299 143 HB3 SER 17 1HB SER 17 -0.662 -1.619 -9.916 144 HG SER 17 HG SER 17 -0.931 -0.159 -12.304 145 H TYR 18 H TYR 18 1.714 1.064 -7.854 146 HA TYR 18 HA TYR 18 4.143 -0.499 -7.978 147 HB2 TYR 18 2HB TYR 18 3.097 1.508 -5.942 148 HB3 TYR 18 1HB TYR 18 4.676 0.735 -5.820 149 HD1 TYR 18 HD1 TYR 18 6.439 1.227 -7.470 150 HD2 TYR 18 HD2 TYR 18 2.734 3.339 -7.520 151 HE1 TYR 18 HE1 TYR 18 7.447 2.947 -8.886 152 HE2 TYR 18 HE2 TYR 18 3.745 5.062 -8.947 153 HH TYR 18 HH TYR 18 6.840 4.645 -10.415 154 H ASP 19 H ASP 19 4.851 -2.085 -6.539 155 HA ASP 19 HA ASP 19 2.944 -3.791 -5.316 156 HB2 ASP 19 2HB ASP 19 5.131 -4.661 -6.066 157 HB3 ASP 19 1HB ASP 19 5.964 -3.652 -4.891 158 H VAL 20 H VAL 20 2.042 -3.707 -3.348 159 HA VAL 20 HA VAL 20 3.148 -1.876 -1.286 160 HB VAL 20 HB VAL 20 0.788 -1.786 -0.373 161 HG11 VAL 20 1HG1 VAL 20 1.114 -0.745 -3.218 162 HG12 VAL 20 2HG1 VAL 20 1.650 0.063 -1.744 163 HG13 VAL 20 3HG1 VAL 20 -0.073 -0.170 -2.041 164 HG21 VAL 20 3HG2 VAL 20 0.046 -3.171 -2.984 165 HG22 VAL 20 1HG2 VAL 20 -1.100 -2.455 -1.846 166 HG23 VAL 20 2HG2 VAL 20 -0.125 -3.839 -1.360 167 H GLN 21 H GLN 21 3.830 -2.828 0.544 168 HA GLN 21 HA GLN 21 2.856 -5.489 1.332 169 HB2 GLN 21 2HB GLN 21 5.187 -6.333 1.657 170 HB3 GLN 21 1HB GLN 21 4.794 -6.036 -0.031 171 HG2 GLN 21 2HG GLN 21 6.080 -3.964 -0.013 172 HG3 GLN 21 1HG GLN 21 6.412 -4.154 1.709 173 HE21 GLN 21 1HE2 GLN 21 7.107 -5.394 -1.495 174 HE22 GLN 21 2HE2 GLN 21 8.526 -6.274 -1.055 175 H PHE 22 H PHE 22 2.995 -5.909 3.485 176 HA PHE 22 HA PHE 22 3.047 -3.647 5.251 177 HB2 PHE 22 2HB PHE 22 2.606 -6.624 5.724 178 HB3 PHE 22 1HB PHE 22 2.503 -5.415 6.995 179 HD1 PHE 22 HD1 PHE 22 0.811 -3.493 6.717 180 HD2 PHE 22 HD2 PHE 22 0.693 -7.061 4.355 181 HE1 PHE 22 HE1 PHE 22 -1.529 -3.031 6.124 182 HE2 PHE 22 HE2 PHE 22 -1.648 -6.586 3.772 183 HZ PHE 22 HZ PHE 22 -2.758 -4.570 4.650 184 H ARG 23 H ARG 23 4.242 -3.572 7.246 185 HA ARG 23 HA ARG 23 6.811 -4.968 7.360 186 HB2 ARG 23 2HB ARG 23 7.277 -2.954 5.995 187 HB3 ARG 23 1HB ARG 23 6.578 -1.919 7.237 188 HG2 ARG 23 2HG ARG 23 9.051 -1.897 7.270 189 HG3 ARG 23 1HG ARG 23 8.374 -2.492 8.785 190 HD2 ARG 23 2HD ARG 23 8.812 -4.829 8.027 191 HD3 ARG 23 1HD ARG 23 9.553 -4.194 6.554 192 HE ARG 23 HE ARG 23 11.140 -3.025 8.165 193 HH11 ARG 23 1HH1 ARG 23 9.732 -6.181 8.904 194 HH12 ARG 23 2HH1 ARG 23 11.058 -6.660 9.908 195 HH21 ARG 23 1HH2 ARG 23 12.887 -3.708 9.426 196 HH22 ARG 23 2HH2 ARG 23 12.845 -5.260 10.201 197 H ARG 24 H ARG 24 6.971 -5.670 9.349 198 HA ARG 24 HA ARG 24 5.648 -4.272 11.594 199 HB2 ARG 24 2HB ARG 24 6.492 -7.188 11.292 200 HB3 ARG 24 1HB ARG 24 5.786 -6.498 12.751 201 HG2 ARG 24 2HG ARG 24 3.722 -5.967 11.480 202 HG3 ARG 24 1HG ARG 24 4.438 -6.704 10.046 203 HD2 ARG 24 2HD ARG 24 4.570 -8.874 11.245 204 HD3 ARG 24 1HD ARG 24 3.810 -8.124 12.655 205 HE ARG 24 HE ARG 24 2.397 -8.064 10.083 206 HH11 ARG 24 1HH1 ARG 24 2.591 -9.391 13.344 207 HH12 ARG 24 2HH1 ARG 24 0.979 -10.029 13.309 208 HH21 ARG 24 1HH2 ARG 24 0.296 -8.950 10.025 209 HH22 ARG 24 2HH2 ARG 24 -0.322 -9.780 11.420 210 H THR 25 H THR 25 7.054 -3.011 12.614 211 HA THR 25 HA THR 25 9.472 -4.202 13.740 212 HB THR 25 HB THR 25 10.337 -3.104 11.713 213 HG1 THR 25 HG1 THR 25 11.577 -3.037 13.682 214 HG21 THR 25 3HG2 THR 25 10.233 -0.672 11.387 215 HG22 THR 25 1HG2 THR 25 9.210 -0.508 12.816 216 HG23 THR 25 2HG2 THR 25 8.610 -1.364 11.395 217 H GLN 26 H GLN 26 9.845 -3.537 15.779 218 HA GLN 26 HA GLN 26 9.607 -2.636 17.829 219 HB2 GLN 26 2HB GLN 26 8.565 -0.151 16.402 220 HB3 GLN 26 1HB GLN 26 9.112 -0.219 18.069 221 HG2 GLN 26 2HG GLN 26 10.889 -0.742 15.669 222 HG3 GLN 26 1HG GLN 26 10.743 0.806 16.494 223 HE21 GLN 26 1HE2 GLN 26 12.944 0.828 16.960 224 HE22 GLN 26 2HE2 GLN 26 13.654 -0.189 18.161 225 H GLY 27 H GLY 27 7.193 -3.926 16.371 226 HA2 GLY 27 2HA GLY 27 5.189 -4.720 17.281 227 HA3 GLY 27 1HA GLY 27 5.220 -3.440 18.486 228 H LYS 28 H LYS 28 5.847 -2.005 15.582 229 HA LYS 28 HA LYS 28 3.065 -1.129 15.190 230 HB2 LYS 28 2HB LYS 28 5.731 0.040 14.270 231 HB3 LYS 28 1HB LYS 28 4.158 0.738 13.893 232 HG2 LYS 28 2HG LYS 28 3.748 1.286 16.193 233 HG3 LYS 28 1HG LYS 28 5.148 0.351 16.730 234 HD2 LYS 28 2HD LYS 28 6.678 1.915 15.685 235 HD3 LYS 28 1HD LYS 28 5.344 2.798 14.932 236 HE2 LYS 28 2HE LYS 28 5.847 2.595 17.920 237 HE3 LYS 28 1HE LYS 28 6.233 3.980 16.901 238 HZ1 LYS 28 3HZ LYS 28 4.154 4.353 18.014 239 HZ2 LYS 28 1HZ LYS 28 3.518 2.899 17.427 240 HZ3 LYS 28 2HZ LYS 28 3.862 4.165 16.362 241 H ILE 29 H ILE 29 2.394 -0.706 12.942 242 HA ILE 29 HA ILE 29 3.497 -2.616 10.978 243 HB ILE 29 HB ILE 29 1.386 -3.499 11.938 244 HG12 ILE 29 2HG1 ILE 29 0.131 -3.884 9.791 245 HG13 ILE 29 1HG1 ILE 29 1.108 -2.639 9.021 246 HG21 ILE 29 1HG2 ILE 29 -0.775 -2.399 11.595 247 HG22 ILE 29 2HG2 ILE 29 0.039 -1.015 10.869 248 HG23 ILE 29 3HG2 ILE 29 0.306 -1.397 12.570 249 HD11 ILE 29 3HD1 ILE 29 1.837 -4.936 8.519 250 HD12 ILE 29 1HD1 ILE 29 2.196 -5.187 10.222 251 HD13 ILE 29 2HD1 ILE 29 3.103 -3.986 9.295 252 H PHE 30 H PHE 30 3.801 -1.841 8.976 253 HA PHE 30 HA PHE 30 2.979 0.908 8.228 254 HB2 PHE 30 2HB PHE 30 5.760 -0.322 7.827 255 HB3 PHE 30 1HB PHE 30 5.251 1.258 7.246 256 HD1 PHE 30 HD2 PHE 30 6.163 -0.698 10.272 257 HD2 PHE 30 HD1 PHE 30 5.188 3.179 8.738 258 HE1 PHE 30 HE2 PHE 30 6.933 0.334 12.372 259 HE2 PHE 30 HE1 PHE 30 5.963 4.195 10.843 260 HZ PHE 30 HZ PHE 30 6.833 2.779 12.660 261 H LEU 31 H LEU 31 2.193 1.004 6.109 262 HA LEU 31 HA LEU 31 2.573 -1.366 4.376 263 HB2 LEU 31 2HB LEU 31 0.234 -0.452 4.620 264 HB3 LEU 31 1HB LEU 31 0.772 1.050 3.874 265 HG LEU 31 HG LEU 31 1.401 -0.255 1.801 266 HD11 LEU 31 1HD1 LEU 31 0.057 -2.584 3.190 267 HD12 LEU 31 2HD1 LEU 31 1.771 -2.435 2.789 268 HD13 LEU 31 3HD1 LEU 31 0.575 -2.540 1.501 269 HD21 LEU 31 3HD2 LEU 31 -0.866 -0.554 0.937 270 HD22 LEU 31 1HD2 LEU 31 -0.738 0.928 1.885 271 HD23 LEU 31 2HD2 LEU 31 -1.519 -0.496 2.577 272 H GLN 32 H GLN 32 4.548 -1.209 3.455 273 HA GLN 32 HA GLN 32 5.596 1.351 2.520 274 HB2 GLN 32 2HB GLN 32 6.904 -1.399 2.607 275 HB3 GLN 32 1HB GLN 32 7.711 0.113 2.187 276 HG2 GLN 32 2HG GLN 32 7.025 0.965 4.506 277 HG3 GLN 32 1HG GLN 32 6.575 -0.697 4.877 278 HE21 GLN 32 1HE2 GLN 32 8.618 1.016 6.085 279 HE22 GLN 32 2HE2 GLN 32 10.107 0.156 5.924 280 H VAL 33 H VAL 33 4.853 1.974 0.653 281 HA VAL 33 HA VAL 33 4.245 0.336 -1.613 282 HB VAL 33 HB VAL 33 4.735 3.348 -1.461 283 HG11 VAL 33 1HG1 VAL 33 3.295 1.734 -3.596 284 HG12 VAL 33 2HG1 VAL 33 4.871 2.512 -3.766 285 HG13 VAL 33 3HG1 VAL 33 3.423 3.495 -3.548 286 HG21 VAL 33 3HG2 VAL 33 2.931 2.696 0.079 287 HG22 VAL 33 1HG2 VAL 33 2.097 1.844 -1.225 288 HG23 VAL 33 2HG2 VAL 33 2.275 3.600 -1.288 289 H MET 34 H MET 34 5.916 -0.770 -2.466 290 HA MET 34 HA MET 34 8.638 -0.072 -2.621 291 HB2 MET 34 2HB MET 34 7.044 -1.975 -4.391 292 HB3 MET 34 1HB MET 34 8.798 -1.939 -4.270 293 HG2 MET 34 2HG MET 34 6.980 -2.565 -1.939 294 HG3 MET 34 1HG MET 34 7.647 -3.789 -3.010 295 HE1 MET 34 3HE MET 34 8.813 -0.751 -0.634 296 HE2 MET 34 1HE MET 34 9.803 -1.727 0.450 297 HE3 MET 34 2HE MET 34 8.078 -2.063 0.291 298 H TRP 35 H TRP 35 9.866 0.186 -4.632 299 HA TRP 35 HA TRP 35 8.885 2.404 -6.240 300 HB2 TRP 35 2HB TRP 35 11.322 2.389 -7.067 301 HB3 TRP 35 1HB TRP 35 11.055 2.749 -5.369 302 HD1 TRP 35 HD1 TRP 35 12.663 0.102 -7.635 303 HE1 TRP 35 HE1 TRP 35 14.075 -1.480 -6.177 304 HE3 TRP 35 HE3 TRP 35 11.214 1.725 -2.994 305 HZ2 TRP 35 HZ2 TRP 35 14.512 -1.983 -3.439 306 HZ3 TRP 35 HZ3 TRP 35 12.173 0.633 -1.006 307 HH2 TRP 35 HH2 TRP 35 13.793 -1.187 -1.230 308 H LYS 36 H LYS 36 8.876 -0.931 -6.574 309 HA LYS 36 HA LYS 36 9.095 -0.899 -9.505 310 HB2 LYS 36 2HB LYS 36 8.860 -3.234 -7.554 311 HB3 LYS 36 1HB LYS 36 8.956 -3.393 -9.309 312 HG2 LYS 36 2HG LYS 36 11.171 -2.205 -9.233 313 HG3 LYS 36 1HG LYS 36 11.092 -2.272 -7.470 314 HD2 LYS 36 2HD LYS 36 11.158 -4.696 -7.496 315 HD3 LYS 36 1HD LYS 36 10.989 -4.733 -9.255 316 HE2 LYS 36 2HE LYS 36 13.185 -3.637 -9.490 317 HE3 LYS 36 1HE LYS 36 13.361 -3.597 -7.734 318 HZ1 LYS 36 3HZ LYS 36 13.164 -6.039 -9.414 319 HZ2 LYS 36 1HZ LYS 36 13.275 -6.027 -7.724 320 HZ3 LYS 36 2HZ LYS 36 14.555 -5.450 -8.661 321 H TYR 37 H TYR 37 7.449 -1.534 -10.818 322 HA TYR 37 HA TYR 37 4.735 -1.688 -9.707 323 HB2 TYR 37 2HB TYR 37 4.009 -0.035 -11.506 324 HB3 TYR 37 1HB TYR 37 4.900 0.644 -10.161 325 HD1 TYR 37 HD2 TYR 37 5.045 -0.129 -13.782 326 HD2 TYR 37 HD1 TYR 37 7.106 1.666 -10.506 327 HE1 TYR 37 HE2 TYR 37 6.542 1.029 -15.347 328 HE2 TYR 37 HE1 TYR 37 8.592 2.829 -12.070 329 HH TYR 37 HH TYR 37 9.392 2.608 -14.365 330 H LEU 38 H LEU 38 3.125 -2.314 -11.337 331 HA LEU 38 HA LEU 38 3.912 -4.820 -12.407 332 HB2 LEU 38 2HB LEU 38 1.703 -4.382 -11.347 333 HB3 LEU 38 1HB LEU 38 1.272 -3.336 -12.689 334 HG LEU 38 HG LEU 38 1.391 -5.311 -14.235 335 HD11 LEU 38 1HD1 LEU 38 2.967 -6.714 -13.016 336 HD12 LEU 38 2HD1 LEU 38 1.477 -7.586 -13.355 337 HD13 LEU 38 3HD1 LEU 38 1.782 -6.973 -11.729 338 HD21 LEU 38 3HD2 LEU 38 -0.715 -6.314 -13.588 339 HD22 LEU 38 1HD2 LEU 38 -0.758 -4.582 -13.274 340 HD23 LEU 38 2HD2 LEU 38 -0.546 -5.714 -11.939 341 H GLU 39 H GLU 39 3.678 -1.677 -13.841 342 HA GLU 39 HA GLU 39 3.137 -2.453 -16.554 343 HB2 GLU 39 2HB GLU 39 4.291 0.158 -15.466 344 HB3 GLU 39 1HB GLU 39 3.776 -0.093 -17.126 345 HG2 GLU 39 2HG GLU 39 2.078 1.160 -15.944 346 HG3 GLU 39 1HG GLU 39 1.440 -0.435 -16.334 347 H GLN 40 H GLN 40 5.950 -2.609 -14.622 348 HA GLN 40 HA GLN 40 7.836 -2.863 -16.838 349 HB2 GLN 40 2HB GLN 40 8.101 -3.461 -13.849 350 HB3 GLN 40 1HB GLN 40 9.402 -3.710 -15.009 351 HG2 GLN 40 2HG GLN 40 8.102 -1.058 -14.353 352 HG3 GLN 40 1HG GLN 40 9.687 -1.599 -13.798 353 HE21 GLN 40 1HE2 GLN 40 8.977 0.762 -15.422 354 HE22 GLN 40 2HE2 GLN 40 9.884 0.628 -16.877 355 H ALA 41 H ALA 41 8.221 -4.718 -17.912 356 HA ALA 41 HA ALA 41 6.784 -7.157 -17.397 357 HB1 ALA 41 3HB ALA 41 9.044 -6.612 -19.360 358 HB2 ALA 41 1HB ALA 41 7.322 -6.416 -19.691 359 HB3 ALA 41 2HB ALA 41 7.979 -8.021 -19.371 360 H SER 42 H SER 42 9.651 -5.842 -16.168 361 HA SER 42 HA SER 42 11.023 -8.312 -15.532 362 HB2 SER 42 2HB SER 42 12.257 -6.193 -16.023 363 HB3 SER 42 1HB SER 42 11.573 -5.470 -14.568 364 HG SER 42 HG SER 42 12.792 -7.898 -14.141 365 H PHE 43 H PHE 43 8.405 -6.643 -14.211 366 HA PHE 43 HA PHE 43 8.803 -6.755 -11.441 367 HB2 PHE 43 2HB PHE 43 7.013 -5.466 -12.735 368 HB3 PHE 43 1HB PHE 43 6.128 -6.977 -12.904 369 HD1 PHE 43 HD1 PHE 43 7.715 -4.863 -10.228 370 HD2 PHE 43 HD2 PHE 43 4.442 -7.393 -11.307 371 HE1 PHE 43 HE1 PHE 43 6.631 -4.392 -8.078 372 HE2 PHE 43 HE2 PHE 43 3.372 -6.915 -9.153 373 HZ PHE 43 HZ PHE 43 4.460 -5.412 -7.538 374 HA PRO 44 HA PRO 44 9.075 -11.217 -10.801 375 HB2 PRO 44 2HB PRO 44 7.931 -10.538 -8.077 376 HB3 PRO 44 1HB PRO 44 9.364 -11.508 -8.490 377 HG2 PRO 44 2HG PRO 44 9.682 -9.044 -7.594 378 HG3 PRO 44 1HG PRO 44 10.682 -9.626 -8.946 379 HD2 PRO 44 2HD PRO 44 8.295 -7.788 -9.020 380 HD3 PRO 44 1HD PRO 44 9.804 -7.715 -9.959 381 H MET 45 H MET 45 6.083 -9.565 -9.807 382 HA MET 45 HA MET 45 4.509 -12.050 -10.034 383 HB2 MET 45 2HB MET 45 3.792 -9.302 -8.924 384 HB3 MET 45 1HB MET 45 2.638 -10.621 -9.065 385 HG2 MET 45 2HG MET 45 4.034 -11.974 -7.529 386 HG3 MET 45 1HG MET 45 5.134 -10.610 -7.356 387 HE1 MET 45 3HE MET 45 2.902 -7.960 -5.545 388 HE2 MET 45 1HE MET 45 3.155 -8.117 -7.285 389 HE3 MET 45 2HE MET 45 4.505 -8.331 -6.163 390 H ASN 46 H ASN 46 2.888 -12.287 -11.499 391 HA ASN 46 HA ASN 46 2.778 -10.570 -13.844 392 HB2 ASN 46 2HB ASN 46 1.386 -13.171 -13.086 393 HB3 ASN 46 1HB ASN 46 1.095 -12.340 -14.606 394 HD21 ASN 46 1HD2 ASN 46 4.357 -12.406 -13.261 395 HD22 ASN 46 2HD2 ASN 46 4.984 -13.550 -14.381 396 H GLU 47 H GLU 47 0.210 -10.478 -14.630 397 HA GLU 47 HA GLU 47 -0.663 -8.191 -13.262 398 HB2 GLU 47 2HB GLU 47 -2.102 -9.907 -15.315 399 HB3 GLU 47 1HB GLU 47 -2.670 -8.326 -14.785 400 HG2 GLU 47 2HG GLU 47 -0.659 -7.254 -15.681 401 HG3 GLU 47 1HG GLU 47 0.019 -8.821 -16.118 402 H THR 48 H THR 48 -1.982 -11.518 -13.178 403 HA THR 48 HA THR 48 -4.181 -10.766 -11.432 404 HB THR 48 HB THR 48 -3.335 -13.610 -12.173 405 HG1 THR 48 HG1 THR 48 -5.331 -12.266 -13.619 406 HG21 THR 48 3HG2 THR 48 -6.071 -12.473 -11.425 407 HG22 THR 48 1HG2 THR 48 -5.051 -13.461 -10.370 408 HG23 THR 48 2HG2 THR 48 -5.725 -14.150 -11.845 409 H GLU 49 H GLU 49 -0.993 -12.323 -11.107 410 HA GLU 49 HA GLU 49 -1.139 -13.248 -8.454 411 HB2 GLU 49 2HB GLU 49 1.316 -12.060 -9.832 412 HB3 GLU 49 1HB GLU 49 1.338 -13.085 -8.404 413 HG2 GLU 49 2HG GLU 49 0.519 -13.888 -11.200 414 HG3 GLU 49 1HG GLU 49 1.984 -14.365 -10.350 415 H TYR 50 H TYR 50 -0.109 -10.132 -9.742 416 HA TYR 50 HA TYR 50 0.383 -8.861 -7.239 417 HB2 TYR 50 2HB TYR 50 1.656 -8.066 -9.092 418 HB3 TYR 50 1HB TYR 50 0.237 -7.914 -10.126 419 HD1 TYR 50 HD1 TYR 50 1.821 -6.456 -7.046 420 HD2 TYR 50 HD2 TYR 50 -0.838 -5.827 -10.323 421 HE1 TYR 50 HE1 TYR 50 1.556 -4.108 -6.384 422 HE2 TYR 50 HE2 TYR 50 -1.094 -3.487 -9.669 423 HH TYR 50 HH TYR 50 0.857 -1.955 -7.384 424 H GLN 51 H GLN 51 -2.432 -9.056 -9.417 425 HA GLN 51 HA GLN 51 -3.905 -6.864 -8.336 426 HB2 GLN 51 2HB GLN 51 -4.283 -8.309 -10.566 427 HB3 GLN 51 1HB GLN 51 -5.366 -9.239 -9.550 428 HG2 GLN 51 2HG GLN 51 -5.570 -6.275 -10.153 429 HG3 GLN 51 1HG GLN 51 -6.561 -7.536 -10.861 430 HE21 GLN 51 1HE2 GLN 51 -6.004 -5.571 -8.024 431 HE22 GLN 51 2HE2 GLN 51 -7.473 -5.977 -7.213 432 H GLU 52 H GLU 52 -3.995 -10.364 -7.731 433 HA GLU 52 HA GLU 52 -5.944 -10.265 -5.633 434 HB2 GLU 52 2HB GLU 52 -3.967 -12.454 -6.401 435 HB3 GLU 52 1HB GLU 52 -5.305 -12.650 -5.271 436 HG2 GLU 52 2HG GLU 52 -6.871 -11.993 -7.175 437 HG3 GLU 52 1HG GLU 52 -5.477 -12.101 -8.249 438 H HIS 53 H HIS 53 -2.447 -10.012 -5.762 439 HA HIS 53 HA HIS 53 -1.850 -10.135 -3.005 440 HB2 HIS 53 2HB HIS 53 -0.014 -10.195 -4.584 441 HB3 HIS 53 1HB HIS 53 -0.492 -8.667 -5.309 442 HD1 HIS 53 HD1 HIS 53 1.144 -10.072 -2.203 443 HD2 HIS 53 HD2 HIS 53 0.616 -6.418 -4.106 444 HE1 HIS 53 HE1 HIS 53 2.631 -8.457 -0.991 445 HE2 HIS 53 HE2 HIS 53 2.488 -6.342 -2.338 446 H LEU 54 H LEU 54 -2.806 -7.393 -5.101 447 HA LEU 54 HA LEU 54 -2.778 -5.316 -3.210 448 HB2 LEU 54 2HB LEU 54 -4.560 -5.736 -5.639 449 HB3 LEU 54 1HB LEU 54 -4.569 -4.252 -4.703 450 HG LEU 54 HG LEU 54 -2.134 -5.309 -6.182 451 HD11 LEU 54 1HD1 LEU 54 -3.910 -4.763 -7.759 452 HD12 LEU 54 2HD1 LEU 54 -2.619 -3.570 -7.851 453 HD13 LEU 54 3HD1 LEU 54 -4.123 -3.175 -7.016 454 HD21 LEU 54 3HD2 LEU 54 -1.220 -3.056 -5.790 455 HD22 LEU 54 1HD2 LEU 54 -1.562 -3.880 -4.272 456 HD23 LEU 54 2HD2 LEU 54 -2.652 -2.620 -4.855 457 H ASP 55 H ASP 55 -5.380 -7.519 -4.195 458 HA ASP 55 HA ASP 55 -7.427 -6.347 -2.623 459 HB2 ASP 55 2HB ASP 55 -7.770 -7.766 -4.689 460 HB3 ASP 55 1HB ASP 55 -7.314 -9.188 -3.757 461 H SER 56 H SER 56 -5.077 -8.885 -2.027 462 HA SER 56 HA SER 56 -6.136 -9.881 0.424 463 HB2 SER 56 2HB SER 56 -4.505 -11.129 -1.032 464 HB3 SER 56 1HB SER 56 -3.244 -9.987 -0.565 465 HG SER 56 HG SER 56 -4.599 -11.911 1.005 466 H VAL 57 H VAL 57 -3.558 -7.539 -0.352 467 HA VAL 57 HA VAL 57 -2.859 -6.745 2.264 468 HB VAL 57 HB VAL 57 -2.645 -5.305 -0.424 469 HG11 VAL 57 1HG1 VAL 57 -1.510 -4.310 2.216 470 HG12 VAL 57 2HG1 VAL 57 -2.784 -3.540 1.270 471 HG13 VAL 57 3HG1 VAL 57 -1.146 -3.639 0.625 472 HG21 VAL 57 3HG2 VAL 57 -0.231 -5.823 -0.231 473 HG22 VAL 57 1HG2 VAL 57 -1.209 -7.289 -0.158 474 HG23 VAL 57 2HG2 VAL 57 -0.520 -6.617 1.320 475 H ALA 58 H ALA 58 -5.278 -5.547 0.001 476 HA ALA 58 HA ALA 58 -6.117 -3.248 1.437 477 HB1 ALA 58 3HB ALA 58 -6.379 -3.466 -0.989 478 HB2 ALA 58 1HB ALA 58 -7.943 -3.191 -0.228 479 HB3 ALA 58 2HB ALA 58 -7.503 -4.812 -0.770 480 H ASN 59 H ASN 59 -7.105 -6.616 1.436 481 HA ASN 59 HA ASN 59 -9.464 -6.430 3.004 482 HB2 ASN 59 2HB ASN 59 -8.862 -8.496 1.758 483 HB3 ASN 59 1HB ASN 59 -7.452 -8.722 2.788 484 HD21 ASN 59 1HD2 ASN 59 -8.165 -10.757 3.506 485 HD22 ASN 59 2HD2 ASN 59 -9.497 -10.949 4.585 486 H TYR 60 H TYR 60 -6.032 -6.987 3.844 487 HA TYR 60 HA TYR 60 -6.357 -7.019 6.662 488 HB2 TYR 60 2HB TYR 60 -3.909 -6.429 4.950 489 HB3 TYR 60 1HB TYR 60 -3.849 -6.459 6.709 490 HD1 TYR 60 HD1 TYR 60 -4.952 -8.652 7.771 491 HD2 TYR 60 HD2 TYR 60 -3.241 -8.416 3.870 492 HE1 TYR 60 HE1 TYR 60 -4.581 -11.060 7.797 493 HE2 TYR 60 HE2 TYR 60 -2.871 -10.851 3.879 494 HH TYR 60 HH TYR 60 -4.309 -12.903 6.201 495 H LEU 61 H LEU 61 -5.867 -4.381 4.373 496 HA LEU 61 HA LEU 61 -5.227 -2.340 6.201 497 HB2 LEU 61 2HB LEU 61 -6.631 -2.185 3.505 498 HB3 LEU 61 1HB LEU 61 -6.126 -0.772 4.409 499 HG LEU 61 HG LEU 61 -4.291 -2.894 3.239 500 HD11 LEU 61 1HD1 LEU 61 -5.217 -1.402 1.538 501 HD12 LEU 61 2HD1 LEU 61 -3.491 -1.130 1.747 502 HD13 LEU 61 3HD1 LEU 61 -4.651 0.010 2.437 503 HD21 LEU 61 3HD2 LEU 61 -3.561 -0.440 4.871 504 HD22 LEU 61 1HD2 LEU 61 -2.418 -1.470 4.002 505 HD23 LEU 61 2HD2 LEU 61 -3.353 -2.131 5.339 506 H HIS 62 H HIS 62 -8.401 -3.526 5.059 507 HA HIS 62 HA HIS 62 -9.923 -1.660 6.654 508 HB2 HIS 62 2HB HIS 62 -10.901 -2.598 4.605 509 HB3 HIS 62 1HB HIS 62 -10.772 -4.232 5.256 510 HD1 HIS 62 HD1 HIS 62 -12.798 -5.082 6.425 511 HD2 HIS 62 HD2 HIS 62 -12.759 -0.923 6.260 512 HE1 HIS 62 HE1 HIS 62 -14.991 -4.346 7.391 513 HE2 HIS 62 HE2 HIS 62 -14.989 -1.835 7.195 514 H ALA 63 H ALA 63 -8.853 -5.023 7.010 515 HA ALA 63 HA ALA 63 -10.399 -5.837 9.216 516 HB1 ALA 63 3HB ALA 63 -9.146 -7.407 7.771 517 HB2 ALA 63 1HB ALA 63 -8.734 -7.647 9.470 518 HB3 ALA 63 2HB ALA 63 -7.621 -6.784 8.401 519 H LEU 64 H LEU 64 -7.190 -4.417 9.010 520 HA LEU 64 HA LEU 64 -6.770 -4.261 11.879 521 HB2 LEU 64 2HB LEU 64 -5.085 -3.216 9.556 522 HB3 LEU 64 1HB LEU 64 -4.565 -3.305 11.228 523 HG LEU 64 HG LEU 64 -5.262 -5.732 9.533 524 HD11 LEU 64 1HD1 LEU 64 -2.487 -4.680 10.173 525 HD12 LEU 64 2HD1 LEU 64 -3.291 -4.633 8.601 526 HD13 LEU 64 3HD1 LEU 64 -2.873 -6.185 9.323 527 HD21 LEU 64 3HD2 LEU 64 -3.945 -5.576 12.259 528 HD22 LEU 64 1HD2 LEU 64 -4.180 -7.045 11.303 529 HD23 LEU 64 2HD2 LEU 64 -5.576 -6.152 11.903 530 H GLY 65 H GLY 65 -7.962 -2.204 9.312 531 HA2 GLY 65 2HA GLY 65 -9.219 -0.244 9.614 532 HA3 GLY 65 1HA GLY 65 -8.542 -0.041 11.219 533 H GLY 66 H GLY 66 -6.146 -0.698 8.921 534 HA2 GLY 66 2HA GLY 66 -5.093 2.018 9.037 535 HA3 GLY 66 1HA GLY 66 -4.284 0.596 8.399 536 H ALA 67 H ALA 67 -7.351 0.712 7.059 537 HA ALA 67 HA ALA 67 -6.430 1.138 4.428 538 HB1 ALA 67 3HB ALA 67 -8.410 -0.222 4.951 539 HB2 ALA 67 1HB ALA 67 -8.804 1.037 3.780 540 HB3 ALA 67 2HB ALA 67 -9.284 1.218 5.471 541 H VAL 68 H VAL 68 -8.310 3.229 6.603 542 HA VAL 68 HA VAL 68 -8.588 5.470 4.898 543 HB VAL 68 HB VAL 68 -8.487 5.501 7.960 544 HG11 VAL 68 1HG1 VAL 68 -8.373 7.763 6.997 545 HG12 VAL 68 2HG1 VAL 68 -9.923 7.515 7.800 546 HG13 VAL 68 3HG1 VAL 68 -9.824 7.452 6.039 547 HG21 VAL 68 3HG2 VAL 68 -10.901 5.039 6.174 548 HG22 VAL 68 1HG2 VAL 68 -10.929 5.185 7.934 549 HG23 VAL 68 2HG2 VAL 68 -10.107 3.822 7.173 550 H GLN 69 H GLN 69 -6.033 4.420 7.097 551 HA GLN 69 HA GLN 69 -4.553 6.854 7.218 552 HB2 GLN 69 2HB GLN 69 -3.470 4.045 7.679 553 HB3 GLN 69 1HB GLN 69 -2.817 5.549 8.313 554 HG2 GLN 69 2HG GLN 69 -5.465 4.291 9.091 555 HG3 GLN 69 1HG GLN 69 -3.985 4.264 10.044 556 HE21 GLN 69 1HE2 GLN 69 -5.019 5.238 11.795 557 HE22 GLN 69 2HE2 GLN 69 -5.429 6.904 11.823 558 H VAL 70 H VAL 70 -4.452 4.052 5.076 559 HA VAL 70 HA VAL 70 -2.157 4.770 3.527 560 HB VAL 70 HB VAL 70 -4.573 3.024 2.834 561 HG11 VAL 70 1HG1 VAL 70 -1.921 3.205 1.350 562 HG12 VAL 70 2HG1 VAL 70 -3.488 3.749 0.748 563 HG13 VAL 70 3HG1 VAL 70 -3.203 2.032 1.029 564 HG21 VAL 70 3HG2 VAL 70 -3.086 1.132 3.375 565 HG22 VAL 70 1HG2 VAL 70 -3.290 2.207 4.756 566 HG23 VAL 70 2HG2 VAL 70 -1.801 2.260 3.812 567 H LYS 71 H LYS 71 -5.647 5.284 3.137 568 HA LYS 71 HA LYS 71 -5.537 6.685 0.654 569 HB2 LYS 71 2HB LYS 71 -7.712 6.517 2.775 570 HB3 LYS 71 1HB LYS 71 -7.941 7.247 1.190 571 HG2 LYS 71 2HG LYS 71 -7.537 5.099 0.092 572 HG3 LYS 71 1HG LYS 71 -7.160 4.350 1.646 573 HD2 LYS 71 2HD LYS 71 -9.429 3.744 1.017 574 HD3 LYS 71 1HD LYS 71 -9.497 4.827 2.407 575 HE2 LYS 71 2HE LYS 71 -9.982 6.719 0.835 576 HE3 LYS 71 1HE LYS 71 -10.030 5.552 -0.489 577 HZ1 LYS 71 3HZ LYS 71 -12.246 5.974 0.259 578 HZ2 LYS 71 1HZ LYS 71 -11.840 5.633 1.866 579 HZ3 LYS 71 2HZ LYS 71 -11.836 4.400 0.708 580 H THR 72 H THR 72 -5.142 7.690 3.962 581 HA THR 72 HA THR 72 -5.453 10.521 3.482 582 HB THR 72 HB THR 72 -4.217 8.976 5.818 583 HG1 THR 72 HG1 THR 72 -6.590 8.958 5.363 584 HG21 THR 72 3HG2 THR 72 -4.285 11.085 7.106 585 HG22 THR 72 1HG2 THR 72 -4.811 11.958 5.666 586 HG23 THR 72 2HG2 THR 72 -3.201 11.236 5.722 587 H PHE 73 H PHE 73 -2.736 8.282 4.015 588 HA PHE 73 HA PHE 73 -0.705 10.229 3.997 589 HB2 PHE 73 2HB PHE 73 -0.579 7.924 5.033 590 HB3 PHE 73 1HB PHE 73 -0.388 7.256 3.418 591 HD1 PHE 73 HD1 PHE 73 1.744 7.594 2.164 592 HD2 PHE 73 HD2 PHE 73 1.229 9.150 6.116 593 HE1 PHE 73 HE1 PHE 73 4.167 7.962 2.350 594 HE2 PHE 73 HE2 PHE 73 3.654 9.505 6.280 595 HZ PHE 73 HZ PHE 73 5.117 8.906 4.392 596 H ILE 74 H ILE 74 -1.487 7.750 1.490 597 HA ILE 74 HA ILE 74 0.403 8.536 -0.422 598 HB ILE 74 HB ILE 74 -2.246 7.071 -0.807 599 HG12 ILE 74 2HG1 ILE 74 0.640 6.099 -0.639 600 HG13 ILE 74 1HG1 ILE 74 -0.618 5.857 0.566 601 HG21 ILE 74 1HG2 ILE 74 -1.452 6.357 -3.047 602 HG22 ILE 74 2HG2 ILE 74 -0.051 7.416 -2.885 603 HG23 ILE 74 3HG2 ILE 74 -1.670 8.107 -2.964 604 HD11 ILE 74 3HD1 ILE 74 -0.521 4.634 -2.189 605 HD12 ILE 74 1HD1 ILE 74 -1.833 4.427 -1.024 606 HD13 ILE 74 2HD1 ILE 74 -0.218 3.831 -0.650 607 H THR 75 H THR 75 -3.005 9.540 -0.064 608 HA THR 75 HA THR 75 -3.196 11.015 -2.478 609 HB THR 75 HB THR 75 -4.859 11.259 0.066 610 HG1 THR 75 HG1 THR 75 -6.034 9.617 -0.746 611 HG21 THR 75 3HG2 THR 75 -6.677 12.079 -1.409 612 HG22 THR 75 1HG2 THR 75 -5.570 12.071 -2.785 613 HG23 THR 75 2HG2 THR 75 -5.299 13.177 -1.438 614 H GLN 76 H GLN 76 -1.951 11.868 0.693 615 HA GLN 76 HA GLN 76 -1.934 14.750 0.096 616 HB2 GLN 76 2HB GLN 76 -1.219 13.206 2.619 617 HB3 GLN 76 1HB GLN 76 -1.086 14.956 2.467 618 HG2 GLN 76 2HG GLN 76 -3.544 15.069 2.015 619 HG3 GLN 76 1HG GLN 76 -3.635 13.327 2.285 620 HE21 GLN 76 1HE2 GLN 76 -5.062 13.618 4.021 621 HE22 GLN 76 2HE2 GLN 76 -4.543 14.214 5.553 622 H THR 77 H THR 77 0.359 12.051 0.290 623 HA THR 77 HA THR 77 2.644 13.745 0.843 624 HB THR 77 HB THR 77 2.547 11.433 1.773 625 HG1 THR 77 HG1 THR 77 4.721 11.090 1.496 626 HG21 THR 77 3HG2 THR 77 1.583 10.193 -0.148 627 HG22 THR 77 1HG2 THR 77 3.099 9.470 0.399 628 HG23 THR 77 2HG2 THR 77 3.067 10.458 -1.062 629 H LYS 78 H LYS 78 3.905 14.749 -0.569 630 HA LYS 78 HA LYS 78 3.648 14.298 -3.455 631 HB2 LYS 78 2HB LYS 78 5.037 16.320 -3.693 632 HB3 LYS 78 1HB LYS 78 3.652 16.608 -2.650 633 HG2 LYS 78 2HG LYS 78 5.175 16.332 -0.662 634 HG3 LYS 78 1HG LYS 78 6.536 16.247 -1.784 635 HD2 LYS 78 2HD LYS 78 5.997 18.518 -2.618 636 HD3 LYS 78 1HD LYS 78 4.616 18.601 -1.520 637 HE2 LYS 78 2HE LYS 78 7.542 18.434 -0.724 638 HE3 LYS 78 1HE LYS 78 6.497 19.848 -0.597 639 HZ1 LYS 78 3HZ LYS 78 6.191 17.304 0.902 640 HZ2 LYS 78 1HZ LYS 78 5.115 18.605 0.977 641 HZ3 LYS 78 2HZ LYS 78 6.702 18.784 1.527 642 H GLU 79 H GLU 79 5.268 12.728 -1.152 643 HA GLU 79 HA GLU 79 7.853 12.361 -2.359 644 HB2 GLU 79 2HB GLU 79 6.377 10.628 -0.330 645 HB3 GLU 79 1HB GLU 79 8.090 10.508 -0.738 646 HG2 GLU 79 2HG GLU 79 8.463 12.781 0.144 647 HG3 GLU 79 1HG GLU 79 6.753 12.907 0.552 648 H ARG 80 H ARG 80 8.507 10.746 -3.679 649 HA ARG 80 HA ARG 80 6.459 9.002 -4.912 650 HB2 ARG 80 2HB ARG 80 8.973 10.183 -6.185 651 HB3 ARG 80 1HB ARG 80 7.821 9.117 -6.987 652 HG2 ARG 80 2HG ARG 80 6.052 10.826 -6.698 653 HG3 ARG 80 1HG ARG 80 7.230 11.894 -5.943 654 HD2 ARG 80 2HD ARG 80 6.952 12.556 -8.244 655 HD3 ARG 80 1HD ARG 80 8.558 11.844 -8.066 656 HE ARG 80 HE ARG 80 7.172 9.717 -8.874 657 HH11 ARG 80 1HH1 ARG 80 7.116 12.991 -10.162 658 HH12 ARG 80 2HH1 ARG 80 6.736 12.478 -11.765 659 HH21 ARG 80 1HH2 ARG 80 6.717 9.071 -11.008 660 HH22 ARG 80 2HH2 ARG 80 6.512 10.265 -12.245 661 HA PRO 81 HA PRO 81 9.111 5.608 -3.532 662 HB2 PRO 81 2HB PRO 81 8.146 3.609 -5.169 663 HB3 PRO 81 1HB PRO 81 7.275 4.201 -3.746 664 HG2 PRO 81 2HG PRO 81 6.829 4.863 -6.626 665 HG3 PRO 81 1HG PRO 81 5.640 4.580 -5.337 666 HD2 PRO 81 2HD PRO 81 6.344 7.094 -6.199 667 HD3 PRO 81 1HD PRO 81 5.782 6.744 -4.547 668 H ARG 82 H ARG 82 11.149 5.526 -4.042 669 HA ARG 82 HA ARG 82 12.137 5.552 -6.837 670 HB2 ARG 82 2HB ARG 82 12.406 7.791 -5.841 671 HB3 ARG 82 1HB ARG 82 13.159 7.109 -4.405 672 HG2 ARG 82 2HG ARG 82 15.097 6.394 -5.767 673 HG3 ARG 82 1HG ARG 82 14.339 7.085 -7.201 674 HD2 ARG 82 2HD ARG 82 14.473 9.332 -6.202 675 HD3 ARG 82 1HD ARG 82 15.182 8.644 -4.734 676 HE ARG 82 HE ARG 82 16.696 7.923 -7.038 677 HH11 ARG 82 1HH1 ARG 82 16.098 10.651 -4.898 678 HH12 ARG 82 2HH1 ARG 82 17.651 11.373 -5.177 679 HH21 ARG 82 1HH2 ARG 82 18.753 8.834 -7.359 680 HH22 ARG 82 2HH2 ARG 82 19.169 10.331 -6.586 681 H LEU 83 H LEU 83 14.329 4.544 -7.048 682 HA LEU 83 HA LEU 83 14.744 2.098 -5.889 683 HB2 LEU 83 2HB LEU 83 15.990 2.899 -7.863 684 HB3 LEU 83 1HB LEU 83 16.853 4.056 -6.864 685 HG LEU 83 HG LEU 83 17.904 2.133 -5.614 686 HD11 LEU 83 1HD1 LEU 83 16.632 0.389 -7.737 687 HD12 LEU 83 2HD1 LEU 83 16.228 0.416 -6.019 688 HD13 LEU 83 3HD1 LEU 83 17.821 -0.128 -6.538 689 HD21 LEU 83 3HD2 LEU 83 18.447 2.176 -8.599 690 HD22 LEU 83 1HD2 LEU 83 19.535 1.557 -7.353 691 HD23 LEU 83 2HD2 LEU 83 19.132 3.271 -7.395 692 H GLY 84 H GLY 84 14.903 1.596 -3.786 693 HA2 GLY 84 2HA GLY 84 16.042 1.419 -1.736 694 HA3 GLY 84 1HA GLY 84 16.808 2.980 -2.014 695 H LYS 85 H LYS 85 14.290 4.312 -2.725 696 HA LYS 85 HA LYS 85 13.336 4.902 -0.022 697 HB2 LYS 85 2HB LYS 85 14.035 6.793 -1.440 698 HB3 LYS 85 1HB LYS 85 12.915 6.312 -2.709 699 HG2 LYS 85 2HG LYS 85 11.001 6.809 -1.203 700 HG3 LYS 85 1HG LYS 85 12.133 7.312 0.056 701 HD2 LYS 85 2HD LYS 85 12.955 9.138 -1.416 702 HD3 LYS 85 1HD LYS 85 11.817 8.635 -2.672 703 HE2 LYS 85 2HE LYS 85 10.955 10.572 -1.423 704 HE3 LYS 85 1HE LYS 85 9.927 9.158 -1.158 705 HZ1 LYS 85 3HZ LYS 85 10.326 10.298 0.912 706 HZ2 LYS 85 1HZ LYS 85 12.000 10.192 0.711 707 HZ3 LYS 85 2HZ LYS 85 11.069 8.792 0.961 708 H ALA 86 H ALA 86 11.816 3.362 0.529 709 HA ALA 86 HA ALA 86 9.463 2.896 -1.176 710 HB1 ALA 86 3HB ALA 86 8.752 1.323 0.579 711 HB2 ALA 86 1HB ALA 86 10.120 1.804 1.593 712 HB3 ALA 86 2HB ALA 86 10.405 0.977 0.059 713 H VAL 87 H VAL 87 7.508 3.875 -0.822 714 HA VAL 87 HA VAL 87 7.287 6.066 1.055 715 HB VAL 87 HB VAL 87 5.174 4.837 -0.788 716 HG11 VAL 87 1HG1 VAL 87 5.094 7.504 0.666 717 HG12 VAL 87 2HG1 VAL 87 4.114 6.086 1.045 718 HG13 VAL 87 3HG1 VAL 87 3.893 6.919 -0.493 719 HG21 VAL 87 3HG2 VAL 87 6.920 7.291 -1.223 720 HG22 VAL 87 1HG2 VAL 87 5.641 6.729 -2.307 721 HG23 VAL 87 2HG2 VAL 87 7.079 5.742 -2.053 722 H SER 88 H SER 88 7.516 5.146 3.077 723 HA SER 88 HA SER 88 6.022 2.799 3.909 724 HB2 SER 88 2HB SER 88 8.399 3.148 4.596 725 HB3 SER 88 1HB SER 88 7.919 4.569 5.523 726 HG SER 88 HG SER 88 7.119 3.309 7.036 727 H ILE 89 H ILE 89 3.957 3.100 4.387 728 HA ILE 89 HA ILE 89 2.877 5.608 5.429 729 HB ILE 89 HB ILE 89 1.492 2.990 4.686 730 HG12 ILE 89 2HG1 ILE 89 1.682 5.511 2.979 731 HG13 ILE 89 1HG1 ILE 89 2.717 4.104 2.771 732 HG21 ILE 89 1HG2 ILE 89 0.283 5.731 5.185 733 HG22 ILE 89 2HG2 ILE 89 0.115 4.310 6.216 734 HG23 ILE 89 3HG2 ILE 89 -0.597 4.316 4.604 735 HD11 ILE 89 3HD1 ILE 89 0.953 4.085 1.164 736 HD12 ILE 89 1HD1 ILE 89 -0.271 4.182 2.429 737 HD13 ILE 89 2HD1 ILE 89 0.743 2.742 2.283 738 HA PRO 90 HA PRO 90 3.123 3.586 9.599 739 HB2 PRO 90 2HB PRO 90 2.327 6.304 10.567 740 HB3 PRO 90 1HB PRO 90 3.758 5.340 10.989 741 HG2 PRO 90 2HG PRO 90 3.987 7.539 9.474 742 HG3 PRO 90 1HG PRO 90 5.000 6.105 9.176 743 HD2 PRO 90 2HD PRO 90 2.500 6.975 7.714 744 HD3 PRO 90 1HD PRO 90 4.051 6.400 7.055 745 H LEU 91 H LEU 91 1.358 2.301 9.847 746 HA LEU 91 HA LEU 91 -1.336 3.300 9.377 747 HB2 LEU 91 2HB LEU 91 -0.389 0.535 10.178 748 HB3 LEU 91 1HB LEU 91 -2.036 0.947 9.734 749 HG LEU 91 HG LEU 91 0.406 0.920 7.919 750 HD11 LEU 91 1HD1 LEU 91 -0.507 -1.283 8.391 751 HD12 LEU 91 2HD1 LEU 91 -0.790 -0.842 6.710 752 HD13 LEU 91 3HD1 LEU 91 -2.113 -0.761 7.877 753 HD21 LEU 91 3HD2 LEU 91 -0.937 2.834 7.276 754 HD22 LEU 91 1HD2 LEU 91 -2.401 1.847 7.223 755 HD23 LEU 91 2HD2 LEU 91 -1.095 1.564 6.068 756 H ASP 92 H ASP 92 -1.834 4.649 10.955 757 HA ASP 92 HA ASP 92 -1.225 4.288 13.720 758 HB2 ASP 92 2HB ASP 92 -1.331 6.540 12.857 759 HB3 ASP 92 1HB ASP 92 -2.950 6.291 12.223 760 H LEU 93 H LEU 93 -2.114 2.340 14.360 761 HA LEU 93 HA LEU 93 -5.057 2.008 14.325 762 HB2 LEU 93 2HB LEU 93 -2.940 -0.045 15.082 763 HB3 LEU 93 1HB LEU 93 -4.641 -0.347 14.787 764 HG LEU 93 HG LEU 93 -2.498 0.313 12.736 765 HD11 LEU 93 1HD1 LEU 93 -2.511 -2.005 13.461 766 HD12 LEU 93 2HD1 LEU 93 -3.076 -1.886 11.797 767 HD13 LEU 93 3HD1 LEU 93 -4.237 -2.146 13.105 768 HD21 LEU 93 3HD2 LEU 93 -5.486 0.110 12.244 769 HD22 LEU 93 1HD2 LEU 93 -4.241 0.171 10.992 770 HD23 LEU 93 2HD2 LEU 93 -4.477 1.547 12.064 771 H GLY 94 H GLY 94 -3.640 3.881 16.145 772 HA2 GLY 94 2HA GLY 94 -3.225 2.775 18.730 773 HA3 GLY 94 1HA GLY 94 -3.449 4.477 18.351 774 H GLU 95 H GLU 95 -5.646 5.285 18.130 775 HA GLU 95 HA GLU 95 -7.463 4.148 20.089 776 HB2 GLU 95 2HB GLU 95 -7.024 6.599 19.944 777 HB3 GLU 95 1HB GLU 95 -7.750 6.628 18.343 778 HG2 GLU 95 2HG GLU 95 -9.292 7.487 20.038 779 HG3 GLU 95 1HG GLU 95 -9.926 6.024 19.290 780 H ARG 96 H ARG 96 -7.093 4.105 16.636 781 HA ARG 96 HA ARG 96 -9.782 3.347 15.972 782 HB2 ARG 96 2HB ARG 96 -7.220 3.227 14.341 783 HB3 ARG 96 1HB ARG 96 -8.794 2.743 13.716 784 HG2 ARG 96 2HG ARG 96 -9.561 5.150 14.420 785 HG3 ARG 96 1HG ARG 96 -7.836 5.513 14.463 786 HD2 ARG 96 2HD ARG 96 -8.793 6.142 12.303 787 HD3 ARG 96 1HD ARG 96 -7.650 4.811 12.083 788 HE ARG 96 HE ARG 96 -9.785 3.372 12.213 789 HH11 ARG 96 1HH1 ARG 96 -9.666 6.534 10.622 790 HH12 ARG 96 2HH1 ARG 96 -10.958 6.142 9.536 791 HH21 ARG 96 1HH2 ARG 96 -11.502 2.930 10.845 792 HH22 ARG 96 2HH2 ARG 96 -11.997 4.103 9.661 793 H ALA 97 H ALA 97 -7.269 1.633 17.464 794 HA ALA 97 HA ALA 97 -7.902 -1.019 16.741 795 HB1 ALA 97 3HB ALA 97 -5.934 -0.480 18.095 796 HB2 ALA 97 1HB ALA 97 -6.944 -1.670 18.920 797 HB3 ALA 97 2HB ALA 97 -6.966 0.020 19.435 798 H SER 98 H SER 98 -9.654 1.323 18.641 799 HA SER 98 HA SER 98 -11.146 -0.579 20.197 800 HB2 SER 98 2HB SER 98 -11.683 2.398 19.804 801 HB3 SER 98 1HB SER 98 -12.281 1.379 21.116 802 HG SER 98 HG SER 98 -9.868 2.607 20.835 803 H GLU 99 H GLU 99 -11.509 0.456 16.993 804 HA GLU 99 HA GLU 99 -14.305 0.710 16.684 805 HB2 GLU 99 2HB GLU 99 -12.261 -0.300 14.662 806 HB3 GLU 99 1HB GLU 99 -13.885 0.263 14.277 807 HG2 GLU 99 2HG GLU 99 -13.292 2.528 15.080 808 HG3 GLU 99 1HG GLU 99 -11.658 1.964 15.447 809 H TRP 100 H TRP 100 -12.174 -2.147 16.474 810 HA TRP 100 HA TRP 100 -14.431 -3.936 15.999 811 HB2 TRP 100 2HB TRP 100 -12.734 -5.736 15.795 812 HB3 TRP 100 1HB TRP 100 -12.431 -4.393 14.704 813 HD1 TRP 100 HD1 TRP 100 -10.218 -2.899 15.186 814 HE1 TRP 100 HE1 TRP 100 -8.048 -3.446 16.439 815 HE3 TRP 100 HE3 TRP 100 -11.815 -6.962 17.855 816 HZ2 TRP 100 HZ2 TRP 100 -7.124 -5.326 18.318 817 HZ3 TRP 100 HZ3 TRP 100 -10.224 -8.072 19.373 818 HH2 TRP 100 HH2 TRP 100 -7.925 -7.267 19.599 819 H ILE 101 H ILE 101 -12.766 -2.723 18.760 820 HA ILE 101 HA ILE 101 -13.554 -4.830 20.567 821 HB ILE 101 HB ILE 101 -12.599 -1.974 21.034 822 HG12 ILE 101 2HG1 ILE 101 -10.870 -3.141 22.481 823 HG13 ILE 101 1HG1 ILE 101 -11.561 -4.682 21.995 824 HG21 ILE 101 1HG2 ILE 101 -14.408 -2.192 22.668 825 HG22 ILE 101 2HG2 ILE 101 -12.852 -2.230 23.495 826 HG23 ILE 101 3HG2 ILE 101 -13.750 -3.726 23.234 827 HD11 ILE 101 3HD1 ILE 101 -9.535 -4.194 20.777 828 HD12 ILE 101 1HD1 ILE 101 -10.220 -2.677 20.195 829 HD13 ILE 101 2HD1 ILE 101 -10.913 -4.215 19.678 830 H ILE 102 H ILE 102 -15.625 -5.353 20.373 831 HA ILE 102 HA ILE 102 -17.796 -3.387 20.670 832 HB ILE 102 HB ILE 102 -18.043 -6.422 20.342 833 HG12 ILE 102 2HG1 ILE 102 -16.789 -5.513 18.404 834 HG13 ILE 102 1HG1 ILE 102 -18.378 -6.083 17.909 835 HG21 ILE 102 1HG2 ILE 102 -20.336 -5.923 19.556 836 HG22 ILE 102 2HG2 ILE 102 -20.068 -4.207 19.869 837 HG23 ILE 102 3HG2 ILE 102 -20.063 -5.359 21.205 838 HD11 ILE 102 3HD1 ILE 102 -17.804 -4.038 16.779 839 HD12 ILE 102 1HD1 ILE 102 -17.539 -3.211 18.312 840 HD13 ILE 102 2HD1 ILE 102 -19.162 -3.741 17.860 841 H LEU 103 H LEU 103 -16.739 -6.499 22.050 842 HA LEU 103 HA LEU 103 -16.858 -7.513 24.038 843 HB2 LEU 103 2HB LEU 103 -16.134 -4.725 24.977 844 HB3 LEU 103 1HB LEU 103 -16.088 -6.132 26.022 845 HG LEU 103 HG LEU 103 -14.340 -5.634 23.579 846 HD11 LEU 103 1HD1 LEU 103 -12.487 -5.575 25.174 847 HD12 LEU 103 2HD1 LEU 103 -13.601 -5.829 26.519 848 HD13 LEU 103 3HD1 LEU 103 -13.691 -4.347 25.562 849 HD21 LEU 103 3HD2 LEU 103 -14.403 -8.109 25.349 850 HD22 LEU 103 1HD2 LEU 103 -13.197 -7.757 24.108 851 HD23 LEU 103 2HD2 LEU 103 -14.875 -8.016 23.650 852 H GLU 104 H GLU 104 -19.370 -6.799 23.093 853 HA GLU 104 HA GLU 104 -21.005 -6.233 25.454 854 HB2 GLU 104 2HB GLU 104 -21.727 -6.821 22.548 855 HB3 GLU 104 1HB GLU 104 -22.926 -6.595 23.816 856 HG2 GLU 104 2HG GLU 104 -20.891 -4.519 22.955 857 HG3 GLU 104 1HG GLU 104 -22.586 -4.553 22.465 Start of MODEL 11 1 H1 MET 1 1H MET 1 -12.483 0.867 1.299 2 H2 MET 1 2H MET 1 -11.632 -0.482 1.853 3 H3 MET 1 3H MET 1 -12.902 -0.679 0.753 4 HA MET 1 HA MET 1 -11.685 0.534 -0.917 5 HB2 MET 1 2HB MET 1 -10.334 1.950 0.639 6 HB3 MET 1 1HB MET 1 -9.432 0.531 1.156 7 HG2 MET 1 2HG MET 1 -8.510 0.278 -1.117 8 HG3 MET 1 1HG MET 1 -9.443 1.671 -1.651 9 HE1 MET 1 3HE MET 1 -5.857 1.896 1.249 10 HE2 MET 1 1HE MET 1 -6.311 0.436 0.371 11 HE3 MET 1 2HE MET 1 -7.351 1.052 1.657 12 H THR 2 H THR 2 -11.737 -1.262 -2.193 13 HA THR 2 HA THR 2 -10.408 -3.772 -1.547 14 HB THR 2 HB THR 2 -11.153 -4.462 -3.852 15 HG1 THR 2 HG1 THR 2 -12.723 -2.766 -4.775 16 HG21 THR 2 3HG2 THR 2 -13.369 -3.153 -2.234 17 HG22 THR 2 1HG2 THR 2 -12.714 -4.772 -1.962 18 HG23 THR 2 2HG2 THR 2 -13.580 -4.409 -3.456 19 H GLY 3 H GLY 3 -9.035 -4.722 -3.473 20 HA2 GLY 3 2HA GLY 3 -6.624 -3.241 -3.771 21 HA3 GLY 3 1HA GLY 3 -7.032 -4.747 -4.575 22 H GLN 4 H GLN 4 -9.486 -3.548 -5.720 23 HA GLN 4 HA GLN 4 -8.625 -2.457 -8.159 24 HB2 GLN 4 2HB GLN 4 -10.817 -3.503 -7.980 25 HB3 GLN 4 1HB GLN 4 -11.323 -2.377 -6.731 26 HG2 GLN 4 2HG GLN 4 -12.424 -1.813 -8.809 27 HG3 GLN 4 1HG GLN 4 -11.287 -0.536 -8.386 28 HE21 GLN 4 1HE2 GLN 4 -11.048 0.246 -10.461 29 HE22 GLN 4 2HE2 GLN 4 -10.280 -0.637 -11.734 30 H GLU 5 H GLU 5 -10.008 -0.905 -5.264 31 HA GLU 5 HA GLU 5 -9.824 1.800 -6.149 32 HB2 GLU 5 2HB GLU 5 -9.826 0.903 -3.245 33 HB3 GLU 5 1HB GLU 5 -10.437 2.419 -3.904 34 HG2 GLU 5 2HG GLU 5 -11.644 -0.347 -4.155 35 HG3 GLU 5 1HG GLU 5 -12.270 1.008 -3.222 36 H LEU 6 H LEU 6 -7.731 -0.311 -4.239 37 HA LEU 6 HA LEU 6 -5.846 1.565 -3.314 38 HB2 LEU 6 2HB LEU 6 -6.125 -0.710 -2.370 39 HB3 LEU 6 1HB LEU 6 -5.526 -1.410 -3.861 40 HG LEU 6 HG LEU 6 -3.281 -0.446 -3.445 41 HD11 LEU 6 1HD1 LEU 6 -4.411 0.606 -0.841 42 HD12 LEU 6 2HD1 LEU 6 -3.908 1.573 -2.230 43 HD13 LEU 6 3HD1 LEU 6 -2.713 0.640 -1.333 44 HD21 LEU 6 3HD2 LEU 6 -3.743 -2.693 -2.624 45 HD22 LEU 6 1HD2 LEU 6 -4.342 -2.043 -1.094 46 HD23 LEU 6 2HD2 LEU 6 -2.642 -1.855 -1.535 47 H ARG 7 H ARG 7 -5.893 -0.511 -6.242 48 HA ARG 7 HA ARG 7 -3.395 0.267 -7.318 49 HB2 ARG 7 2HB ARG 7 -4.623 -1.748 -8.094 50 HB3 ARG 7 1HB ARG 7 -5.878 -0.728 -8.788 51 HG2 ARG 7 2HG ARG 7 -4.355 0.147 -10.453 52 HG3 ARG 7 1HG ARG 7 -2.975 -0.607 -9.661 53 HD2 ARG 7 2HD ARG 7 -3.958 -2.846 -10.203 54 HD3 ARG 7 1HD ARG 7 -5.223 -2.025 -11.119 55 HE ARG 7 HE ARG 7 -3.083 -1.020 -12.303 56 HH11 ARG 7 1HH1 ARG 7 -3.650 -4.360 -11.384 57 HH12 ARG 7 2HH1 ARG 7 -2.685 -5.007 -12.666 58 HH21 ARG 7 1HH2 ARG 7 -1.812 -1.900 -13.984 59 HH22 ARG 7 2HH2 ARG 7 -1.647 -3.618 -14.136 60 H GLN 8 H GLN 8 -6.697 1.467 -7.876 61 HA GLN 8 HA GLN 8 -6.080 3.458 -9.777 62 HB2 GLN 8 2HB GLN 8 -8.440 3.052 -7.915 63 HB3 GLN 8 1HB GLN 8 -8.363 4.440 -8.997 64 HG2 GLN 8 2HG GLN 8 -8.262 1.538 -9.897 65 HG3 GLN 8 1HG GLN 8 -9.711 2.550 -9.895 66 HE21 GLN 8 1HE2 GLN 8 -6.584 2.026 -11.399 67 HE22 GLN 8 2HE2 GLN 8 -6.899 2.958 -12.815 68 H LEU 9 H LEU 9 -5.757 3.447 -6.306 69 HA LEU 9 HA LEU 9 -5.593 6.294 -5.920 70 HB2 LEU 9 2HB LEU 9 -6.215 4.750 -4.108 71 HB3 LEU 9 1HB LEU 9 -4.663 3.948 -4.228 72 HG LEU 9 HG LEU 9 -3.518 5.951 -3.346 73 HD11 LEU 9 1HD1 LEU 9 -4.755 7.875 -2.476 74 HD12 LEU 9 2HD1 LEU 9 -6.264 7.210 -3.109 75 HD13 LEU 9 3HD1 LEU 9 -4.980 7.706 -4.216 76 HD21 LEU 9 3HD2 LEU 9 -5.847 5.079 -1.607 77 HD22 LEU 9 1HD2 LEU 9 -4.352 5.839 -1.046 78 HD23 LEU 9 2HD2 LEU 9 -4.303 4.238 -1.779 79 H LEU 10 H LEU 10 -3.265 3.654 -6.465 80 HA LEU 10 HA LEU 10 -0.865 5.201 -6.179 81 HB2 LEU 10 2HB LEU 10 -1.171 2.610 -7.748 82 HB3 LEU 10 1HB LEU 10 0.293 3.235 -7.007 83 HG LEU 10 HG LEU 10 -2.134 2.232 -5.480 84 HD11 LEU 10 1HD1 LEU 10 -0.823 0.255 -4.926 85 HD12 LEU 10 2HD1 LEU 10 0.492 0.822 -5.965 86 HD13 LEU 10 3HD1 LEU 10 -1.075 0.402 -6.664 87 HD21 LEU 10 3HD2 LEU 10 -0.719 2.313 -3.491 88 HD22 LEU 10 1HD2 LEU 10 -0.894 3.907 -4.217 89 HD23 LEU 10 2HD2 LEU 10 0.605 2.999 -4.441 90 H LEU 11 H LEU 11 -2.971 4.321 -8.864 91 HA LEU 11 HA LEU 11 -1.292 5.314 -10.984 92 HB2 LEU 11 2HB LEU 11 -4.203 4.461 -10.895 93 HB3 LEU 11 1HB LEU 11 -3.400 4.969 -12.376 94 HG LEU 11 HG LEU 11 -2.546 2.586 -10.689 95 HD11 LEU 11 1HD1 LEU 11 -3.490 1.170 -12.430 96 HD12 LEU 11 2HD1 LEU 11 -4.104 2.592 -13.281 97 HD13 LEU 11 3HD1 LEU 11 -4.735 2.173 -11.685 98 HD21 LEU 11 3HD2 LEU 11 -1.636 3.482 -13.445 99 HD22 LEU 11 1HD2 LEU 11 -1.117 2.020 -12.597 100 HD23 LEU 11 2HD2 LEU 11 -0.702 3.601 -11.951 101 H ASP 12 H ASP 12 -4.040 6.532 -9.131 102 HA ASP 12 HA ASP 12 -4.571 8.864 -10.634 103 HB2 ASP 12 2HB ASP 12 -6.135 7.965 -8.940 104 HB3 ASP 12 1HB ASP 12 -5.000 8.372 -7.659 105 H LYS 13 H LYS 13 -2.510 8.332 -7.795 106 HA LYS 13 HA LYS 13 -1.732 11.131 -7.665 107 HB2 LYS 13 2HB LYS 13 -2.241 9.876 -5.589 108 HB3 LYS 13 1HB LYS 13 -0.926 8.764 -5.930 109 HG2 LYS 13 2HG LYS 13 -0.422 10.508 -4.173 110 HG3 LYS 13 1HG LYS 13 0.738 10.432 -5.500 111 HD2 LYS 13 2HD LYS 13 -0.290 12.407 -6.553 112 HD3 LYS 13 1HD LYS 13 -1.527 12.456 -5.295 113 HE2 LYS 13 2HE LYS 13 1.438 12.762 -4.712 114 HE3 LYS 13 1HE LYS 13 0.372 14.124 -5.048 115 HZ1 LYS 13 3HZ LYS 13 0.094 12.202 -2.806 116 HZ2 LYS 13 1HZ LYS 13 -1.004 13.441 -3.155 117 HZ3 LYS 13 2HZ LYS 13 0.579 13.814 -2.689 118 H TRP 14 H TRP 14 -0.086 7.992 -8.267 119 HA TRP 14 HA TRP 14 2.436 9.460 -8.802 120 HB2 TRP 14 2HB TRP 14 1.962 6.579 -7.967 121 HB3 TRP 14 1HB TRP 14 3.548 7.265 -8.306 122 HD1 TRP 14 HD1 TRP 14 3.186 10.040 -6.718 123 HE1 TRP 14 HE1 TRP 14 3.299 10.008 -4.168 124 HE3 TRP 14 HE3 TRP 14 1.918 5.160 -5.899 125 HZ2 TRP 14 HZ2 TRP 14 2.878 8.199 -2.066 126 HZ3 TRP 14 HZ3 TRP 14 1.784 4.364 -3.571 127 HH2 TRP 14 HH2 TRP 14 2.249 5.853 -1.693 128 H GLY 15 H GLY 15 0.092 7.377 -10.324 129 HA2 GLY 15 2HA GLY 15 -0.222 7.219 -12.653 130 HA3 GLY 15 1HA GLY 15 1.418 7.786 -12.911 131 H TYR 16 H TYR 16 1.665 5.400 -10.655 132 HA TYR 16 HA TYR 16 1.903 3.182 -12.595 133 HB2 TYR 16 2HB TYR 16 4.086 4.074 -10.664 134 HB3 TYR 16 1HB TYR 16 4.074 2.500 -11.446 135 HD1 TYR 16 HD2 TYR 16 4.486 6.140 -12.011 136 HD2 TYR 16 HD1 TYR 16 4.676 2.258 -13.803 137 HE1 TYR 16 HE2 TYR 16 5.671 7.088 -13.939 138 HE2 TYR 16 HE1 TYR 16 5.867 3.207 -15.730 139 HH TYR 16 HH TYR 16 6.114 5.423 -16.849 140 H SER 17 H SER 17 1.526 1.178 -11.785 141 HA SER 17 HA SER 17 0.022 1.049 -9.287 142 HB2 SER 17 2HB SER 17 -0.852 0.037 -11.427 143 HB3 SER 17 1HB SER 17 0.488 -1.108 -11.402 144 HG SER 17 HG SER 17 -0.388 -1.599 -9.185 145 H TYR 18 H TYR 18 1.848 1.347 -7.888 146 HA TYR 18 HA TYR 18 4.163 -0.359 -7.923 147 HB2 TYR 18 2HB TYR 18 3.152 1.581 -5.808 148 HB3 TYR 18 1HB TYR 18 4.717 0.783 -5.761 149 HD1 TYR 18 HD1 TYR 18 6.442 1.337 -7.545 150 HD2 TYR 18 HD2 TYR 18 2.836 3.585 -7.089 151 HE1 TYR 18 HE1 TYR 18 7.458 3.213 -8.757 152 HE2 TYR 18 HE2 TYR 18 3.853 5.439 -8.309 153 HH TYR 18 HH TYR 18 6.675 5.187 -10.107 154 H ASP 19 H ASP 19 4.684 -2.038 -6.543 155 HA ASP 19 HA ASP 19 2.652 -3.598 -5.332 156 HB2 ASP 19 2HB ASP 19 4.738 -4.622 -6.208 157 HB3 ASP 19 1HB ASP 19 5.685 -3.744 -5.008 158 H VAL 20 H VAL 20 2.169 -3.843 -3.171 159 HA VAL 20 HA VAL 20 3.343 -1.974 -1.197 160 HB VAL 20 HB VAL 20 1.002 -1.723 -0.195 161 HG11 VAL 20 1HG1 VAL 20 1.364 -0.608 -3.003 162 HG12 VAL 20 2HG1 VAL 20 1.992 0.100 -1.514 163 HG13 VAL 20 3HG1 VAL 20 0.250 0.022 -1.783 164 HG21 VAL 20 3HG2 VAL 20 0.115 -2.914 -2.852 165 HG22 VAL 20 1HG2 VAL 20 -0.950 -2.185 -1.646 166 HG23 VAL 20 2HG2 VAL 20 -0.069 -3.665 -1.264 167 H GLN 21 H GLN 21 3.652 -2.850 0.830 168 HA GLN 21 HA GLN 21 2.682 -5.532 1.516 169 HB2 GLN 21 2HB GLN 21 4.961 -6.437 1.863 170 HB3 GLN 21 1HB GLN 21 4.690 -6.006 0.180 171 HG2 GLN 21 2HG GLN 21 5.967 -3.902 0.520 172 HG3 GLN 21 1HG GLN 21 6.278 -4.366 2.192 173 HE21 GLN 21 1HE2 GLN 21 6.364 -6.511 -0.647 174 HE22 GLN 21 2HE2 GLN 21 8.050 -6.857 -0.542 175 H PHE 22 H PHE 22 2.787 -5.972 3.712 176 HA PHE 22 HA PHE 22 2.921 -3.682 5.481 177 HB2 PHE 22 2HB PHE 22 2.222 -6.606 5.971 178 HB3 PHE 22 1HB PHE 22 2.122 -5.353 7.199 179 HD1 PHE 22 HD1 PHE 22 0.526 -3.399 6.817 180 HD2 PHE 22 HD2 PHE 22 0.401 -6.969 4.451 181 HE1 PHE 22 HE1 PHE 22 -1.748 -2.851 6.091 182 HE2 PHE 22 HE2 PHE 22 -1.869 -6.399 3.730 183 HZ PHE 22 HZ PHE 22 -2.946 -4.341 4.544 184 H ARG 23 H ARG 23 4.213 -3.542 7.323 185 HA ARG 23 HA ARG 23 6.398 -5.437 7.791 186 HB2 ARG 23 2HB ARG 23 7.382 -3.730 6.281 187 HB3 ARG 23 1HB ARG 23 6.834 -2.446 7.355 188 HG2 ARG 23 2HG ARG 23 8.346 -3.322 9.145 189 HG3 ARG 23 1HG ARG 23 8.920 -4.565 8.025 190 HD2 ARG 23 2HD ARG 23 9.773 -2.817 6.527 191 HD3 ARG 23 1HD ARG 23 9.147 -1.577 7.614 192 HE ARG 23 HE ARG 23 11.156 -3.484 8.614 193 HH11 ARG 23 1HH1 ARG 23 10.330 -0.175 7.736 194 HH12 ARG 23 2HH1 ARG 23 11.746 0.503 8.469 195 HH21 ARG 23 1HH2 ARG 23 13.044 -2.550 9.542 196 HH22 ARG 23 2HH2 ARG 23 13.277 -0.834 9.487 197 H ARG 24 H ARG 24 6.630 -5.772 9.899 198 HA ARG 24 HA ARG 24 5.228 -4.043 11.846 199 HB2 ARG 24 2HB ARG 24 6.281 -6.889 12.199 200 HB3 ARG 24 1HB ARG 24 5.385 -5.952 13.395 201 HG2 ARG 24 2HG ARG 24 3.431 -5.910 11.818 202 HG3 ARG 24 1HG ARG 24 4.324 -6.991 10.743 203 HD2 ARG 24 2HD ARG 24 2.733 -8.243 12.152 204 HD3 ARG 24 1HD ARG 24 4.402 -8.696 12.521 205 HE ARG 24 HE ARG 24 3.913 -6.742 14.322 206 HH11 ARG 24 1HH1 ARG 24 2.083 -9.657 13.572 207 HH12 ARG 24 2HH1 ARG 24 1.460 -9.802 15.185 208 HH21 ARG 24 1HH2 ARG 24 3.055 -6.932 16.394 209 HH22 ARG 24 2HH2 ARG 24 2.011 -8.264 16.780 210 H THR 25 H THR 25 6.709 -2.437 12.222 211 HA THR 25 HA THR 25 9.247 -3.199 13.525 212 HB THR 25 HB THR 25 9.872 -2.531 11.248 213 HG1 THR 25 HG1 THR 25 11.348 -1.912 12.784 214 HG21 THR 25 3HG2 THR 25 8.540 0.143 11.791 215 HG22 THR 25 1HG2 THR 25 7.950 -1.080 10.662 216 HG23 THR 25 2HG2 THR 25 9.492 -0.272 10.364 217 H GLN 26 H GLN 26 9.761 -1.997 15.273 218 HA GLN 26 HA GLN 26 9.599 -0.678 17.082 219 HB2 GLN 26 2HB GLN 26 7.942 1.149 15.293 220 HB3 GLN 26 1HB GLN 26 8.478 1.578 16.916 221 HG2 GLN 26 2HG GLN 26 10.311 0.971 14.569 222 HG3 GLN 26 1HG GLN 26 9.877 2.583 15.125 223 HE21 GLN 26 1HE2 GLN 26 10.697 3.318 17.132 224 HE22 GLN 26 2HE2 GLN 26 12.074 2.583 17.873 225 H GLY 27 H GLY 27 7.527 -2.758 16.315 226 HA2 GLY 27 2HA GLY 27 5.755 -3.754 17.401 227 HA3 GLY 27 1HA GLY 27 5.712 -2.423 18.544 228 H LYS 28 H LYS 28 5.669 -1.262 15.411 229 HA LYS 28 HA LYS 28 2.747 -0.781 15.414 230 HB2 LYS 28 2HB LYS 28 5.004 0.722 14.010 231 HB3 LYS 28 1HB LYS 28 3.303 1.187 14.021 232 HG2 LYS 28 2HG LYS 28 3.372 1.727 16.353 233 HG3 LYS 28 1HG LYS 28 4.973 0.999 16.548 234 HD2 LYS 28 2HD LYS 28 5.948 2.742 15.111 235 HD3 LYS 28 1HD LYS 28 4.348 3.453 14.860 236 HE2 LYS 28 2HE LYS 28 5.753 3.242 17.547 237 HE3 LYS 28 1HE LYS 28 5.695 4.694 16.547 238 HZ1 LYS 28 3HZ LYS 28 3.293 4.711 16.756 239 HZ2 LYS 28 1HZ LYS 28 4.020 4.744 18.282 240 HZ3 LYS 28 2HZ LYS 28 3.330 3.312 17.704 241 H ILE 29 H ILE 29 2.150 -0.225 12.906 242 HA ILE 29 HA ILE 29 3.233 -2.338 11.152 243 HB ILE 29 HB ILE 29 1.093 -3.152 12.102 244 HG12 ILE 29 2HG1 ILE 29 -0.108 -3.657 9.933 245 HG13 ILE 29 1HG1 ILE 29 0.925 -2.485 9.120 246 HG21 ILE 29 1HG2 ILE 29 -0.187 -0.707 10.854 247 HG22 ILE 29 2HG2 ILE 29 -0.020 -1.038 12.576 248 HG23 ILE 29 3HG2 ILE 29 -1.059 -2.056 11.579 249 HD11 ILE 29 3HD1 ILE 29 1.914 -4.970 10.529 250 HD12 ILE 29 1HD1 ILE 29 2.874 -3.842 9.567 251 HD13 ILE 29 2HD1 ILE 29 1.630 -4.823 8.798 252 H PHE 30 H PHE 30 3.732 -1.652 9.178 253 HA PHE 30 HA PHE 30 2.903 1.022 8.217 254 HB2 PHE 30 2HB PHE 30 5.724 -0.168 8.224 255 HB3 PHE 30 1HB PHE 30 5.273 1.285 7.337 256 HD1 PHE 30 HD2 PHE 30 5.826 -0.135 10.719 257 HD2 PHE 30 HD1 PHE 30 4.974 3.408 8.480 258 HE1 PHE 30 HE2 PHE 30 6.327 1.237 12.689 259 HE2 PHE 30 HE1 PHE 30 5.481 4.769 10.459 260 HZ PHE 30 HZ PHE 30 6.155 3.689 12.565 261 H LEU 31 H LEU 31 2.165 0.949 6.157 262 HA LEU 31 HA LEU 31 2.587 -1.420 4.492 263 HB2 LEU 31 2HB LEU 31 0.286 -0.453 4.721 264 HB3 LEU 31 1HB LEU 31 0.859 1.036 3.986 265 HG LEU 31 HG LEU 31 1.428 -0.263 1.895 266 HD11 LEU 31 1HD1 LEU 31 1.718 -2.461 2.893 267 HD12 LEU 31 2HD1 LEU 31 0.539 -2.515 1.590 268 HD13 LEU 31 3HD1 LEU 31 -0.007 -2.550 3.271 269 HD21 LEU 31 3HD2 LEU 31 -0.664 0.987 2.025 270 HD22 LEU 31 1HD2 LEU 31 -1.485 -0.415 2.717 271 HD23 LEU 31 2HD2 LEU 31 -0.855 -0.478 1.067 272 H GLN 32 H GLN 32 4.626 -1.301 3.657 273 HA GLN 32 HA GLN 32 5.772 1.184 2.677 274 HB2 GLN 32 2HB GLN 32 6.839 -1.663 2.730 275 HB3 GLN 32 1HB GLN 32 7.739 -0.287 2.091 276 HG2 GLN 32 2HG GLN 32 7.586 0.782 4.364 277 HG3 GLN 32 1HG GLN 32 6.851 -0.709 4.962 278 HE21 GLN 32 1HE2 GLN 32 9.423 0.641 5.632 279 HE22 GLN 32 2HE2 GLN 32 10.635 -0.571 5.412 280 H VAL 33 H VAL 33 5.093 1.891 0.792 281 HA VAL 33 HA VAL 33 4.260 0.231 -1.408 282 HB VAL 33 HB VAL 33 4.876 3.223 -1.464 283 HG11 VAL 33 1HG1 VAL 33 4.731 2.168 -3.687 284 HG12 VAL 33 2HG1 VAL 33 3.374 3.259 -3.422 285 HG13 VAL 33 3HG1 VAL 33 3.138 1.516 -3.289 286 HG21 VAL 33 3HG2 VAL 33 3.195 2.793 0.294 287 HG22 VAL 33 1HG2 VAL 33 2.196 1.902 -0.858 288 HG23 VAL 33 2HG2 VAL 33 2.467 3.633 -1.076 289 H MET 34 H MET 34 5.828 -0.938 -2.286 290 HA MET 34 HA MET 34 8.569 -0.348 -2.537 291 HB2 MET 34 2HB MET 34 6.865 -2.308 -4.141 292 HB3 MET 34 1HB MET 34 8.621 -2.332 -4.021 293 HG2 MET 34 2HG MET 34 6.865 -2.656 -1.579 294 HG3 MET 34 1HG MET 34 7.298 -4.019 -2.602 295 HE1 MET 34 3HE MET 34 9.976 -1.998 0.505 296 HE2 MET 34 1HE MET 34 8.213 -2.072 0.476 297 HE3 MET 34 2HE MET 34 9.071 -0.980 -0.613 298 H TRP 35 H TRP 35 9.783 0.167 -4.366 299 HA TRP 35 HA TRP 35 8.711 2.017 -6.272 300 HB2 TRP 35 2HB TRP 35 11.089 2.007 -7.173 301 HB3 TRP 35 1HB TRP 35 10.927 2.427 -5.472 302 HD1 TRP 35 HD1 TRP 35 12.455 -0.232 -7.745 303 HE1 TRP 35 HE1 TRP 35 13.937 -1.786 -6.344 304 HE3 TRP 35 HE3 TRP 35 11.193 1.408 -3.054 305 HZ2 TRP 35 HZ2 TRP 35 14.486 -2.290 -3.626 306 HZ3 TRP 35 HZ3 TRP 35 12.241 0.327 -1.103 307 HH2 TRP 35 HH2 TRP 35 13.860 -1.489 -1.387 308 H LYS 36 H LYS 36 9.144 -1.361 -6.234 309 HA LYS 36 HA LYS 36 9.217 -1.869 -9.061 310 HB2 LYS 36 2HB LYS 36 8.427 -3.722 -6.760 311 HB3 LYS 36 1HB LYS 36 8.819 -4.226 -8.405 312 HG2 LYS 36 2HG LYS 36 11.128 -3.530 -8.123 313 HG3 LYS 36 1HG LYS 36 10.767 -2.842 -6.534 314 HD2 LYS 36 2HD LYS 36 10.156 -5.136 -5.725 315 HD3 LYS 36 1HD LYS 36 10.629 -5.797 -7.293 316 HE2 LYS 36 2HE LYS 36 12.930 -5.092 -6.918 317 HE3 LYS 36 1HE LYS 36 12.468 -4.288 -5.416 318 HZ1 LYS 36 3HZ LYS 36 13.467 -6.425 -4.984 319 HZ2 LYS 36 1HZ LYS 36 12.309 -7.205 -5.939 320 HZ3 LYS 36 2HZ LYS 36 11.844 -6.429 -4.510 321 H TYR 37 H TYR 37 7.535 -1.515 -10.361 322 HA TYR 37 HA TYR 37 4.743 -1.636 -9.332 323 HB2 TYR 37 2HB TYR 37 4.287 -0.112 -11.397 324 HB3 TYR 37 1HB TYR 37 5.093 0.600 -10.007 325 HD1 TYR 37 HD2 TYR 37 5.957 -1.023 -13.309 326 HD2 TYR 37 HD1 TYR 37 7.064 1.872 -10.382 327 HE1 TYR 37 HE2 TYR 37 7.773 -0.254 -14.753 328 HE2 TYR 37 HE1 TYR 37 8.889 2.622 -11.821 329 HH TYR 37 HH TYR 37 9.141 1.805 -15.077 330 H LEU 38 H LEU 38 3.098 -2.308 -11.141 331 HA LEU 38 HA LEU 38 3.906 -4.915 -12.018 332 HB2 LEU 38 2HB LEU 38 1.575 -4.398 -11.307 333 HB3 LEU 38 1HB LEU 38 1.373 -3.406 -12.741 334 HG LEU 38 HG LEU 38 1.688 -5.425 -14.184 335 HD11 LEU 38 1HD1 LEU 38 1.675 -7.681 -13.229 336 HD12 LEU 38 2HD1 LEU 38 1.768 -7.005 -11.600 337 HD13 LEU 38 3HD1 LEU 38 3.101 -6.773 -12.734 338 HD21 LEU 38 3HD2 LEU 38 -0.520 -5.763 -12.146 339 HD22 LEU 38 1HD2 LEU 38 -0.460 -6.481 -13.757 340 HD23 LEU 38 2HD2 LEU 38 -0.569 -4.734 -13.578 341 H GLU 39 H GLU 39 3.924 -1.813 -13.550 342 HA GLU 39 HA GLU 39 3.918 -2.630 -16.298 343 HB2 GLU 39 2HB GLU 39 4.991 -0.057 -15.046 344 HB3 GLU 39 1HB GLU 39 4.697 -0.311 -16.755 345 HG2 GLU 39 2HG GLU 39 2.914 1.045 -15.882 346 HG3 GLU 39 1HG GLU 39 2.248 -0.539 -16.269 347 H GLN 40 H GLN 40 6.184 -3.084 -13.870 348 HA GLN 40 HA GLN 40 8.691 -2.701 -15.025 349 HB2 GLN 40 2HB GLN 40 7.801 -3.594 -12.579 350 HB3 GLN 40 1HB GLN 40 8.366 -5.108 -13.243 351 HG2 GLN 40 2HG GLN 40 10.116 -4.193 -11.926 352 HG3 GLN 40 1HG GLN 40 10.601 -3.999 -13.609 353 HE21 GLN 40 1HE2 GLN 40 10.561 -1.893 -14.522 354 HE22 GLN 40 2HE2 GLN 40 10.558 -0.478 -13.533 355 H ALA 41 H ALA 41 9.816 -3.789 -16.560 356 HA ALA 41 HA ALA 41 8.683 -5.805 -18.202 357 HB1 ALA 41 3HB ALA 41 10.398 -4.236 -19.016 358 HB2 ALA 41 1HB ALA 41 10.877 -5.911 -19.297 359 HB3 ALA 41 2HB ALA 41 11.606 -4.994 -17.973 360 H SER 42 H SER 42 10.534 -6.009 -15.267 361 HA SER 42 HA SER 42 10.162 -8.940 -15.254 362 HB2 SER 42 2HB SER 42 12.667 -7.536 -14.197 363 HB3 SER 42 1HB SER 42 12.341 -9.273 -14.181 364 HG SER 42 HG SER 42 12.252 -9.120 -16.515 365 H PHE 43 H PHE 43 8.168 -7.785 -14.166 366 HA PHE 43 HA PHE 43 8.532 -7.286 -11.356 367 HB2 PHE 43 2HB PHE 43 6.590 -6.333 -12.764 368 HB3 PHE 43 1HB PHE 43 5.879 -7.941 -12.734 369 HD1 PHE 43 HD1 PHE 43 7.139 -5.234 -10.474 370 HD2 PHE 43 HD2 PHE 43 4.476 -8.559 -10.867 371 HE1 PHE 43 HE1 PHE 43 6.139 -4.704 -8.308 372 HE2 PHE 43 HE2 PHE 43 3.489 -8.012 -8.704 373 HZ PHE 43 HZ PHE 43 4.308 -6.082 -7.410 374 HA PRO 44 HA PRO 44 9.232 -11.666 -10.429 375 HB2 PRO 44 2HB PRO 44 8.323 -10.870 -7.668 376 HB3 PRO 44 1HB PRO 44 9.812 -11.702 -8.171 377 HG2 PRO 44 2HG PRO 44 9.948 -9.153 -7.481 378 HG3 PRO 44 1HG PRO 44 10.834 -9.728 -8.914 379 HD2 PRO 44 2HD PRO 44 8.219 -8.222 -8.810 380 HD3 PRO 44 1HD PRO 44 9.624 -7.968 -9.870 381 H MET 45 H MET 45 6.137 -10.223 -10.113 382 HA MET 45 HA MET 45 4.798 -12.852 -9.851 383 HB2 MET 45 2HB MET 45 4.004 -10.131 -8.723 384 HB3 MET 45 1HB MET 45 2.884 -11.486 -8.819 385 HG2 MET 45 2HG MET 45 3.996 -12.699 -7.149 386 HG3 MET 45 1HG MET 45 5.514 -11.840 -7.386 387 HE1 MET 45 3HE MET 45 1.730 -10.969 -6.433 388 HE2 MET 45 1HE MET 45 2.374 -9.553 -7.272 389 HE3 MET 45 2HE MET 45 2.013 -9.470 -5.545 390 H ASN 46 H ASN 46 2.841 -13.094 -11.070 391 HA ASN 46 HA ASN 46 2.739 -11.745 -13.620 392 HB2 ASN 46 2HB ASN 46 0.741 -13.684 -12.378 393 HB3 ASN 46 1HB ASN 46 0.790 -13.206 -14.067 394 HD21 ASN 46 1HD2 ASN 46 0.996 -15.873 -12.791 395 HD22 ASN 46 2HD2 ASN 46 2.468 -16.558 -13.385 396 H GLU 47 H GLU 47 0.505 -10.990 -14.422 397 HA GLU 47 HA GLU 47 -0.257 -8.637 -13.061 398 HB2 GLU 47 2HB GLU 47 -1.666 -10.136 -15.306 399 HB3 GLU 47 1HB GLU 47 -2.004 -8.469 -14.836 400 HG2 GLU 47 2HG GLU 47 0.216 -7.758 -15.543 401 HG3 GLU 47 1HG GLU 47 0.707 -9.426 -15.836 402 H THR 48 H THR 48 -1.784 -11.839 -13.346 403 HA THR 48 HA THR 48 -4.211 -11.267 -11.993 404 HB THR 48 HB THR 48 -2.897 -14.015 -12.175 405 HG1 THR 48 HG1 THR 48 -3.438 -14.115 -14.256 406 HG21 THR 48 3HG2 THR 48 -5.203 -14.868 -12.253 407 HG22 THR 48 1HG2 THR 48 -5.843 -13.220 -12.224 408 HG23 THR 48 2HG2 THR 48 -5.005 -13.864 -10.815 409 H GLU 49 H GLU 49 -1.134 -12.720 -10.956 410 HA GLU 49 HA GLU 49 -1.717 -13.388 -8.295 411 HB2 GLU 49 2HB GLU 49 0.994 -12.432 -9.351 412 HB3 GLU 49 1HB GLU 49 0.722 -13.444 -7.932 413 HG2 GLU 49 2HG GLU 49 0.275 -14.229 -10.836 414 HG3 GLU 49 1HG GLU 49 1.605 -14.739 -9.800 415 H TYR 50 H TYR 50 -0.470 -10.451 -9.767 416 HA TYR 50 HA TYR 50 0.104 -9.021 -7.383 417 HB2 TYR 50 2HB TYR 50 1.365 -8.510 -9.376 418 HB3 TYR 50 1HB TYR 50 -0.103 -8.174 -10.295 419 HD1 TYR 50 HD1 TYR 50 1.780 -6.974 -7.265 420 HD2 TYR 50 HD2 TYR 50 -0.845 -5.954 -10.479 421 HE1 TYR 50 HE1 TYR 50 1.862 -4.622 -6.583 422 HE2 TYR 50 HE2 TYR 50 -0.746 -3.614 -9.814 423 HH TYR 50 HH TYR 50 1.500 -2.400 -7.681 424 H GLN 51 H GLN 51 -2.719 -9.099 -9.558 425 HA GLN 51 HA GLN 51 -3.958 -6.746 -8.520 426 HB2 GLN 51 2HB GLN 51 -4.484 -7.834 -10.768 427 HB3 GLN 51 1HB GLN 51 -5.367 -9.080 -9.894 428 HG2 GLN 51 2HG GLN 51 -6.900 -7.378 -10.780 429 HG3 GLN 51 1HG GLN 51 -6.928 -7.385 -9.014 430 HE21 GLN 51 1HE2 GLN 51 -7.627 -5.246 -8.806 431 HE22 GLN 51 2HE2 GLN 51 -6.662 -3.882 -9.242 432 H GLU 52 H GLU 52 -4.354 -10.212 -7.851 433 HA GLU 52 HA GLU 52 -6.277 -9.965 -5.750 434 HB2 GLU 52 2HB GLU 52 -4.363 -12.229 -6.439 435 HB3 GLU 52 1HB GLU 52 -5.725 -12.360 -5.320 436 HG2 GLU 52 2HG GLU 52 -7.303 -11.935 -7.136 437 HG3 GLU 52 1HG GLU 52 -5.971 -11.653 -8.258 438 H HIS 53 H HIS 53 -2.787 -9.736 -5.890 439 HA HIS 53 HA HIS 53 -2.191 -10.019 -3.116 440 HB2 HIS 53 2HB HIS 53 -0.360 -10.155 -4.719 441 HB3 HIS 53 1HB HIS 53 -0.717 -8.552 -5.347 442 HD1 HIS 53 HD1 HIS 53 0.522 -10.180 -2.148 443 HD2 HIS 53 HD2 HIS 53 0.730 -6.548 -4.153 444 HE1 HIS 53 HE1 HIS 53 2.182 -8.801 -0.874 445 HE2 HIS 53 HE2 HIS 53 2.457 -6.707 -2.248 446 H LEU 54 H LEU 54 -2.881 -7.167 -5.190 447 HA LEU 54 HA LEU 54 -2.733 -5.152 -3.217 448 HB2 LEU 54 2HB LEU 54 -4.440 -5.288 -5.732 449 HB3 LEU 54 1HB LEU 54 -4.252 -3.837 -4.753 450 HG LEU 54 HG LEU 54 -2.009 -5.237 -6.256 451 HD11 LEU 54 1HD1 LEU 54 -3.505 -2.690 -6.914 452 HD12 LEU 54 2HD1 LEU 54 -3.588 -4.219 -7.795 453 HD13 LEU 54 3HD1 LEU 54 -2.084 -3.302 -7.765 454 HD21 LEU 54 3HD2 LEU 54 -2.007 -2.620 -4.707 455 HD22 LEU 54 1HD2 LEU 54 -0.675 -3.235 -5.697 456 HD23 LEU 54 2HD2 LEU 54 -1.173 -4.109 -4.253 457 H ASP 55 H ASP 55 -5.328 -7.296 -4.255 458 HA ASP 55 HA ASP 55 -7.454 -6.131 -2.790 459 HB2 ASP 55 2HB ASP 55 -7.781 -7.625 -4.759 460 HB3 ASP 55 1HB ASP 55 -7.160 -8.981 -3.821 461 H SER 56 H SER 56 -5.142 -8.720 -2.065 462 HA SER 56 HA SER 56 -6.249 -9.580 0.397 463 HB2 SER 56 2HB SER 56 -4.641 -10.958 -0.907 464 HB3 SER 56 1HB SER 56 -3.363 -9.783 -0.580 465 HG SER 56 HG SER 56 -4.804 -10.912 1.556 466 H VAL 57 H VAL 57 -3.595 -7.339 -0.378 467 HA VAL 57 HA VAL 57 -2.889 -6.477 2.176 468 HB VAL 57 HB VAL 57 -2.750 -5.047 -0.523 469 HG11 VAL 57 1HG1 VAL 57 -2.814 -3.306 1.203 470 HG12 VAL 57 2HG1 VAL 57 -1.187 -3.419 0.535 471 HG13 VAL 57 3HG1 VAL 57 -1.542 -4.124 2.113 472 HG21 VAL 57 3HG2 VAL 57 -1.318 -7.057 -0.313 473 HG22 VAL 57 1HG2 VAL 57 -0.588 -6.404 1.156 474 HG23 VAL 57 2HG2 VAL 57 -0.325 -5.602 -0.396 475 H ALA 58 H ALA 58 -5.245 -5.116 -0.112 476 HA ALA 58 HA ALA 58 -6.082 -2.956 1.537 477 HB1 ALA 58 3HB ALA 58 -6.194 -2.851 -0.920 478 HB2 ALA 58 1HB ALA 58 -7.769 -2.539 -0.182 479 HB3 ALA 58 2HB ALA 58 -7.430 -4.109 -0.917 480 H ASN 59 H ASN 59 -7.008 -6.289 1.361 481 HA ASN 59 HA ASN 59 -9.556 -6.039 2.676 482 HB2 ASN 59 2HB ASN 59 -9.004 -8.032 1.285 483 HB3 ASN 59 1HB ASN 59 -7.746 -8.488 2.429 484 HD21 ASN 59 1HD2 ASN 59 -8.688 -10.461 2.954 485 HD22 ASN 59 2HD2 ASN 59 -10.168 -10.601 3.833 486 H TYR 60 H TYR 60 -6.189 -6.558 3.708 487 HA TYR 60 HA TYR 60 -6.770 -6.776 6.509 488 HB2 TYR 60 2HB TYR 60 -4.216 -6.194 4.976 489 HB3 TYR 60 1HB TYR 60 -4.257 -6.108 6.734 490 HD1 TYR 60 HD1 TYR 60 -5.107 -8.169 8.002 491 HD2 TYR 60 HD2 TYR 60 -3.828 -8.317 3.924 492 HE1 TYR 60 HE1 TYR 60 -4.792 -10.584 8.200 493 HE2 TYR 60 HE2 TYR 60 -3.520 -10.748 4.109 494 HH TYR 60 HH TYR 60 -4.748 -12.571 6.697 495 H LEU 61 H LEU 61 -5.914 -4.094 4.338 496 HA LEU 61 HA LEU 61 -5.836 -2.005 6.220 497 HB2 LEU 61 2HB LEU 61 -6.732 -1.924 3.307 498 HB3 LEU 61 1HB LEU 61 -6.304 -0.517 4.269 499 HG LEU 61 HG LEU 61 -4.389 -2.754 3.494 500 HD11 LEU 61 1HD1 LEU 61 -5.017 -1.409 1.549 501 HD12 LEU 61 2HD1 LEU 61 -3.327 -1.184 1.988 502 HD13 LEU 61 3HD1 LEU 61 -4.514 0.060 2.392 503 HD21 LEU 61 3HD2 LEU 61 -3.843 -0.163 4.969 504 HD22 LEU 61 1HD2 LEU 61 -2.616 -1.292 4.377 505 HD23 LEU 61 2HD2 LEU 61 -3.747 -1.802 5.625 506 H HIS 62 H HIS 62 -8.521 -3.584 4.581 507 HA HIS 62 HA HIS 62 -10.654 -1.996 5.628 508 HB2 HIS 62 2HB HIS 62 -11.048 -3.268 3.633 509 HB3 HIS 62 1HB HIS 62 -10.476 -4.751 4.375 510 HD1 HIS 62 HD1 HIS 62 -12.265 -6.310 5.017 511 HD2 HIS 62 HD2 HIS 62 -13.621 -2.375 4.992 512 HE1 HIS 62 HE1 HIS 62 -14.722 -6.435 5.523 513 HE2 HIS 62 HE2 HIS 62 -15.491 -4.040 5.628 514 H ALA 63 H ALA 63 -9.091 -5.030 6.659 515 HA ALA 63 HA ALA 63 -11.016 -5.695 8.695 516 HB1 ALA 63 3HB ALA 63 -9.527 -7.591 9.183 517 HB2 ALA 63 1HB ALA 63 -8.261 -6.874 8.180 518 HB3 ALA 63 2HB ALA 63 -9.768 -7.424 7.442 519 H LEU 64 H LEU 64 -8.159 -3.766 8.655 520 HA LEU 64 HA LEU 64 -7.836 -3.848 11.592 521 HB2 LEU 64 2HB LEU 64 -5.972 -2.730 9.453 522 HB3 LEU 64 1HB LEU 64 -5.619 -2.818 11.173 523 HG LEU 64 HG LEU 64 -5.986 -5.219 9.325 524 HD11 LEU 64 1HD1 LEU 64 -3.596 -5.614 9.542 525 HD12 LEU 64 2HD1 LEU 64 -3.412 -4.150 10.518 526 HD13 LEU 64 3HD1 LEU 64 -3.908 -4.032 8.827 527 HD21 LEU 64 3HD2 LEU 64 -6.712 -5.748 11.581 528 HD22 LEU 64 1HD2 LEU 64 -5.192 -5.144 12.251 529 HD23 LEU 64 2HD2 LEU 64 -5.203 -6.572 11.213 530 H GLY 65 H GLY 65 -8.919 -1.884 8.966 531 HA2 GLY 65 2HA GLY 65 -10.052 0.150 9.034 532 HA3 GLY 65 1HA GLY 65 -9.502 0.415 10.683 533 H GLY 66 H GLY 66 -7.158 -0.570 8.354 534 HA2 GLY 66 2HA GLY 66 -5.731 1.967 8.581 535 HA3 GLY 66 1HA GLY 66 -5.100 0.447 7.976 536 H ALA 67 H ALA 67 -8.051 0.958 6.468 537 HA ALA 67 HA ALA 67 -6.824 1.341 3.919 538 HB1 ALA 67 3HB ALA 67 -9.780 1.489 4.609 539 HB2 ALA 67 1HB ALA 67 -8.896 0.015 4.205 540 HB3 ALA 67 2HB ALA 67 -9.088 1.285 2.999 541 H VAL 68 H VAL 68 -8.920 3.429 5.929 542 HA VAL 68 HA VAL 68 -8.855 5.739 4.324 543 HB VAL 68 HB VAL 68 -9.184 5.537 7.360 544 HG11 VAL 68 1HG1 VAL 68 -10.273 7.768 7.238 545 HG12 VAL 68 2HG1 VAL 68 -9.876 7.866 5.521 546 HG13 VAL 68 3HG1 VAL 68 -8.587 7.845 6.724 547 HG21 VAL 68 3HG2 VAL 68 -10.896 4.249 6.117 548 HG22 VAL 68 1HG2 VAL 68 -11.300 5.683 5.168 549 HG23 VAL 68 2HG2 VAL 68 -11.620 5.652 6.904 550 H GLN 69 H GLN 69 -6.579 4.485 6.719 551 HA GLN 69 HA GLN 69 -4.990 6.794 7.110 552 HB2 GLN 69 2HB GLN 69 -4.017 3.912 7.284 553 HB3 GLN 69 1HB GLN 69 -3.332 5.312 8.108 554 HG2 GLN 69 2HG GLN 69 -6.087 4.143 8.641 555 HG3 GLN 69 1HG GLN 69 -4.650 3.789 9.591 556 HE21 GLN 69 1HE2 GLN 69 -5.606 4.526 11.480 557 HE22 GLN 69 2HE2 GLN 69 -5.889 6.201 11.797 558 H VAL 70 H VAL 70 -4.819 4.145 4.767 559 HA VAL 70 HA VAL 70 -2.423 4.923 3.429 560 HB VAL 70 HB VAL 70 -4.744 3.155 2.532 561 HG11 VAL 70 1HG1 VAL 70 -2.018 3.482 1.219 562 HG12 VAL 70 2HG1 VAL 70 -3.570 3.951 0.527 563 HG13 VAL 70 3HG1 VAL 70 -3.208 2.246 0.793 564 HG21 VAL 70 3HG2 VAL 70 -3.541 2.315 4.504 565 HG22 VAL 70 1HG2 VAL 70 -2.002 2.453 3.649 566 HG23 VAL 70 2HG2 VAL 70 -3.216 1.291 3.107 567 H LYS 71 H LYS 71 -5.878 5.407 2.700 568 HA LYS 71 HA LYS 71 -5.698 6.764 0.264 569 HB2 LYS 71 2HB LYS 71 -7.782 6.950 2.475 570 HB3 LYS 71 1HB LYS 71 -7.996 7.651 0.870 571 HG2 LYS 71 2HG LYS 71 -7.914 5.448 -0.167 572 HG3 LYS 71 1HG LYS 71 -7.523 4.692 1.375 573 HD2 LYS 71 2HD LYS 71 -9.880 4.333 0.820 574 HD3 LYS 71 1HD LYS 71 -9.739 5.338 2.266 575 HE2 LYS 71 2HE LYS 71 -11.504 6.155 0.746 576 HE3 LYS 71 1HE LYS 71 -10.221 7.351 0.922 577 HZ1 LYS 71 3HZ LYS 71 -10.519 5.468 -1.362 578 HZ2 LYS 71 1HZ LYS 71 -9.319 6.651 -1.199 579 HZ3 LYS 71 2HZ LYS 71 -10.936 7.107 -1.377 580 H THR 72 H THR 72 -5.833 8.054 3.559 581 HA THR 72 HA THR 72 -5.756 10.804 2.963 582 HB THR 72 HB THR 72 -4.940 9.316 5.497 583 HG1 THR 72 HG1 THR 72 -7.028 9.024 5.579 584 HG21 THR 72 3HG2 THR 72 -4.014 11.623 5.496 585 HG22 THR 72 1HG2 THR 72 -5.290 11.433 6.699 586 HG23 THR 72 2HG2 THR 72 -5.632 12.256 5.176 587 H PHE 73 H PHE 73 -3.173 8.462 3.820 588 HA PHE 73 HA PHE 73 -1.101 10.384 4.069 589 HB2 PHE 73 2HB PHE 73 -1.060 8.112 5.129 590 HB3 PHE 73 1HB PHE 73 -0.833 7.395 3.540 591 HD1 PHE 73 HD2 PHE 73 0.748 9.572 6.106 592 HD2 PHE 73 HD1 PHE 73 1.369 7.336 2.509 593 HE1 PHE 73 HE2 PHE 73 3.181 9.844 6.343 594 HE2 PHE 73 HE1 PHE 73 3.788 7.613 2.766 595 HZ PHE 73 HZ PHE 73 4.698 8.862 4.669 596 H ILE 74 H ILE 74 -2.002 8.202 1.370 597 HA ILE 74 HA ILE 74 0.156 8.894 -0.336 598 HB ILE 74 HB ILE 74 -2.517 7.568 -0.959 599 HG12 ILE 74 2HG1 ILE 74 0.318 6.476 -0.637 600 HG13 ILE 74 1HG1 ILE 74 -1.036 6.225 0.459 601 HG21 ILE 74 1HG2 ILE 74 -1.751 8.672 -3.026 602 HG22 ILE 74 2HG2 ILE 74 -1.612 6.922 -3.175 603 HG23 ILE 74 3HG2 ILE 74 -0.171 7.898 -2.876 604 HD11 ILE 74 3HD1 ILE 74 -0.577 4.240 -0.833 605 HD12 ILE 74 1HD1 ILE 74 -0.785 5.121 -2.345 606 HD13 ILE 74 2HD1 ILE 74 -2.160 4.882 -1.262 607 H THR 75 H THR 75 -3.130 10.216 0.006 608 HA THR 75 HA THR 75 -3.116 12.031 -2.165 609 HB THR 75 HB THR 75 -4.574 12.136 0.506 610 HG1 THR 75 HG1 THR 75 -4.999 10.360 -1.004 611 HG21 THR 75 3HG2 THR 75 -4.575 14.417 -0.445 612 HG22 THR 75 1HG2 THR 75 -6.182 13.695 -0.571 613 HG23 THR 75 2HG2 THR 75 -5.143 13.784 -1.993 614 H GLN 76 H GLN 76 -1.878 12.300 1.154 615 HA GLN 76 HA GLN 76 -1.242 15.099 1.032 616 HB2 GLN 76 2HB GLN 76 -0.421 12.922 2.994 617 HB3 GLN 76 1HB GLN 76 -0.000 14.625 3.197 618 HG2 GLN 76 2HG GLN 76 -2.401 15.191 3.331 619 HG3 GLN 76 1HG GLN 76 -2.822 13.493 3.128 620 HE21 GLN 76 1HE2 GLN 76 -2.236 12.012 4.811 621 HE22 GLN 76 2HE2 GLN 76 -1.982 12.568 6.427 622 H THR 77 H THR 77 0.729 12.095 0.787 623 HA THR 77 HA THR 77 3.212 13.501 0.809 624 HB THR 77 HB THR 77 3.152 11.227 1.688 625 HG1 THR 77 HG1 THR 77 5.116 11.982 0.864 626 HG21 THR 77 3HG2 THR 77 1.530 10.130 0.174 627 HG22 THR 77 1HG2 THR 77 3.045 9.221 0.228 628 HG23 THR 77 2HG2 THR 77 2.677 10.253 -1.159 629 H LYS 78 H LYS 78 3.979 14.658 -0.804 630 HA LYS 78 HA LYS 78 3.202 14.332 -3.580 631 HB2 LYS 78 2HB LYS 78 5.299 16.156 -2.328 632 HB3 LYS 78 1HB LYS 78 4.648 16.296 -3.961 633 HG2 LYS 78 2HG LYS 78 2.412 16.819 -3.012 634 HG3 LYS 78 1HG LYS 78 3.079 16.689 -1.378 635 HD2 LYS 78 2HD LYS 78 4.643 18.577 -1.901 636 HD3 LYS 78 1HD LYS 78 3.906 18.729 -3.500 637 HE2 LYS 78 2HE LYS 78 1.732 19.255 -2.408 638 HE3 LYS 78 1HE LYS 78 2.516 19.150 -0.830 639 HZ1 LYS 78 3HZ LYS 78 2.310 21.431 -1.609 640 HZ2 LYS 78 1HZ LYS 78 3.239 21.068 -2.977 641 HZ3 LYS 78 2HZ LYS 78 3.930 20.981 -1.437 642 H GLU 79 H GLU 79 5.385 12.811 -1.578 643 HA GLU 79 HA GLU 79 7.642 12.450 -3.320 644 HB2 GLU 79 2HB GLU 79 6.826 10.827 -0.868 645 HB3 GLU 79 1HB GLU 79 8.424 10.857 -1.623 646 HG2 GLU 79 2HG GLU 79 8.655 13.241 -1.008 647 HG3 GLU 79 1HG GLU 79 7.074 13.193 -0.217 648 H ARG 80 H ARG 80 8.253 10.473 -4.300 649 HA ARG 80 HA ARG 80 6.097 8.534 -4.912 650 HB2 ARG 80 2HB ARG 80 8.124 9.830 -6.780 651 HB3 ARG 80 1HB ARG 80 7.325 8.316 -7.202 652 HG2 ARG 80 2HG ARG 80 5.149 9.424 -7.010 653 HG3 ARG 80 1HG ARG 80 5.939 10.937 -6.606 654 HD2 ARG 80 2HD ARG 80 6.903 11.060 -8.836 655 HD3 ARG 80 1HD ARG 80 6.277 9.452 -9.231 656 HE ARG 80 HE ARG 80 4.141 11.101 -8.422 657 HH11 ARG 80 1HH1 ARG 80 6.322 10.808 -11.169 658 HH12 ARG 80 2HH1 ARG 80 5.185 11.498 -12.282 659 HH21 ARG 80 1HH2 ARG 80 2.674 11.970 -9.899 660 HH22 ARG 80 2HH2 ARG 80 3.123 12.153 -11.561 661 HA PRO 81 HA PRO 81 9.042 5.359 -3.621 662 HB2 PRO 81 2HB PRO 81 7.855 3.663 -5.797 663 HB3 PRO 81 1HB PRO 81 7.976 3.340 -4.055 664 HG2 PRO 81 2HG PRO 81 5.633 3.963 -5.181 665 HG3 PRO 81 1HG PRO 81 6.060 4.525 -3.549 666 HD2 PRO 81 2HD PRO 81 6.069 6.080 -6.134 667 HD3 PRO 81 1HD PRO 81 5.590 6.593 -4.502 668 H ARG 82 H ARG 82 11.102 5.485 -4.182 669 HA ARG 82 HA ARG 82 11.984 5.666 -7.014 670 HB2 ARG 82 2HB ARG 82 12.281 7.710 -5.417 671 HB3 ARG 82 1HB ARG 82 13.471 6.740 -4.569 672 HG2 ARG 82 2HG ARG 82 14.675 8.190 -6.018 673 HG3 ARG 82 1HG ARG 82 14.762 6.587 -6.758 674 HD2 ARG 82 2HD ARG 82 12.984 7.228 -8.354 675 HD3 ARG 82 1HD ARG 82 12.827 8.796 -7.551 676 HE ARG 82 HE ARG 82 15.429 8.078 -8.678 677 HH11 ARG 82 1HH1 ARG 82 12.533 10.038 -8.950 678 HH12 ARG 82 2HH1 ARG 82 13.241 11.132 -10.093 679 HH21 ARG 82 1HH2 ARG 82 16.337 9.526 -10.198 680 HH22 ARG 82 2HH2 ARG 82 15.382 10.842 -10.795 681 H LEU 83 H LEU 83 14.269 4.672 -7.319 682 HA LEU 83 HA LEU 83 14.363 2.014 -6.391 683 HB2 LEU 83 2HB LEU 83 15.466 2.770 -8.466 684 HB3 LEU 83 1HB LEU 83 16.620 3.703 -7.529 685 HG LEU 83 HG LEU 83 17.555 1.607 -6.570 686 HD11 LEU 83 1HD1 LEU 83 15.572 0.199 -6.623 687 HD12 LEU 83 2HD1 LEU 83 16.918 -0.591 -7.438 688 HD13 LEU 83 3HD1 LEU 83 15.623 0.147 -8.388 689 HD21 LEU 83 3HD2 LEU 83 18.577 2.546 -8.580 690 HD22 LEU 83 1HD2 LEU 83 17.495 1.595 -9.605 691 HD23 LEU 83 2HD2 LEU 83 18.687 0.791 -8.579 692 H GLY 84 H GLY 84 14.777 1.300 -4.402 693 HA2 GLY 84 2HA GLY 84 15.995 0.912 -2.456 694 HA3 GLY 84 1HA GLY 84 16.953 2.351 -2.746 695 H LYS 85 H LYS 85 13.915 3.366 -3.182 696 HA LYS 85 HA LYS 85 13.546 4.329 -0.404 697 HB2 LYS 85 2HB LYS 85 14.364 6.165 -1.752 698 HB3 LYS 85 1HB LYS 85 13.279 5.756 -3.066 699 HG2 LYS 85 2HG LYS 85 12.453 7.756 -2.016 700 HG3 LYS 85 1HG LYS 85 11.336 6.434 -1.663 701 HD2 LYS 85 2HD LYS 85 12.438 6.165 0.587 702 HD3 LYS 85 1HD LYS 85 13.435 7.580 0.221 703 HE2 LYS 85 2HE LYS 85 11.355 8.937 0.001 704 HE3 LYS 85 1HE LYS 85 10.412 7.513 0.459 705 HZ1 LYS 85 3HZ LYS 85 12.398 8.961 2.115 706 HZ2 LYS 85 1HZ LYS 85 11.716 7.478 2.553 707 HZ3 LYS 85 2HZ LYS 85 10.733 8.839 2.379 708 H ALA 86 H ALA 86 11.894 3.049 0.289 709 HA ALA 86 HA ALA 86 9.427 2.698 -1.263 710 HB1 ALA 86 3HB ALA 86 8.663 1.333 0.653 711 HB2 ALA 86 1HB ALA 86 10.120 1.769 1.553 712 HB3 ALA 86 2HB ALA 86 10.246 0.797 0.087 713 H VAL 87 H VAL 87 7.402 3.562 -0.581 714 HA VAL 87 HA VAL 87 7.498 5.919 1.194 715 HB VAL 87 HB VAL 87 5.287 4.982 -0.705 716 HG11 VAL 87 1HG1 VAL 87 5.450 7.570 0.899 717 HG12 VAL 87 2HG1 VAL 87 4.328 6.240 1.195 718 HG13 VAL 87 3HG1 VAL 87 4.207 7.178 -0.295 719 HG21 VAL 87 3HG2 VAL 87 5.935 6.923 -2.107 720 HG22 VAL 87 1HG2 VAL 87 7.276 5.791 -1.919 721 HG23 VAL 87 2HG2 VAL 87 7.256 7.295 -0.994 722 H SER 88 H SER 88 7.490 5.087 3.226 723 HA SER 88 HA SER 88 5.919 2.808 4.047 724 HB2 SER 88 2HB SER 88 8.161 3.186 4.979 725 HB3 SER 88 1HB SER 88 7.654 4.733 5.657 726 HG SER 88 HG SER 88 7.101 3.609 7.333 727 H ILE 89 H ILE 89 3.833 2.974 4.495 728 HA ILE 89 HA ILE 89 2.601 5.527 5.254 729 HB ILE 89 HB ILE 89 1.297 2.892 4.434 730 HG12 ILE 89 2HG1 ILE 89 1.732 5.411 2.763 731 HG13 ILE 89 1HG1 ILE 89 2.642 3.913 2.603 732 HG21 ILE 89 1HG2 ILE 89 0.037 5.642 4.772 733 HG22 ILE 89 2HG2 ILE 89 -0.202 4.247 5.827 734 HG23 ILE 89 3HG2 ILE 89 -0.780 4.199 4.163 735 HD11 ILE 89 3HD1 ILE 89 0.616 2.744 1.930 736 HD12 ILE 89 1HD1 ILE 89 0.973 4.113 0.880 737 HD13 ILE 89 2HD1 ILE 89 -0.309 4.243 2.083 738 HA PRO 90 HA PRO 90 2.531 3.666 9.463 739 HB2 PRO 90 2HB PRO 90 1.892 5.974 10.818 740 HB3 PRO 90 1HB PRO 90 3.543 5.610 10.276 741 HG2 PRO 90 2HG PRO 90 1.515 7.439 9.044 742 HG3 PRO 90 1HG PRO 90 3.273 7.643 9.198 743 HD2 PRO 90 2HD PRO 90 2.023 6.817 6.879 744 HD3 PRO 90 1HD PRO 90 3.713 6.446 7.278 745 H LEU 91 H LEU 91 0.798 2.403 9.703 746 HA LEU 91 HA LEU 91 -1.947 3.384 9.321 747 HB2 LEU 91 2HB LEU 91 -0.983 0.574 10.000 748 HB3 LEU 91 1HB LEU 91 -2.582 1.034 9.439 749 HG LEU 91 HG LEU 91 -0.023 1.165 7.789 750 HD11 LEU 91 1HD1 LEU 91 -2.334 -0.784 7.643 751 HD12 LEU 91 2HD1 LEU 91 -0.698 -1.126 8.212 752 HD13 LEU 91 3HD1 LEU 91 -0.969 -0.710 6.522 753 HD21 LEU 91 3HD2 LEU 91 -1.562 2.925 7.101 754 HD22 LEU 91 1HD2 LEU 91 -2.893 1.769 6.980 755 HD23 LEU 91 2HD2 LEU 91 -1.519 1.664 5.875 756 H ASP 92 H ASP 92 -2.828 4.331 11.088 757 HA ASP 92 HA ASP 92 -1.775 3.852 13.731 758 HB2 ASP 92 2HB ASP 92 -2.531 6.134 13.159 759 HB3 ASP 92 1HB ASP 92 -4.179 5.548 12.926 760 H LEU 93 H LEU 93 -2.194 1.712 14.131 761 HA LEU 93 HA LEU 93 -4.976 1.090 14.907 762 HB2 LEU 93 2HB LEU 93 -2.529 -0.726 14.987 763 HB3 LEU 93 1HB LEU 93 -4.199 -1.205 15.263 764 HG LEU 93 HG LEU 93 -2.921 -0.390 12.621 765 HD11 LEU 93 1HD1 LEU 93 -3.495 -2.646 11.900 766 HD12 LEU 93 2HD1 LEU 93 -4.170 -3.003 13.494 767 HD13 LEU 93 3HD1 LEU 93 -2.446 -2.668 13.316 768 HD21 LEU 93 3HD2 LEU 93 -5.858 -0.969 13.139 769 HD22 LEU 93 1HD2 LEU 93 -5.106 -0.774 11.551 770 HD23 LEU 93 2HD2 LEU 93 -5.157 0.583 12.670 771 H GLY 94 H GLY 94 -3.153 3.149 16.082 772 HA2 GLY 94 2HA GLY 94 -2.472 2.277 18.748 773 HA3 GLY 94 1HA GLY 94 -2.497 3.930 18.138 774 H GLU 95 H GLU 95 -4.827 4.645 17.501 775 HA GLU 95 HA GLU 95 -6.615 4.439 19.756 776 HB2 GLU 95 2HB GLU 95 -6.232 6.506 18.268 777 HB3 GLU 95 1HB GLU 95 -7.145 5.685 17.009 778 HG2 GLU 95 2HG GLU 95 -8.235 6.451 19.746 779 HG3 GLU 95 1HG GLU 95 -8.438 7.407 18.282 780 H ARG 96 H ARG 96 -6.599 3.426 16.342 781 HA ARG 96 HA ARG 96 -9.223 2.375 16.297 782 HB2 ARG 96 2HB ARG 96 -6.899 2.085 14.377 783 HB3 ARG 96 1HB ARG 96 -8.487 1.400 14.036 784 HG2 ARG 96 2HG ARG 96 -7.903 4.359 14.482 785 HG3 ARG 96 1HG ARG 96 -8.154 3.580 12.914 786 HD2 ARG 96 2HD ARG 96 -10.451 2.994 13.536 787 HD3 ARG 96 1HD ARG 96 -10.218 3.669 15.153 788 HE ARG 96 HE ARG 96 -9.651 5.683 13.309 789 HH11 ARG 96 1HH1 ARG 96 -12.468 3.822 14.303 790 HH12 ARG 96 2HH1 ARG 96 -13.585 5.085 13.917 791 HH21 ARG 96 1HH2 ARG 96 -11.136 7.323 12.810 792 HH22 ARG 96 2HH2 ARG 96 -12.827 7.067 13.070 793 H ALA 97 H ALA 97 -6.431 0.914 17.649 794 HA ALA 97 HA ALA 97 -6.813 -1.820 17.165 795 HB1 ALA 97 3HB ALA 97 -5.928 -0.508 19.763 796 HB2 ALA 97 1HB ALA 97 -4.880 -0.999 18.430 797 HB3 ALA 97 2HB ALA 97 -5.735 -2.220 19.367 798 H SER 98 H SER 98 -8.467 0.319 19.468 799 HA SER 98 HA SER 98 -9.457 -1.824 21.072 800 HB2 SER 98 2HB SER 98 -8.816 0.368 22.027 801 HB3 SER 98 1HB SER 98 -10.118 1.132 21.129 802 HG SER 98 HG SER 98 -11.137 0.786 22.943 803 H GLU 99 H GLU 99 -10.688 -0.563 18.144 804 HA GLU 99 HA GLU 99 -13.467 -1.231 18.792 805 HB2 GLU 99 2HB GLU 99 -14.008 -0.539 16.483 806 HB3 GLU 99 1HB GLU 99 -13.194 0.721 17.400 807 HG2 GLU 99 2HG GLU 99 -11.115 0.327 16.222 808 HG3 GLU 99 1HG GLU 99 -11.790 -1.082 15.401 809 H TRP 100 H TRP 100 -10.733 -2.704 17.043 810 HA TRP 100 HA TRP 100 -12.459 -5.042 16.409 811 HB2 TRP 100 2HB TRP 100 -10.668 -5.857 14.937 812 HB3 TRP 100 1HB TRP 100 -11.183 -4.247 14.476 813 HD1 TRP 100 HD1 TRP 100 -9.418 -2.219 15.454 814 HE1 TRP 100 HE1 TRP 100 -6.859 -2.229 15.349 815 HE3 TRP 100 HE3 TRP 100 -8.642 -7.256 14.957 816 HZ2 TRP 100 HZ2 TRP 100 -4.774 -4.098 15.114 817 HZ3 TRP 100 HZ3 TRP 100 -6.319 -8.077 14.815 818 HH2 TRP 100 HH2 TRP 100 -4.429 -6.525 14.893 819 H ILE 101 H ILE 101 -10.301 -3.969 18.758 820 HA ILE 101 HA ILE 101 -10.116 -6.693 19.923 821 HB ILE 101 HB ILE 101 -8.647 -4.106 20.662 822 HG12 ILE 101 2HG1 ILE 101 -6.588 -5.638 20.576 823 HG13 ILE 101 1HG1 ILE 101 -7.637 -6.891 19.927 824 HG21 ILE 101 1HG2 ILE 101 -9.434 -5.011 22.789 825 HG22 ILE 101 2HG2 ILE 101 -7.689 -5.241 22.663 826 HG23 ILE 101 3HG2 ILE 101 -8.780 -6.601 22.387 827 HD11 ILE 101 3HD1 ILE 101 -6.334 -5.796 18.210 828 HD12 ILE 101 1HD1 ILE 101 -7.035 -4.239 18.646 829 HD13 ILE 101 2HD1 ILE 101 -8.058 -5.509 17.968 830 H ILE 102 H ILE 102 -12.163 -7.010 20.650 831 HA ILE 102 HA ILE 102 -13.390 -5.023 22.490 832 HB ILE 102 HB ILE 102 -14.727 -7.279 20.918 833 HG12 ILE 102 2HG1 ILE 102 -14.116 -5.382 19.467 834 HG13 ILE 102 1HG1 ILE 102 -15.863 -5.446 19.661 835 HG21 ILE 102 1HG2 ILE 102 -16.883 -6.371 21.784 836 HG22 ILE 102 2HG2 ILE 102 -15.979 -5.259 22.816 837 HG23 ILE 102 3HG2 ILE 102 -15.851 -7.000 23.070 838 HD11 ILE 102 3HD1 ILE 102 -15.045 -3.180 19.706 839 HD12 ILE 102 1HD1 ILE 102 -13.980 -3.548 21.058 840 HD13 ILE 102 2HD1 ILE 102 -15.734 -3.599 21.274 841 H LEU 103 H LEU 103 -13.256 -5.531 24.582 842 HA LEU 103 HA LEU 103 -12.856 -8.354 25.402 843 HB2 LEU 103 2HB LEU 103 -11.543 -5.864 26.561 844 HB3 LEU 103 1HB LEU 103 -11.426 -7.467 27.270 845 HG LEU 103 HG LEU 103 -10.315 -6.652 24.545 846 HD11 LEU 103 1HD1 LEU 103 -9.038 -5.660 26.364 847 HD12 LEU 103 2HD1 LEU 103 -8.104 -6.919 25.563 848 HD13 LEU 103 3HD1 LEU 103 -8.848 -7.240 27.132 849 HD21 LEU 103 3HD2 LEU 103 -11.002 -9.002 24.524 850 HD22 LEU 103 1HD2 LEU 103 -10.076 -9.315 25.998 851 HD23 LEU 103 2HD2 LEU 103 -9.248 -8.868 24.503 852 H GLU 104 H GLU 104 -14.947 -8.721 25.906 853 HA GLU 104 HA GLU 104 -16.055 -7.385 28.282 854 HB2 GLU 104 2HB GLU 104 -18.348 -7.574 27.295 855 HB3 GLU 104 1HB GLU 104 -17.310 -6.434 26.446 856 HG2 GLU 104 2HG GLU 104 -16.978 -8.001 24.625 857 HG3 GLU 104 1HG GLU 104 -17.839 -9.268 25.497 Start of MODEL 12 1 H1 MET 1 1H MET 1 -11.869 0.673 1.390 2 H2 MET 1 2H MET 1 -11.681 -0.953 1.800 3 H3 MET 1 3H MET 1 -12.734 -0.515 0.558 4 HA MET 1 HA MET 1 -10.956 0.235 -0.797 5 HB2 MET 1 2HB MET 1 -9.465 1.024 1.047 6 HB3 MET 1 1HB MET 1 -9.133 -0.646 1.491 7 HG2 MET 1 2HG MET 1 -8.114 -0.993 -0.762 8 HG3 MET 1 1HG MET 1 -8.365 0.717 -1.104 9 HE1 MET 1 3HE MET 1 -5.894 2.422 1.420 10 HE2 MET 1 1HE MET 1 -7.622 2.158 1.652 11 HE3 MET 1 2HE MET 1 -7.011 2.684 0.081 12 H THR 2 H THR 2 -11.318 -1.331 -2.257 13 HA THR 2 HA THR 2 -10.728 -4.157 -1.740 14 HB THR 2 HB THR 2 -11.590 -4.503 -4.059 15 HG1 THR 2 HG1 THR 2 -12.666 -2.199 -4.701 16 HG21 THR 2 3HG2 THR 2 -13.436 -2.717 -2.427 17 HG22 THR 2 1HG2 THR 2 -13.253 -4.465 -2.232 18 HG23 THR 2 2HG2 THR 2 -13.924 -3.808 -3.724 19 H GLY 3 H GLY 3 -9.435 -5.232 -3.676 20 HA2 GLY 3 2HA GLY 3 -6.837 -4.203 -4.000 21 HA3 GLY 3 1HA GLY 3 -7.586 -5.412 -5.038 22 H GLN 4 H GLN 4 -9.753 -3.721 -5.870 23 HA GLN 4 HA GLN 4 -8.747 -2.296 -8.074 24 HB2 GLN 4 2HB GLN 4 -11.004 -3.162 -8.128 25 HB3 GLN 4 1HB GLN 4 -11.451 -2.275 -6.680 26 HG2 GLN 4 2HG GLN 4 -11.326 -0.158 -7.892 27 HG3 GLN 4 1HG GLN 4 -10.777 -0.996 -9.344 28 HE21 GLN 4 1HE2 GLN 4 -12.540 -0.199 -10.538 29 HE22 GLN 4 2HE2 GLN 4 -14.151 -0.777 -10.306 30 H GLU 5 H GLU 5 -10.213 -1.068 -5.011 31 HA GLU 5 HA GLU 5 -9.899 1.667 -5.580 32 HB2 GLU 5 2HB GLU 5 -9.986 0.409 -2.803 33 HB3 GLU 5 1HB GLU 5 -10.349 2.086 -3.205 34 HG2 GLU 5 2HG GLU 5 -11.949 -0.382 -3.876 35 HG3 GLU 5 1HG GLU 5 -12.415 0.965 -2.840 36 H LEU 6 H LEU 6 -7.753 -0.611 -3.987 37 HA LEU 6 HA LEU 6 -5.864 1.235 -2.947 38 HB2 LEU 6 2HB LEU 6 -6.168 -1.067 -2.101 39 HB3 LEU 6 1HB LEU 6 -5.596 -1.717 -3.627 40 HG LEU 6 HG LEU 6 -3.327 -0.862 -3.192 41 HD11 LEU 6 1HD1 LEU 6 -4.392 0.241 -0.577 42 HD12 LEU 6 2HD1 LEU 6 -3.853 1.190 -1.963 43 HD13 LEU 6 3HD1 LEU 6 -2.699 0.197 -1.078 44 HD21 LEU 6 3HD2 LEU 6 -3.876 -3.076 -2.368 45 HD22 LEU 6 1HD2 LEU 6 -4.479 -2.401 -0.852 46 HD23 LEU 6 2HD2 LEU 6 -2.766 -2.282 -1.255 47 H ARG 7 H ARG 7 -5.929 -0.776 -5.910 48 HA ARG 7 HA ARG 7 -3.474 0.073 -7.028 49 HB2 ARG 7 2HB ARG 7 -4.743 -1.945 -7.775 50 HB3 ARG 7 1HB ARG 7 -5.980 -0.903 -8.467 51 HG2 ARG 7 2HG ARG 7 -4.338 0.008 -10.064 52 HG3 ARG 7 1HG ARG 7 -3.075 -0.996 -9.349 53 HD2 ARG 7 2HD ARG 7 -4.265 -3.029 -10.056 54 HD3 ARG 7 1HD ARG 7 -5.577 -2.044 -10.720 55 HE ARG 7 HE ARG 7 -3.002 -1.399 -11.820 56 HH11 ARG 7 1HH1 ARG 7 -5.748 -3.581 -12.143 57 HH12 ARG 7 2HH1 ARG 7 -5.421 -3.923 -13.813 58 HH21 ARG 7 1HH2 ARG 7 -2.589 -1.873 -13.999 59 HH22 ARG 7 2HH2 ARG 7 -3.636 -2.958 -14.862 60 H GLN 8 H GLN 8 -6.775 1.285 -7.334 61 HA GLN 8 HA GLN 8 -6.310 3.227 -9.361 62 HB2 GLN 8 2HB GLN 8 -8.548 2.848 -7.326 63 HB3 GLN 8 1HB GLN 8 -8.574 4.121 -8.538 64 HG2 GLN 8 2HG GLN 8 -8.446 1.157 -9.166 65 HG3 GLN 8 1HG GLN 8 -9.916 2.126 -9.156 66 HE21 GLN 8 1HE2 GLN 8 -8.807 4.476 -10.388 67 HE22 GLN 8 2HE2 GLN 8 -8.515 4.071 -12.041 68 H LEU 9 H LEU 9 -5.992 3.232 -5.877 69 HA LEU 9 HA LEU 9 -5.767 6.044 -5.452 70 HB2 LEU 9 2HB LEU 9 -6.256 4.384 -3.669 71 HB3 LEU 9 1HB LEU 9 -4.661 3.685 -3.869 72 HG LEU 9 HG LEU 9 -3.619 5.757 -2.995 73 HD11 LEU 9 1HD1 LEU 9 -6.445 6.789 -2.652 74 HD12 LEU 9 2HD1 LEU 9 -5.222 7.416 -3.761 75 HD13 LEU 9 3HD1 LEU 9 -4.982 7.552 -2.021 76 HD21 LEU 9 3HD2 LEU 9 -4.185 3.986 -1.407 77 HD22 LEU 9 1HD2 LEU 9 -5.799 4.671 -1.180 78 HD23 LEU 9 2HD2 LEU 9 -4.370 5.570 -0.658 79 H LEU 10 H LEU 10 -3.479 3.473 -6.266 80 HA LEU 10 HA LEU 10 -1.074 5.048 -6.104 81 HB2 LEU 10 2HB LEU 10 -1.501 2.432 -7.598 82 HB3 LEU 10 1HB LEU 10 0.034 3.082 -7.038 83 HG LEU 10 HG LEU 10 -2.211 2.099 -5.232 84 HD11 LEU 10 1HD1 LEU 10 -0.798 0.169 -4.744 85 HD12 LEU 10 2HD1 LEU 10 0.394 0.725 -5.923 86 HD13 LEU 10 3HD1 LEU 10 -1.219 0.243 -6.455 87 HD21 LEU 10 3HD2 LEU 10 0.593 2.983 -4.511 88 HD22 LEU 10 1HD2 LEU 10 -0.580 2.261 -3.406 89 HD23 LEU 10 2HD2 LEU 10 -0.910 3.830 -4.133 90 H LEU 11 H LEU 11 -3.334 4.114 -8.651 91 HA LEU 11 HA LEU 11 -1.832 5.132 -10.877 92 HB2 LEU 11 2HB LEU 11 -4.760 4.337 -10.592 93 HB3 LEU 11 1HB LEU 11 -4.046 4.847 -12.117 94 HG LEU 11 HG LEU 11 -3.212 2.390 -10.525 95 HD11 LEU 11 1HD1 LEU 11 -5.418 2.124 -11.575 96 HD12 LEU 11 2HD1 LEU 11 -4.209 1.083 -12.324 97 HD13 LEU 11 3HD1 LEU 11 -4.731 2.560 -13.143 98 HD21 LEU 11 3HD2 LEU 11 -1.825 1.830 -12.478 99 HD22 LEU 11 1HD2 LEU 11 -1.307 3.332 -11.717 100 HD23 LEU 11 2HD2 LEU 11 -2.231 3.380 -13.221 101 H ASP 12 H ASP 12 -4.361 6.418 -8.786 102 HA ASP 12 HA ASP 12 -4.860 8.839 -10.225 103 HB2 ASP 12 2HB ASP 12 -6.489 7.958 -8.602 104 HB3 ASP 12 1HB ASP 12 -5.325 8.104 -7.291 105 H LYS 13 H LYS 13 -2.499 7.843 -7.817 106 HA LYS 13 HA LYS 13 -1.700 10.559 -7.165 107 HB2 LYS 13 2HB LYS 13 -1.806 8.732 -5.430 108 HB3 LYS 13 1HB LYS 13 -0.475 7.920 -6.247 109 HG2 LYS 13 2HG LYS 13 0.369 9.151 -4.334 110 HG3 LYS 13 1HG LYS 13 0.973 9.891 -5.822 111 HD2 LYS 13 2HD LYS 13 -0.910 11.581 -5.635 112 HD3 LYS 13 1HD LYS 13 -1.292 10.890 -4.053 113 HE2 LYS 13 2HE LYS 13 1.013 11.467 -3.295 114 HE3 LYS 13 1HE LYS 13 1.304 12.227 -4.867 115 HZ1 LYS 13 3HZ LYS 13 -0.588 13.712 -4.404 116 HZ2 LYS 13 1HZ LYS 13 0.657 13.881 -3.275 117 HZ3 LYS 13 2HZ LYS 13 -0.739 13.026 -2.870 118 H TRP 14 H TRP 14 0.120 7.679 -8.283 119 HA TRP 14 HA TRP 14 2.240 9.464 -9.339 120 HB2 TRP 14 2HB TRP 14 2.344 6.534 -8.519 121 HB3 TRP 14 1HB TRP 14 3.723 7.496 -9.052 122 HD1 TRP 14 HD1 TRP 14 4.033 9.854 -7.356 123 HE1 TRP 14 HE1 TRP 14 4.098 9.855 -4.788 124 HE3 TRP 14 HE3 TRP 14 1.681 5.395 -6.449 125 HZ2 TRP 14 HZ2 TRP 14 3.278 8.220 -2.655 126 HZ3 TRP 14 HZ3 TRP 14 1.371 4.693 -4.110 127 HH2 TRP 14 HH2 TRP 14 2.149 6.072 -2.250 128 H GLY 15 H GLY 15 -0.178 7.204 -10.299 129 HA2 GLY 15 2HA GLY 15 -0.944 6.848 -12.460 130 HA3 GLY 15 1HA GLY 15 0.510 7.589 -13.105 131 H TYR 16 H TYR 16 1.073 5.174 -10.775 132 HA TYR 16 HA TYR 16 1.289 3.008 -12.763 133 HB2 TYR 16 2HB TYR 16 3.549 3.886 -10.911 134 HB3 TYR 16 1HB TYR 16 3.531 2.360 -11.777 135 HD1 TYR 16 HD1 TYR 16 3.725 2.340 -14.282 136 HD2 TYR 16 HD2 TYR 16 4.164 5.943 -12.029 137 HE1 TYR 16 HE1 TYR 16 4.804 3.413 -16.214 138 HE2 TYR 16 HE2 TYR 16 5.245 7.020 -13.960 139 HH TYR 16 HH TYR 16 6.466 6.388 -15.993 140 H SER 17 H SER 17 1.194 0.953 -11.879 141 HA SER 17 HA SER 17 -0.237 0.728 -9.355 142 HB2 SER 17 2HB SER 17 0.408 -1.422 -11.437 143 HB3 SER 17 1HB SER 17 -0.779 -1.533 -10.135 144 HG SER 17 HG SER 17 -0.868 0.286 -12.323 145 H TYR 18 H TYR 18 1.416 1.032 -7.824 146 HA TYR 18 HA TYR 18 3.933 -0.406 -7.978 147 HB2 TYR 18 2HB TYR 18 2.779 1.484 -5.887 148 HB3 TYR 18 1HB TYR 18 4.374 0.747 -5.757 149 HD1 TYR 18 HD1 TYR 18 6.185 1.393 -7.316 150 HD2 TYR 18 HD2 TYR 18 2.383 3.316 -7.444 151 HE1 TYR 18 HE1 TYR 18 7.149 3.196 -8.662 152 HE2 TYR 18 HE2 TYR 18 3.344 5.106 -8.801 153 HH TYR 18 HH TYR 18 5.563 6.117 -9.228 154 H ASP 19 H ASP 19 4.648 -1.963 -6.566 155 HA ASP 19 HA ASP 19 2.717 -3.767 -5.431 156 HB2 ASP 19 2HB ASP 19 4.739 -4.685 -6.449 157 HB3 ASP 19 1HB ASP 19 5.768 -3.717 -5.395 158 H VAL 20 H VAL 20 1.733 -3.212 -3.584 159 HA VAL 20 HA VAL 20 3.229 -1.830 -1.429 160 HB VAL 20 HB VAL 20 0.987 -1.383 -0.408 161 HG11 VAL 20 1HG1 VAL 20 1.216 -0.404 -3.281 162 HG12 VAL 20 2HG1 VAL 20 1.993 0.315 -1.869 163 HG13 VAL 20 3HG1 VAL 20 0.236 0.338 -2.008 164 HG21 VAL 20 3HG2 VAL 20 -0.285 -3.281 -1.314 165 HG22 VAL 20 1HG2 VAL 20 -0.158 -2.614 -2.943 166 HG23 VAL 20 2HG2 VAL 20 -1.086 -1.760 -1.706 167 H GLN 21 H GLN 21 3.698 -2.885 0.403 168 HA GLN 21 HA GLN 21 2.528 -5.512 1.006 169 HB2 GLN 21 2HB GLN 21 4.831 -6.509 1.260 170 HB3 GLN 21 1HB GLN 21 4.400 -6.122 -0.403 171 HG2 GLN 21 2HG GLN 21 5.791 -4.127 -0.356 172 HG3 GLN 21 1HG GLN 21 6.141 -4.368 1.354 173 HE21 GLN 21 1HE2 GLN 21 6.740 -5.561 -1.870 174 HE22 GLN 21 2HE2 GLN 21 8.138 -6.489 -1.475 175 H PHE 22 H PHE 22 2.595 -6.064 3.129 176 HA PHE 22 HA PHE 22 2.970 -3.985 5.068 177 HB2 PHE 22 2HB PHE 22 2.222 -6.926 5.323 178 HB3 PHE 22 1HB PHE 22 2.328 -5.837 6.702 179 HD1 PHE 22 HD1 PHE 22 0.923 -3.603 6.519 180 HD2 PHE 22 HD2 PHE 22 0.137 -7.136 4.235 181 HE1 PHE 22 HE1 PHE 22 -1.391 -2.862 6.154 182 HE2 PHE 22 HE2 PHE 22 -2.168 -6.380 3.887 183 HZ PHE 22 HZ PHE 22 -2.935 -4.247 4.835 184 H ARG 23 H ARG 23 4.433 -3.873 6.726 185 HA ARG 23 HA ARG 23 6.607 -5.816 6.961 186 HB2 ARG 23 2HB ARG 23 7.457 -4.083 5.391 187 HB3 ARG 23 1HB ARG 23 7.070 -2.817 6.555 188 HG2 ARG 23 2HG ARG 23 8.719 -3.742 8.141 189 HG3 ARG 23 1HG ARG 23 9.091 -5.052 7.015 190 HD2 ARG 23 2HD ARG 23 9.910 -3.397 5.375 191 HD3 ARG 23 1HD ARG 23 9.528 -2.097 6.505 192 HE ARG 23 HE ARG 23 11.256 -2.933 7.972 193 HH11 ARG 23 1HH1 ARG 23 11.348 -4.206 4.685 194 HH12 ARG 23 2HH1 ARG 23 13.026 -4.643 4.789 195 HH21 ARG 23 1HH2 ARG 23 13.447 -3.497 8.069 196 HH22 ARG 23 2HH2 ARG 23 14.207 -4.244 6.696 197 H ARG 24 H ARG 24 6.978 -6.200 9.027 198 HA ARG 24 HA ARG 24 5.749 -4.475 11.098 199 HB2 ARG 24 2HB ARG 24 6.396 -7.455 11.152 200 HB3 ARG 24 1HB ARG 24 5.690 -6.539 12.478 201 HG2 ARG 24 2HG ARG 24 3.706 -6.046 11.024 202 HG3 ARG 24 1HG ARG 24 4.398 -7.095 9.784 203 HD2 ARG 24 2HD ARG 24 2.693 -8.274 11.103 204 HD3 ARG 24 1HD ARG 24 4.284 -9.009 11.335 205 HE ARG 24 HE ARG 24 4.046 -7.186 13.371 206 HH11 ARG 24 1HH1 ARG 24 2.121 -9.957 12.352 207 HH12 ARG 24 2HH1 ARG 24 1.573 -10.309 13.961 208 HH21 ARG 24 1HH2 ARG 24 3.342 -7.675 15.468 209 HH22 ARG 24 2HH2 ARG 24 2.266 -9.016 15.724 210 H THR 25 H THR 25 7.275 -3.229 12.017 211 HA THR 25 HA THR 25 9.799 -4.455 12.922 212 HB THR 25 HB THR 25 10.448 -3.330 10.877 213 HG1 THR 25 HG1 THR 25 11.541 -1.361 12.284 214 HG21 THR 25 3HG2 THR 25 9.203 -0.782 11.975 215 HG22 THR 25 1HG2 THR 25 8.583 -1.733 10.616 216 HG23 THR 25 2HG2 THR 25 10.144 -0.923 10.490 217 H GLN 26 H GLN 26 10.390 -3.869 14.907 218 HA GLN 26 HA GLN 26 10.616 -2.880 16.900 219 HB2 GLN 26 2HB GLN 26 9.144 -0.456 15.781 220 HB3 GLN 26 1HB GLN 26 10.129 -0.494 17.239 221 HG2 GLN 26 2HG GLN 26 11.138 -0.900 14.405 222 HG3 GLN 26 1HG GLN 26 11.323 0.569 15.360 223 HE21 GLN 26 1HE2 GLN 26 13.352 -1.193 14.134 224 HE22 GLN 26 2HE2 GLN 26 14.393 -1.668 15.431 225 H GLY 27 H GLY 27 7.571 -3.606 15.636 226 HA2 GLY 27 2HA GLY 27 6.011 -4.655 17.277 227 HA3 GLY 27 1HA GLY 27 6.161 -3.185 18.238 228 H LYS 28 H LYS 28 6.274 -1.887 15.338 229 HA LYS 28 HA LYS 28 3.357 -1.503 15.091 230 HB2 LYS 28 2HB LYS 28 5.730 0.139 14.108 231 HB3 LYS 28 1HB LYS 28 4.039 0.553 13.814 232 HG2 LYS 28 2HG LYS 28 3.627 0.876 16.165 233 HG3 LYS 28 1HG LYS 28 5.227 0.249 16.583 234 HD2 LYS 28 2HD LYS 28 6.302 2.156 15.503 235 HD3 LYS 28 1HD LYS 28 4.737 2.774 14.954 236 HE2 LYS 28 2HE LYS 28 5.602 2.485 17.853 237 HE3 LYS 28 1HE LYS 28 5.541 3.989 16.937 238 HZ1 LYS 28 3HZ LYS 28 3.206 2.268 17.576 239 HZ2 LYS 28 1HZ LYS 28 3.152 3.708 16.696 240 HZ3 LYS 28 2HZ LYS 28 3.591 3.731 18.325 241 H ILE 29 H ILE 29 2.590 -1.009 12.844 242 HA ILE 29 HA ILE 29 3.707 -2.883 10.849 243 HB ILE 29 HB ILE 29 1.584 -3.742 11.714 244 HG12 ILE 29 2HG1 ILE 29 0.266 -3.941 9.595 245 HG13 ILE 29 1HG1 ILE 29 1.211 -2.635 8.890 246 HG21 ILE 29 1HG2 ILE 29 0.583 -1.661 12.530 247 HG22 ILE 29 2HG2 ILE 29 -0.550 -2.541 11.501 248 HG23 ILE 29 3HG2 ILE 29 0.302 -1.130 10.870 249 HD11 ILE 29 3HD1 ILE 29 2.276 -5.318 9.766 250 HD12 ILE 29 1HD1 ILE 29 3.224 -4.024 9.026 251 HD13 ILE 29 2HD1 ILE 29 1.943 -4.817 8.112 252 H PHE 30 H PHE 30 4.115 -2.094 8.871 253 HA PHE 30 HA PHE 30 3.329 0.659 8.120 254 HB2 PHE 30 2HB PHE 30 6.113 -0.592 7.855 255 HB3 PHE 30 1HB PHE 30 5.642 0.964 7.182 256 HD1 PHE 30 HD2 PHE 30 6.300 -0.871 10.354 257 HD2 PHE 30 HD1 PHE 30 5.574 2.955 8.570 258 HE1 PHE 30 HE2 PHE 30 6.968 0.237 12.447 259 HE2 PHE 30 HE1 PHE 30 6.247 4.049 10.670 260 HZ PHE 30 HZ PHE 30 6.943 2.695 12.608 261 H LEU 31 H LEU 31 2.395 0.653 6.136 262 HA LEU 31 HA LEU 31 2.738 -1.636 4.334 263 HB2 LEU 31 2HB LEU 31 0.440 -0.757 4.688 264 HB3 LEU 31 1HB LEU 31 0.937 0.818 4.081 265 HG LEU 31 HG LEU 31 1.429 -0.232 1.840 266 HD11 LEU 31 1HD1 LEU 31 0.627 -2.488 1.350 267 HD12 LEU 31 2HD1 LEU 31 0.217 -2.724 3.053 268 HD13 LEU 31 3HD1 LEU 31 1.900 -2.497 2.569 269 HD21 LEU 31 3HD2 LEU 31 -1.411 -0.655 2.806 270 HD22 LEU 31 1HD2 LEU 31 -0.893 -0.529 1.120 271 HD23 LEU 31 2HD2 LEU 31 -0.729 0.856 2.199 272 H GLN 32 H GLN 32 4.701 -1.473 3.310 273 HA GLN 32 HA GLN 32 5.715 1.109 2.414 274 HB2 GLN 32 2HB GLN 32 6.957 -1.669 2.259 275 HB3 GLN 32 1HB GLN 32 7.755 -0.177 1.760 276 HG2 GLN 32 2HG GLN 32 7.341 0.636 4.182 277 HG3 GLN 32 1HG GLN 32 6.987 -1.050 4.553 278 HE21 GLN 32 1HE2 GLN 32 9.158 0.674 5.532 279 HE22 GLN 32 2HE2 GLN 32 10.626 -0.139 5.124 280 H VAL 33 H VAL 33 4.926 1.858 0.614 281 HA VAL 33 HA VAL 33 4.183 0.384 -1.712 282 HB VAL 33 HB VAL 33 4.940 3.339 -1.473 283 HG11 VAL 33 1HG1 VAL 33 3.280 1.925 -3.591 284 HG12 VAL 33 2HG1 VAL 33 4.916 2.553 -3.807 285 HG13 VAL 33 3HG1 VAL 33 3.578 3.664 -3.506 286 HG21 VAL 33 3HG2 VAL 33 2.530 3.810 -1.222 287 HG22 VAL 33 1HG2 VAL 33 3.128 2.805 0.102 288 HG23 VAL 33 2HG2 VAL 33 2.188 2.079 -1.205 289 H MET 34 H MET 34 5.821 -0.873 -2.530 290 HA MET 34 HA MET 34 8.555 -0.193 -2.798 291 HB2 MET 34 2HB MET 34 6.873 -2.147 -4.436 292 HB3 MET 34 1HB MET 34 8.626 -2.047 -4.511 293 HG2 MET 34 2HG MET 34 7.089 -2.769 -2.008 294 HG3 MET 34 1HG MET 34 7.715 -3.945 -3.155 295 HE1 MET 34 3HE MET 34 10.062 -1.802 0.120 296 HE2 MET 34 1HE MET 34 8.362 -2.268 0.123 297 HE3 MET 34 2HE MET 34 8.898 -0.886 -0.837 298 H TRP 35 H TRP 35 9.690 0.560 -4.554 299 HA TRP 35 HA TRP 35 8.548 2.312 -6.486 300 HB2 TRP 35 2HB TRP 35 10.913 2.333 -7.407 301 HB3 TRP 35 1HB TRP 35 10.795 2.730 -5.697 302 HD1 TRP 35 HD1 TRP 35 12.250 0.093 -8.052 303 HE1 TRP 35 HE1 TRP 35 13.772 -1.476 -6.715 304 HE3 TRP 35 HE3 TRP 35 11.118 1.654 -3.298 305 HZ2 TRP 35 HZ2 TRP 35 14.416 -2.012 -4.027 306 HZ3 TRP 35 HZ3 TRP 35 12.226 0.549 -1.397 307 HH2 TRP 35 HH2 TRP 35 13.845 -1.252 -1.758 308 H LYS 36 H LYS 36 8.989 -1.066 -6.357 309 HA LYS 36 HA LYS 36 9.159 -1.672 -9.144 310 HB2 LYS 36 2HB LYS 36 8.233 -3.400 -6.811 311 HB3 LYS 36 1HB LYS 36 8.690 -3.990 -8.409 312 HG2 LYS 36 2HG LYS 36 11.001 -3.289 -8.059 313 HG3 LYS 36 1HG LYS 36 10.574 -2.539 -6.515 314 HD2 LYS 36 2HD LYS 36 9.933 -4.785 -5.626 315 HD3 LYS 36 1HD LYS 36 10.418 -5.518 -7.157 316 HE2 LYS 36 2HE LYS 36 12.738 -4.795 -6.778 317 HE3 LYS 36 1HE LYS 36 12.256 -4.002 -5.276 318 HZ1 LYS 36 3HZ LYS 36 13.232 -6.180 -4.863 319 HZ2 LYS 36 1HZ LYS 36 12.051 -6.922 -5.817 320 HZ3 LYS 36 2HZ LYS 36 11.614 -6.152 -4.379 321 H TYR 37 H TYR 37 7.506 -0.777 -10.321 322 HA TYR 37 HA TYR 37 4.703 -1.349 -9.605 323 HB2 TYR 37 2HB TYR 37 4.232 0.121 -11.680 324 HB3 TYR 37 1HB TYR 37 4.857 0.904 -10.240 325 HD1 TYR 37 HD2 TYR 37 5.839 -0.269 -13.654 326 HD2 TYR 37 HD1 TYR 37 6.924 2.110 -10.298 327 HE1 TYR 37 HE2 TYR 37 7.636 0.778 -14.962 328 HE2 TYR 37 HE1 TYR 37 8.713 3.159 -11.591 329 HH TYR 37 HH TYR 37 10.080 2.706 -13.535 330 H LEU 38 H LEU 38 3.267 -2.045 -11.427 331 HA LEU 38 HA LEU 38 4.041 -4.646 -12.151 332 HB2 LEU 38 2HB LEU 38 1.714 -3.947 -11.659 333 HB3 LEU 38 1HB LEU 38 1.669 -3.029 -13.155 334 HG LEU 38 HG LEU 38 1.869 -5.158 -14.461 335 HD11 LEU 38 1HD1 LEU 38 3.106 -6.535 -12.860 336 HD12 LEU 38 2HD1 LEU 38 1.624 -7.340 -13.368 337 HD13 LEU 38 3HD1 LEU 38 1.708 -6.574 -11.778 338 HD21 LEU 38 3HD2 LEU 38 -0.427 -5.177 -12.477 339 HD22 LEU 38 1HD2 LEU 38 -0.389 -6.008 -14.035 340 HD23 LEU 38 2HD2 LEU 38 -0.357 -4.246 -13.976 341 H GLU 39 H GLU 39 4.428 -1.664 -13.908 342 HA GLU 39 HA GLU 39 4.538 -2.754 -16.556 343 HB2 GLU 39 2HB GLU 39 5.776 -0.128 -15.643 344 HB3 GLU 39 1HB GLU 39 5.311 -0.577 -17.278 345 HG2 GLU 39 2HG GLU 39 3.449 -0.031 -14.956 346 HG3 GLU 39 1HG GLU 39 3.727 1.008 -16.353 347 H GLN 40 H GLN 40 6.753 -2.885 -13.972 348 HA GLN 40 HA GLN 40 9.251 -2.982 -15.331 349 HB2 GLN 40 2HB GLN 40 8.320 -4.372 -12.768 350 HB3 GLN 40 1HB GLN 40 9.984 -4.393 -13.336 351 HG2 GLN 40 2HG GLN 40 8.438 -1.909 -12.559 352 HG3 GLN 40 1HG GLN 40 9.608 -2.745 -11.534 353 HE21 GLN 40 1HE2 GLN 40 9.670 0.006 -12.507 354 HE22 GLN 40 2HE2 GLN 40 11.141 0.176 -13.394 355 H ALA 41 H ALA 41 10.009 -4.497 -16.721 356 HA ALA 41 HA ALA 41 8.599 -6.855 -17.490 357 HB1 ALA 41 3HB ALA 41 11.494 -6.083 -18.047 358 HB2 ALA 41 1HB ALA 41 10.100 -5.661 -19.043 359 HB3 ALA 41 2HB ALA 41 10.586 -7.349 -18.884 360 H SER 42 H SER 42 11.151 -6.174 -15.191 361 HA SER 42 HA SER 42 11.517 -9.022 -14.483 362 HB2 SER 42 2HB SER 42 13.522 -7.518 -14.897 363 HB3 SER 42 1HB SER 42 13.070 -6.580 -13.472 364 HG SER 42 HG SER 42 14.621 -8.161 -12.958 365 H PHE 43 H PHE 43 9.052 -7.426 -13.838 366 HA PHE 43 HA PHE 43 8.960 -7.088 -10.996 367 HB2 PHE 43 2HB PHE 43 7.406 -5.972 -12.720 368 HB3 PHE 43 1HB PHE 43 6.581 -7.516 -12.869 369 HD1 PHE 43 HD1 PHE 43 7.653 -5.053 -10.255 370 HD2 PHE 43 HD2 PHE 43 4.698 -7.884 -11.484 371 HE1 PHE 43 HE1 PHE 43 6.256 -4.448 -8.337 372 HE2 PHE 43 HE2 PHE 43 3.313 -7.270 -9.566 373 HZ PHE 43 HZ PHE 43 4.083 -5.550 -7.982 374 HA PRO 44 HA PRO 44 9.028 -11.450 -10.044 375 HB2 PRO 44 2HB PRO 44 8.170 -11.432 -7.431 376 HB3 PRO 44 1HB PRO 44 9.748 -10.784 -7.924 377 HG2 PRO 44 2HG PRO 44 7.176 -9.287 -7.474 378 HG3 PRO 44 1HG PRO 44 8.799 -8.930 -6.836 379 HD2 PRO 44 2HD PRO 44 7.871 -7.628 -8.984 380 HD3 PRO 44 1HD PRO 44 9.581 -8.115 -8.900 381 H MET 45 H MET 45 6.025 -9.759 -10.099 382 HA MET 45 HA MET 45 4.466 -12.286 -10.020 383 HB2 MET 45 2HB MET 45 3.679 -9.537 -8.955 384 HB3 MET 45 1HB MET 45 2.544 -10.866 -9.146 385 HG2 MET 45 2HG MET 45 3.806 -12.194 -7.515 386 HG3 MET 45 1HG MET 45 4.974 -10.884 -7.340 387 HE1 MET 45 3HE MET 45 2.840 -8.080 -5.656 388 HE2 MET 45 1HE MET 45 3.106 -8.289 -7.388 389 HE3 MET 45 2HE MET 45 4.433 -8.545 -6.252 390 H ASN 46 H ASN 46 2.590 -12.330 -11.366 391 HA ASN 46 HA ASN 46 2.643 -10.488 -13.697 392 HB2 ASN 46 2HB ASN 46 1.250 -13.192 -13.356 393 HB3 ASN 46 1HB ASN 46 1.129 -12.171 -14.788 394 HD21 ASN 46 1HD2 ASN 46 3.061 -14.446 -13.077 395 HD22 ASN 46 2HD2 ASN 46 4.327 -14.566 -14.247 396 H GLU 47 H GLU 47 0.197 -10.336 -14.559 397 HA GLU 47 HA GLU 47 -0.848 -8.273 -13.027 398 HB2 GLU 47 2HB GLU 47 -2.303 -9.869 -15.173 399 HB3 GLU 47 1HB GLU 47 -2.689 -8.228 -14.653 400 HG2 GLU 47 2HG GLU 47 -0.527 -7.421 -15.517 401 HG3 GLU 47 1HG GLU 47 -0.091 -9.062 -15.999 402 H THR 48 H THR 48 -2.007 -11.638 -13.263 403 HA THR 48 HA THR 48 -4.454 -11.334 -11.888 404 HB THR 48 HB THR 48 -2.764 -13.860 -12.162 405 HG1 THR 48 HG1 THR 48 -4.806 -12.839 -13.875 406 HG21 THR 48 3HG2 THR 48 -4.597 -14.108 -10.501 407 HG22 THR 48 1HG2 THR 48 -4.915 -15.071 -11.950 408 HG23 THR 48 2HG2 THR 48 -5.759 -13.543 -11.702 409 H GLU 49 H GLU 49 -1.397 -12.840 -10.709 410 HA GLU 49 HA GLU 49 -2.292 -13.137 -8.032 411 HB2 GLU 49 2HB GLU 49 0.065 -13.741 -7.505 412 HB3 GLU 49 1HB GLU 49 -0.590 -14.634 -8.862 413 HG2 GLU 49 2HG GLU 49 0.921 -12.194 -9.602 414 HG3 GLU 49 1HG GLU 49 1.869 -13.446 -8.808 415 H TYR 50 H TYR 50 -0.629 -10.549 -9.709 416 HA TYR 50 HA TYR 50 0.234 -9.089 -7.422 417 HB2 TYR 50 2HB TYR 50 1.339 -8.528 -9.455 418 HB3 TYR 50 1HB TYR 50 -0.174 -8.339 -10.342 419 HD1 TYR 50 HD1 TYR 50 1.689 -6.838 -7.426 420 HD2 TYR 50 HD2 TYR 50 -0.983 -6.145 -10.693 421 HE1 TYR 50 HE1 TYR 50 1.648 -4.447 -6.882 422 HE2 TYR 50 HE2 TYR 50 -1.014 -3.753 -10.151 423 HH TYR 50 HH TYR 50 1.099 -2.342 -7.858 424 H GLN 51 H GLN 51 -2.725 -9.004 -9.410 425 HA GLN 51 HA GLN 51 -3.875 -6.693 -8.196 426 HB2 GLN 51 2HB GLN 51 -4.477 -8.064 -10.462 427 HB3 GLN 51 1HB GLN 51 -5.682 -8.790 -9.414 428 HG2 GLN 51 2HG GLN 51 -5.391 -5.816 -9.954 429 HG3 GLN 51 1HG GLN 51 -6.552 -6.874 -10.745 430 HE21 GLN 51 1HE2 GLN 51 -6.979 -4.457 -9.105 431 HE22 GLN 51 2HE2 GLN 51 -8.046 -4.937 -7.836 432 H GLU 52 H GLU 52 -4.184 -10.172 -7.668 433 HA GLU 52 HA GLU 52 -6.048 -10.063 -5.509 434 HB2 GLU 52 2HB GLU 52 -4.119 -12.293 -6.292 435 HB3 GLU 52 1HB GLU 52 -5.499 -12.457 -5.206 436 HG2 GLU 52 2HG GLU 52 -7.038 -11.895 -7.065 437 HG3 GLU 52 1HG GLU 52 -5.664 -11.736 -8.154 438 H HIS 53 H HIS 53 -2.547 -9.834 -5.716 439 HA HIS 53 HA HIS 53 -1.910 -10.060 -2.956 440 HB2 HIS 53 2HB HIS 53 -0.068 -10.193 -4.508 441 HB3 HIS 53 1HB HIS 53 -0.515 -8.685 -5.292 442 HD1 HIS 53 HD1 HIS 53 1.120 -10.003 -2.147 443 HD2 HIS 53 HD2 HIS 53 0.621 -6.421 -4.188 444 HE1 HIS 53 HE1 HIS 53 2.652 -8.356 -1.021 445 HE2 HIS 53 HE2 HIS 53 2.512 -6.295 -2.455 446 H LEU 54 H LEU 54 -2.770 -7.275 -5.028 447 HA LEU 54 HA LEU 54 -2.626 -5.236 -3.068 448 HB2 LEU 54 2HB LEU 54 -4.442 -5.405 -5.508 449 HB3 LEU 54 1HB LEU 54 -4.136 -3.944 -4.579 450 HG LEU 54 HG LEU 54 -2.041 -5.460 -6.184 451 HD11 LEU 54 1HD1 LEU 54 -3.482 -2.871 -6.807 452 HD12 LEU 54 2HD1 LEU 54 -3.692 -4.415 -7.637 453 HD13 LEU 54 3HD1 LEU 54 -2.154 -3.565 -7.736 454 HD21 LEU 54 3HD2 LEU 54 -0.612 -3.494 -5.782 455 HD22 LEU 54 1HD2 LEU 54 -1.034 -4.309 -4.278 456 HD23 LEU 54 2HD2 LEU 54 -1.844 -2.805 -4.721 457 H ASP 55 H ASP 55 -5.190 -7.414 -4.094 458 HA ASP 55 HA ASP 55 -7.301 -6.350 -2.522 459 HB2 ASP 55 2HB ASP 55 -7.607 -7.771 -4.571 460 HB3 ASP 55 1HB ASP 55 -7.007 -9.167 -3.681 461 H SER 56 H SER 56 -4.835 -8.796 -1.970 462 HA SER 56 HA SER 56 -5.753 -9.823 0.507 463 HB2 SER 56 2HB SER 56 -4.085 -11.008 -0.886 464 HB3 SER 56 1HB SER 56 -2.919 -9.710 -0.623 465 HG SER 56 HG SER 56 -3.719 -10.470 1.763 466 H VAL 57 H VAL 57 -3.567 -7.178 -0.368 467 HA VAL 57 HA VAL 57 -2.807 -6.401 2.247 468 HB VAL 57 HB VAL 57 -2.799 -4.912 -0.411 469 HG11 VAL 57 1HG1 VAL 57 -1.616 -3.958 2.219 470 HG12 VAL 57 2HG1 VAL 57 -2.974 -3.226 1.361 471 HG13 VAL 57 3HG1 VAL 57 -1.363 -3.200 0.644 472 HG21 VAL 57 3HG2 VAL 57 -1.227 -6.809 -0.247 473 HG22 VAL 57 1HG2 VAL 57 -0.528 -6.116 1.220 474 HG23 VAL 57 2HG2 VAL 57 -0.356 -5.275 -0.326 475 H ALA 58 H ALA 58 -5.250 -5.159 -0.002 476 HA ALA 58 HA ALA 58 -6.287 -3.079 1.571 477 HB1 ALA 58 3HB ALA 58 -8.124 -3.048 -0.054 478 HB2 ALA 58 1HB ALA 58 -7.621 -4.628 -0.675 479 HB3 ALA 58 2HB ALA 58 -6.568 -3.224 -0.864 480 H ASN 59 H ASN 59 -6.967 -6.508 1.490 481 HA ASN 59 HA ASN 59 -9.375 -6.634 2.950 482 HB2 ASN 59 2HB ASN 59 -8.384 -8.565 1.717 483 HB3 ASN 59 1HB ASN 59 -7.066 -8.638 2.885 484 HD21 ASN 59 1HD2 ASN 59 -7.559 -10.727 3.529 485 HD22 ASN 59 2HD2 ASN 59 -8.966 -11.138 4.440 486 H TYR 60 H TYR 60 -5.958 -6.773 4.023 487 HA TYR 60 HA TYR 60 -6.550 -6.866 6.827 488 HB2 TYR 60 2HB TYR 60 -3.996 -6.294 5.289 489 HB3 TYR 60 1HB TYR 60 -4.053 -6.217 7.046 490 HD1 TYR 60 HD1 TYR 60 -4.932 -8.319 8.285 491 HD2 TYR 60 HD2 TYR 60 -3.535 -8.379 4.246 492 HE1 TYR 60 HE1 TYR 60 -4.550 -10.730 8.462 493 HE2 TYR 60 HE2 TYR 60 -3.162 -10.807 4.411 494 HH TYR 60 HH TYR 60 -4.388 -12.698 6.943 495 H LEU 61 H LEU 61 -5.891 -4.245 4.552 496 HA LEU 61 HA LEU 61 -5.622 -2.125 6.407 497 HB2 LEU 61 2HB LEU 61 -6.708 -2.107 3.561 498 HB3 LEU 61 1HB LEU 61 -6.303 -0.663 4.476 499 HG LEU 61 HG LEU 61 -4.345 -2.816 3.597 500 HD11 LEU 61 1HD1 LEU 61 -4.654 0.033 2.624 501 HD12 LEU 61 2HD1 LEU 61 -5.085 -1.432 1.737 502 HD13 LEU 61 3HD1 LEU 61 -3.399 -1.108 2.130 503 HD21 LEU 61 3HD2 LEU 61 -2.575 -1.325 4.459 504 HD22 LEU 61 1HD2 LEU 61 -3.634 -1.920 5.737 505 HD23 LEU 61 2HD2 LEU 61 -3.809 -0.264 5.147 506 H HIS 62 H HIS 62 -8.432 -3.582 4.859 507 HA HIS 62 HA HIS 62 -10.457 -1.988 6.063 508 HB2 HIS 62 2HB HIS 62 -10.878 -3.321 4.039 509 HB3 HIS 62 1HB HIS 62 -10.537 -4.814 4.907 510 HD1 HIS 62 HD1 HIS 62 -12.488 -5.935 6.013 511 HD2 HIS 62 HD2 HIS 62 -13.344 -2.010 4.967 512 HE1 HIS 62 HE1 HIS 62 -14.928 -5.633 6.489 513 HE2 HIS 62 HE2 HIS 62 -15.404 -3.233 5.913 514 H ALA 63 H ALA 63 -8.791 -4.962 6.997 515 HA ALA 63 HA ALA 63 -10.592 -5.727 9.096 516 HB1 ALA 63 3HB ALA 63 -7.791 -6.720 8.465 517 HB2 ALA 63 1HB ALA 63 -9.289 -7.359 7.789 518 HB3 ALA 63 2HB ALA 63 -8.965 -7.521 9.516 519 H LEU 64 H LEU 64 -7.777 -3.669 8.983 520 HA LEU 64 HA LEU 64 -7.445 -3.748 11.935 521 HB2 LEU 64 2HB LEU 64 -5.490 -2.779 9.801 522 HB3 LEU 64 1HB LEU 64 -5.172 -2.839 11.528 523 HG LEU 64 HG LEU 64 -5.658 -5.276 9.764 524 HD11 LEU 64 1HD1 LEU 64 -3.037 -4.289 10.933 525 HD12 LEU 64 2HD1 LEU 64 -3.512 -4.217 9.234 526 HD13 LEU 64 3HD1 LEU 64 -3.287 -5.782 10.014 527 HD21 LEU 64 3HD2 LEU 64 -4.855 -5.124 12.682 528 HD22 LEU 64 1HD2 LEU 64 -4.946 -6.594 11.708 529 HD23 LEU 64 2HD2 LEU 64 -6.407 -5.671 12.043 530 H GLY 65 H GLY 65 -8.687 -1.799 9.439 531 HA2 GLY 65 2HA GLY 65 -9.593 0.341 9.522 532 HA3 GLY 65 1HA GLY 65 -8.875 0.589 11.106 533 H GLY 66 H GLY 66 -6.698 -0.640 8.813 534 HA2 GLY 66 2HA GLY 66 -5.124 1.788 8.788 535 HA3 GLY 66 1HA GLY 66 -4.669 0.226 8.126 536 H ALA 67 H ALA 67 -7.626 0.675 6.827 537 HA ALA 67 HA ALA 67 -6.708 1.310 4.232 538 HB1 ALA 67 3HB ALA 67 -9.071 1.358 3.594 539 HB2 ALA 67 1HB ALA 67 -9.549 1.410 5.296 540 HB3 ALA 67 2HB ALA 67 -8.735 -0.015 4.648 541 H VAL 68 H VAL 68 -8.482 3.221 6.644 542 HA VAL 68 HA VAL 68 -8.695 5.644 5.225 543 HB VAL 68 HB VAL 68 -8.464 5.324 8.262 544 HG11 VAL 68 1HG1 VAL 68 -9.774 7.524 6.617 545 HG12 VAL 68 2HG1 VAL 68 -8.261 7.668 7.514 546 HG13 VAL 68 3HG1 VAL 68 -9.778 7.413 8.381 547 HG21 VAL 68 3HG2 VAL 68 -10.920 5.171 8.321 548 HG22 VAL 68 1HG2 VAL 68 -10.230 3.845 7.380 549 HG23 VAL 68 2HG2 VAL 68 -10.976 5.215 6.556 550 H GLN 69 H GLN 69 -6.119 4.249 7.196 551 HA GLN 69 HA GLN 69 -4.482 6.535 7.506 552 HB2 GLN 69 2HB GLN 69 -3.685 3.590 7.505 553 HB3 GLN 69 1HB GLN 69 -2.675 4.913 8.083 554 HG2 GLN 69 2HG GLN 69 -5.334 4.050 9.255 555 HG3 GLN 69 1HG GLN 69 -3.740 3.758 9.956 556 HE21 GLN 69 1HE2 GLN 69 -6.057 5.222 11.036 557 HE22 GLN 69 2HE2 GLN 69 -5.488 6.803 11.417 558 H VAL 70 H VAL 70 -4.475 3.938 5.077 559 HA VAL 70 HA VAL 70 -2.191 4.827 3.622 560 HB VAL 70 HB VAL 70 -4.496 2.998 2.795 561 HG11 VAL 70 1HG1 VAL 70 -1.807 3.373 1.420 562 HG12 VAL 70 2HG1 VAL 70 -3.373 3.866 0.776 563 HG13 VAL 70 3HG1 VAL 70 -3.015 2.153 1.003 564 HG21 VAL 70 3HG2 VAL 70 -2.925 1.172 3.314 565 HG22 VAL 70 1HG2 VAL 70 -3.206 2.187 4.729 566 HG23 VAL 70 2HG2 VAL 70 -1.708 2.350 3.810 567 H LYS 71 H LYS 71 -5.685 5.291 3.211 568 HA LYS 71 HA LYS 71 -5.719 6.708 0.787 569 HB2 LYS 71 2HB LYS 71 -7.588 6.810 3.183 570 HB3 LYS 71 1HB LYS 71 -7.929 7.637 1.670 571 HG2 LYS 71 2HG LYS 71 -8.016 5.511 0.480 572 HG3 LYS 71 1HG LYS 71 -7.544 4.649 1.946 573 HD2 LYS 71 2HD LYS 71 -9.897 4.358 1.741 574 HD3 LYS 71 1HD LYS 71 -9.666 5.530 3.035 575 HE2 LYS 71 2HE LYS 71 -10.343 6.299 0.175 576 HE3 LYS 71 1HE LYS 71 -11.550 6.029 1.425 577 HZ1 LYS 71 3HZ LYS 71 -11.115 8.356 1.217 578 HZ2 LYS 71 1HZ LYS 71 -9.454 8.133 1.439 579 HZ3 LYS 71 2HZ LYS 71 -10.523 7.835 2.713 580 H THR 72 H THR 72 -5.869 7.977 4.124 581 HA THR 72 HA THR 72 -5.875 10.712 3.507 582 HB THR 72 HB THR 72 -4.966 9.359 6.095 583 HG1 THR 72 HG1 THR 72 -7.001 8.909 6.339 584 HG21 THR 72 3HG2 THR 72 -4.363 11.764 6.050 585 HG22 THR 72 1HG2 THR 72 -5.665 11.449 7.210 586 HG23 THR 72 2HG2 THR 72 -6.029 12.171 5.642 587 H PHE 73 H PHE 73 -3.219 8.480 4.259 588 HA PHE 73 HA PHE 73 -1.128 10.358 4.504 589 HB2 PHE 73 2HB PHE 73 -1.007 7.981 5.300 590 HB3 PHE 73 1HB PHE 73 -0.929 7.438 3.632 591 HD1 PHE 73 HD2 PHE 73 0.909 9.098 6.363 592 HD2 PHE 73 HD1 PHE 73 1.155 7.678 2.337 593 HE1 PHE 73 HE2 PHE 73 3.358 9.291 6.436 594 HE2 PHE 73 HE1 PHE 73 3.597 7.876 2.428 595 HZ PHE 73 HZ PHE 73 4.703 8.682 4.465 596 H ILE 74 H ILE 74 -1.955 8.207 1.737 597 HA ILE 74 HA ILE 74 -0.038 9.219 -0.063 598 HB ILE 74 HB ILE 74 -2.595 7.622 -0.523 599 HG12 ILE 74 2HG1 ILE 74 0.359 6.846 -0.554 600 HG13 ILE 74 1HG1 ILE 74 -0.820 6.411 0.677 601 HG21 ILE 74 1HG2 ILE 74 -2.171 8.880 -2.598 602 HG22 ILE 74 2HG2 ILE 74 -1.874 7.158 -2.832 603 HG23 ILE 74 3HG2 ILE 74 -0.517 8.269 -2.639 604 HD11 ILE 74 3HD1 ILE 74 -0.354 4.524 -0.730 605 HD12 ILE 74 1HD1 ILE 74 -0.768 5.439 -2.181 606 HD13 ILE 74 2HD1 ILE 74 -2.015 5.049 -0.993 607 H THR 75 H THR 75 -3.352 10.232 0.599 608 HA THR 75 HA THR 75 -3.688 11.849 -1.753 609 HB THR 75 HB THR 75 -5.325 11.774 0.821 610 HG1 THR 75 HG1 THR 75 -5.085 9.841 -0.656 611 HG21 THR 75 3HG2 THR 75 -7.161 12.768 -0.518 612 HG22 THR 75 1HG2 THR 75 -6.082 12.916 -1.906 613 HG23 THR 75 2HG2 THR 75 -5.784 13.870 -0.450 614 H GLN 76 H GLN 76 -2.358 12.457 1.449 615 HA GLN 76 HA GLN 76 -2.351 15.377 1.017 616 HB2 GLN 76 2HB GLN 76 -1.559 13.739 3.459 617 HB3 GLN 76 1HB GLN 76 -1.450 15.496 3.365 618 HG2 GLN 76 2HG GLN 76 -3.949 15.522 2.893 619 HG3 GLN 76 1HG GLN 76 -3.954 13.799 3.273 620 HE21 GLN 76 1HE2 GLN 76 -5.361 14.128 5.028 621 HE22 GLN 76 2HE2 GLN 76 -4.825 14.852 6.505 622 H THR 77 H THR 77 -0.033 12.693 1.468 623 HA THR 77 HA THR 77 2.298 14.310 1.541 624 HB THR 77 HB THR 77 2.184 11.929 2.438 625 HG1 THR 77 HG1 THR 77 4.314 11.812 2.225 626 HG21 THR 77 3HG2 THR 77 2.667 10.049 0.929 627 HG22 THR 77 1HG2 THR 77 2.604 11.124 -0.473 628 HG23 THR 77 2HG2 THR 77 1.144 10.805 0.463 629 H LYS 78 H LYS 78 4.068 14.155 -0.035 630 HA LYS 78 HA LYS 78 3.182 14.061 -2.873 631 HB2 LYS 78 2HB LYS 78 4.659 16.045 -3.259 632 HB3 LYS 78 1HB LYS 78 3.289 16.388 -2.210 633 HG2 LYS 78 2HG LYS 78 4.883 16.059 -0.236 634 HG3 LYS 78 1HG LYS 78 6.196 16.071 -1.420 635 HD2 LYS 78 2HD LYS 78 5.510 18.341 -2.150 636 HD3 LYS 78 1HD LYS 78 4.191 18.321 -0.973 637 HE2 LYS 78 2HE LYS 78 6.084 19.601 -0.102 638 HE3 LYS 78 1HE LYS 78 5.848 18.141 0.861 639 HZ1 LYS 78 3HZ LYS 78 7.866 18.452 -1.301 640 HZ2 LYS 78 1HZ LYS 78 7.664 17.093 -0.318 641 HZ3 LYS 78 2HZ LYS 78 8.181 18.550 0.353 642 H GLU 79 H GLU 79 4.719 12.283 -0.875 643 HA GLU 79 HA GLU 79 7.396 12.044 -1.924 644 HB2 GLU 79 2HB GLU 79 5.737 10.250 -0.092 645 HB3 GLU 79 1HB GLU 79 7.432 9.963 -0.478 646 HG2 GLU 79 2HG GLU 79 6.391 12.470 0.865 647 HG3 GLU 79 1HG GLU 79 7.044 11.080 1.725 648 H ARG 80 H ARG 80 8.130 10.662 -3.406 649 HA ARG 80 HA ARG 80 6.257 8.871 -4.843 650 HB2 ARG 80 2HB ARG 80 8.718 10.375 -5.852 651 HB3 ARG 80 1HB ARG 80 7.918 9.102 -6.770 652 HG2 ARG 80 2HG ARG 80 5.825 10.444 -6.743 653 HG3 ARG 80 1HG ARG 80 6.700 11.747 -5.938 654 HD2 ARG 80 2HD ARG 80 8.229 11.901 -7.882 655 HD3 ARG 80 1HD ARG 80 7.345 10.594 -8.679 656 HE ARG 80 HE ARG 80 5.679 12.820 -7.947 657 HH11 ARG 80 1HH1 ARG 80 7.820 11.563 -10.465 658 HH12 ARG 80 2HH1 ARG 80 7.114 12.545 -11.711 659 HH21 ARG 80 1HH2 ARG 80 4.817 14.138 -9.591 660 HH22 ARG 80 2HH2 ARG 80 5.416 14.000 -11.217 661 HA PRO 81 HA PRO 81 9.087 5.588 -3.405 662 HB2 PRO 81 2HB PRO 81 8.106 3.555 -5.016 663 HB3 PRO 81 1HB PRO 81 7.316 4.079 -3.515 664 HG2 PRO 81 2HG PRO 81 6.630 4.768 -6.342 665 HG3 PRO 81 1HG PRO 81 5.548 4.409 -4.980 666 HD2 PRO 81 2HD PRO 81 6.049 6.957 -5.845 667 HD3 PRO 81 1HD PRO 81 5.660 6.572 -4.154 668 H ARG 82 H ARG 82 11.111 5.562 -4.078 669 HA ARG 82 HA ARG 82 11.814 5.707 -6.957 670 HB2 ARG 82 2HB ARG 82 12.357 7.632 -4.894 671 HB3 ARG 82 1HB ARG 82 13.890 6.833 -5.195 672 HG2 ARG 82 2HG ARG 82 13.661 8.868 -6.529 673 HG3 ARG 82 1HG ARG 82 13.767 7.449 -7.572 674 HD2 ARG 82 2HD ARG 82 11.368 7.509 -7.982 675 HD3 ARG 82 1HD ARG 82 11.154 8.804 -6.797 676 HE ARG 82 HE ARG 82 12.761 10.057 -8.431 677 HH11 ARG 82 1HH1 ARG 82 10.141 7.893 -9.415 678 HH12 ARG 82 2HH1 ARG 82 9.880 8.714 -10.922 679 HH21 ARG 82 1HH2 ARG 82 12.374 11.131 -10.384 680 HH22 ARG 82 2HH2 ARG 82 11.147 10.554 -11.474 681 H LEU 83 H LEU 83 14.233 4.992 -7.245 682 HA LEU 83 HA LEU 83 14.298 2.238 -6.601 683 HB2 LEU 83 2HB LEU 83 15.260 3.253 -8.662 684 HB3 LEU 83 1HB LEU 83 16.511 4.012 -7.693 685 HG LEU 83 HG LEU 83 17.367 1.724 -7.074 686 HD11 LEU 83 1HD1 LEU 83 16.610 -0.239 -8.350 687 HD12 LEU 83 2HD1 LEU 83 15.329 0.733 -9.081 688 HD13 LEU 83 3HD1 LEU 83 15.326 0.431 -7.342 689 HD21 LEU 83 3HD2 LEU 83 17.254 2.265 -10.057 690 HD22 LEU 83 1HD2 LEU 83 18.441 1.256 -9.224 691 HD23 LEU 83 2HD2 LEU 83 18.391 2.990 -8.917 692 H GLY 84 H GLY 84 14.391 1.809 -4.423 693 HA2 GLY 84 2HA GLY 84 15.914 1.173 -2.618 694 HA3 GLY 84 1HA GLY 84 16.771 2.695 -2.852 695 H LYS 85 H LYS 85 14.219 4.143 -3.227 696 HA LYS 85 HA LYS 85 13.541 4.664 -0.429 697 HB2 LYS 85 2HB LYS 85 14.146 6.603 -1.758 698 HB3 LYS 85 1HB LYS 85 13.033 6.145 -3.041 699 HG2 LYS 85 2HG LYS 85 11.117 6.588 -1.490 700 HG3 LYS 85 1HG LYS 85 12.272 7.148 -0.274 701 HD2 LYS 85 2HD LYS 85 13.001 8.964 -1.751 702 HD3 LYS 85 1HD LYS 85 11.957 8.372 -3.049 703 HE2 LYS 85 2HE LYS 85 10.945 10.302 -1.927 704 HE3 LYS 85 1HE LYS 85 9.971 8.854 -1.659 705 HZ1 LYS 85 3HZ LYS 85 11.112 8.625 0.510 706 HZ2 LYS 85 1HZ LYS 85 10.171 10.014 0.381 707 HZ3 LYS 85 2HZ LYS 85 11.850 10.125 0.251 708 H ALA 86 H ALA 86 11.907 3.376 0.321 709 HA ALA 86 HA ALA 86 9.500 2.878 -1.336 710 HB1 ALA 86 3HB ALA 86 10.534 0.890 -0.303 711 HB2 ALA 86 1HB ALA 86 8.915 1.177 0.340 712 HB3 ALA 86 2HB ALA 86 10.339 1.607 1.297 713 H VAL 87 H VAL 87 7.573 3.831 -0.821 714 HA VAL 87 HA VAL 87 7.468 5.861 1.242 715 HB VAL 87 HB VAL 87 5.255 4.856 -0.617 716 HG11 VAL 87 1HG1 VAL 87 5.294 7.362 1.108 717 HG12 VAL 87 2HG1 VAL 87 4.307 5.928 1.395 718 HG13 VAL 87 3HG1 VAL 87 4.027 6.915 -0.041 719 HG21 VAL 87 3HG2 VAL 87 5.687 6.897 -1.940 720 HG22 VAL 87 1HG2 VAL 87 7.122 5.873 -1.859 721 HG23 VAL 87 2HG2 VAL 87 7.016 7.325 -0.859 722 H SER 88 H SER 88 7.751 4.747 3.147 723 HA SER 88 HA SER 88 6.152 2.474 3.930 724 HB2 SER 88 2HB SER 88 8.500 2.693 4.686 725 HB3 SER 88 1HB SER 88 8.108 4.185 5.540 726 HG SER 88 HG SER 88 6.780 3.003 6.909 727 H ILE 89 H ILE 89 4.065 2.988 4.085 728 HA ILE 89 HA ILE 89 3.032 5.395 5.313 729 HB ILE 89 HB ILE 89 1.561 2.877 4.390 730 HG12 ILE 89 2HG1 ILE 89 1.983 5.479 2.844 731 HG13 ILE 89 1HG1 ILE 89 2.868 3.987 2.552 732 HG21 ILE 89 1HG2 ILE 89 -0.464 4.298 4.330 733 HG22 ILE 89 2HG2 ILE 89 0.461 5.656 4.968 734 HG23 ILE 89 3HG2 ILE 89 0.213 4.216 5.959 735 HD11 ILE 89 3HD1 ILE 89 1.127 4.276 0.928 736 HD12 ILE 89 1HD1 ILE 89 -0.096 4.387 2.195 737 HD13 ILE 89 2HD1 ILE 89 0.781 2.874 1.939 738 HA PRO 90 HA PRO 90 3.144 3.164 9.363 739 HB2 PRO 90 2HB PRO 90 2.524 5.834 10.526 740 HB3 PRO 90 1HB PRO 90 3.940 4.799 10.803 741 HG2 PRO 90 2HG PRO 90 4.141 7.107 9.429 742 HG3 PRO 90 1HG PRO 90 5.129 5.686 9.016 743 HD2 PRO 90 2HD PRO 90 2.597 6.665 7.685 744 HD3 PRO 90 1HD PRO 90 4.119 6.115 6.946 745 H LEU 91 H LEU 91 1.304 1.989 9.644 746 HA LEU 91 HA LEU 91 -1.328 3.141 9.299 747 HB2 LEU 91 2HB LEU 91 -0.536 0.396 10.343 748 HB3 LEU 91 1HB LEU 91 -2.166 0.897 9.911 749 HG LEU 91 HG LEU 91 0.187 0.484 8.022 750 HD11 LEU 91 1HD1 LEU 91 -1.237 -1.257 7.039 751 HD12 LEU 91 2HD1 LEU 91 -2.471 -0.946 8.264 752 HD13 LEU 91 3HD1 LEU 91 -0.889 -1.572 8.738 753 HD21 LEU 91 3HD2 LEU 91 -1.039 2.437 7.243 754 HD22 LEU 91 1HD2 LEU 91 -2.570 1.563 7.349 755 HD23 LEU 91 2HD2 LEU 91 -1.346 1.069 6.176 756 H ASP 92 H ASP 92 -1.482 4.732 10.809 757 HA ASP 92 HA ASP 92 -0.928 4.491 13.580 758 HB2 ASP 92 2HB ASP 92 -1.022 6.697 12.624 759 HB3 ASP 92 1HB ASP 92 -2.633 6.427 11.975 760 H LEU 93 H LEU 93 -1.832 2.797 14.576 761 HA LEU 93 HA LEU 93 -4.775 2.467 14.525 762 HB2 LEU 93 2HB LEU 93 -2.692 0.342 15.176 763 HB3 LEU 93 1HB LEU 93 -4.428 0.103 15.067 764 HG LEU 93 HG LEU 93 -2.566 0.757 12.742 765 HD11 LEU 93 1HD1 LEU 93 -4.028 -1.819 13.405 766 HD12 LEU 93 2HD1 LEU 93 -2.289 -1.537 13.529 767 HD13 LEU 93 3HD1 LEU 93 -3.070 -1.512 11.950 768 HD21 LEU 93 3HD2 LEU 93 -4.746 1.781 12.355 769 HD22 LEU 93 1HD2 LEU 93 -5.556 0.251 12.691 770 HD23 LEU 93 2HD2 LEU 93 -4.515 0.409 11.273 771 H GLY 94 H GLY 94 -4.382 4.365 16.093 772 HA2 GLY 94 2HA GLY 94 -4.252 3.287 18.869 773 HA3 GLY 94 1HA GLY 94 -4.224 4.993 18.410 774 H GLU 95 H GLU 95 -6.139 5.740 17.154 775 HA GLU 95 HA GLU 95 -8.652 5.208 18.377 776 HB2 GLU 95 2HB GLU 95 -8.088 6.581 15.700 777 HB3 GLU 95 1HB GLU 95 -9.560 6.733 16.657 778 HG2 GLU 95 2HG GLU 95 -8.363 7.926 18.410 779 HG3 GLU 95 1HG GLU 95 -6.825 7.660 17.587 780 H ARG 96 H ARG 96 -7.065 4.165 15.392 781 HA ARG 96 HA ARG 96 -9.361 2.774 14.333 782 HB2 ARG 96 2HB ARG 96 -6.462 2.823 13.416 783 HB3 ARG 96 1HB ARG 96 -7.777 2.051 12.532 784 HG2 ARG 96 2HG ARG 96 -7.591 5.010 13.173 785 HG3 ARG 96 1HG ARG 96 -7.223 4.270 11.614 786 HD2 ARG 96 2HD ARG 96 -9.564 3.552 11.381 787 HD3 ARG 96 1HD ARG 96 -9.943 4.215 12.976 788 HE ARG 96 HE ARG 96 -8.851 6.265 11.419 789 HH11 ARG 96 1HH1 ARG 96 -11.801 4.319 11.490 790 HH12 ARG 96 2HH1 ARG 96 -12.766 5.562 10.752 791 HH21 ARG 96 1HH2 ARG 96 -10.123 7.855 10.448 792 HH22 ARG 96 2HH2 ARG 96 -11.813 7.564 10.161 793 H ALA 97 H ALA 97 -6.928 1.939 16.587 794 HA ALA 97 HA ALA 97 -7.048 -0.917 16.261 795 HB1 ALA 97 3HB ALA 97 -6.229 0.747 18.669 796 HB2 ALA 97 1HB ALA 97 -5.158 0.140 17.406 797 HB3 ALA 97 2HB ALA 97 -5.975 -0.994 18.483 798 H SER 98 H SER 98 -9.064 1.496 17.745 799 HA SER 98 HA SER 98 -10.485 -0.340 19.510 800 HB2 SER 98 2HB SER 98 -9.977 1.962 20.271 801 HB3 SER 98 1HB SER 98 -10.923 2.629 18.943 802 HG SER 98 HG SER 98 -12.773 1.604 19.861 803 H GLU 99 H GLU 99 -10.707 0.464 16.226 804 HA GLU 99 HA GLU 99 -13.433 0.785 15.685 805 HB2 GLU 99 2HB GLU 99 -11.348 -0.664 14.001 806 HB3 GLU 99 1HB GLU 99 -12.923 -0.151 13.404 807 HG2 GLU 99 2HG GLU 99 -10.779 1.712 14.444 808 HG3 GLU 99 1HG GLU 99 -11.027 1.330 12.748 809 H TRP 100 H TRP 100 -11.544 -2.199 16.047 810 HA TRP 100 HA TRP 100 -13.846 -3.876 15.470 811 HB2 TRP 100 2HB TRP 100 -12.244 -5.763 15.557 812 HB3 TRP 100 1HB TRP 100 -11.747 -4.506 14.436 813 HD1 TRP 100 HD1 TRP 100 -9.555 -2.993 15.192 814 HE1 TRP 100 HE1 TRP 100 -7.561 -3.615 16.681 815 HE3 TRP 100 HE3 TRP 100 -11.536 -7.071 17.580 816 HZ2 TRP 100 HZ2 TRP 100 -6.897 -5.552 18.601 817 HZ3 TRP 100 HZ3 TRP 100 -10.146 -8.256 19.230 818 HH2 TRP 100 HH2 TRP 100 -7.869 -7.511 19.730 819 H ILE 101 H ILE 101 -12.726 -2.400 18.252 820 HA ILE 101 HA ILE 101 -13.635 -4.478 20.098 821 HB ILE 101 HB ILE 101 -12.587 -1.644 20.545 822 HG12 ILE 101 2HG1 ILE 101 -10.928 -2.872 22.032 823 HG13 ILE 101 1HG1 ILE 101 -11.638 -4.385 21.486 824 HG21 ILE 101 1HG2 ILE 101 -14.457 -1.865 22.127 825 HG22 ILE 101 2HG2 ILE 101 -12.919 -1.910 22.990 826 HG23 ILE 101 3HG2 ILE 101 -13.812 -3.404 22.700 827 HD11 ILE 101 3HD1 ILE 101 -10.921 -3.879 19.203 828 HD12 ILE 101 1HD1 ILE 101 -9.568 -3.895 20.335 829 HD13 ILE 101 2HD1 ILE 101 -10.225 -2.360 19.768 830 H ILE 102 H ILE 102 -15.769 -4.846 19.755 831 HA ILE 102 HA ILE 102 -17.613 -2.639 20.495 832 HB ILE 102 HB ILE 102 -18.374 -5.150 18.917 833 HG12 ILE 102 2HG1 ILE 102 -19.047 -3.345 17.115 834 HG13 ILE 102 1HG1 ILE 102 -17.940 -2.288 17.977 835 HG21 ILE 102 1HG2 ILE 102 -20.184 -4.440 20.404 836 HG22 ILE 102 2HG2 ILE 102 -20.621 -4.099 18.729 837 HG23 ILE 102 3HG2 ILE 102 -20.083 -2.790 19.781 838 HD11 ILE 102 3HD1 ILE 102 -17.221 -4.911 16.664 839 HD12 ILE 102 1HD1 ILE 102 -16.101 -3.834 17.500 840 HD13 ILE 102 2HD1 ILE 102 -16.901 -3.300 16.023 841 H LEU 103 H LEU 103 -16.940 -3.066 22.642 842 HA LEU 103 HA LEU 103 -17.970 -5.560 23.879 843 HB2 LEU 103 2HB LEU 103 -15.913 -3.554 24.912 844 HB3 LEU 103 1HB LEU 103 -16.482 -4.950 25.812 845 HG LEU 103 HG LEU 103 -14.937 -5.092 23.191 846 HD11 LEU 103 1HD1 LEU 103 -13.038 -5.876 24.521 847 HD12 LEU 103 2HD1 LEU 103 -13.952 -5.623 26.012 848 HD13 LEU 103 3HD1 LEU 103 -13.518 -4.247 24.994 849 HD21 LEU 103 3HD2 LEU 103 -16.407 -7.012 23.445 850 HD22 LEU 103 1HD2 LEU 103 -15.791 -7.314 25.074 851 HD23 LEU 103 2HD2 LEU 103 -14.730 -7.501 23.674 852 H GLU 104 H GLU 104 -19.347 -5.411 25.658 853 HA GLU 104 HA GLU 104 -20.537 -2.761 26.288 854 HB2 GLU 104 2HB GLU 104 -21.966 -5.410 25.773 855 HB3 GLU 104 1HB GLU 104 -22.752 -3.981 26.430 856 HG2 GLU 104 2HG GLU 104 -22.421 -2.755 24.374 857 HG3 GLU 104 1HG GLU 104 -21.377 -4.020 23.731 Start of MODEL 13 1 H1 MET 1 1H MET 1 -11.388 1.516 1.920 2 H2 MET 1 2H MET 1 -10.948 -0.049 2.376 3 H3 MET 1 3H MET 1 -12.302 0.190 1.397 4 HA MET 1 HA MET 1 -10.994 0.962 -0.392 5 HB2 MET 1 2HB MET 1 -9.238 2.081 0.943 6 HB3 MET 1 1HB MET 1 -8.610 0.526 1.456 7 HG2 MET 1 2HG MET 1 -7.946 0.009 -0.840 8 HG3 MET 1 1HG MET 1 -8.661 1.516 -1.404 9 HE1 MET 1 3HE MET 1 -6.584 1.066 1.948 10 HE2 MET 1 1HE MET 1 -4.956 1.342 1.337 11 HE3 MET 1 2HE MET 1 -5.856 -0.083 0.822 12 H THR 2 H THR 2 -11.440 -0.693 -1.663 13 HA THR 2 HA THR 2 -10.832 -3.463 -1.127 14 HB THR 2 HB THR 2 -11.719 -3.809 -3.460 15 HG1 THR 2 HG1 THR 2 -12.549 -1.170 -3.717 16 HG21 THR 2 3HG2 THR 2 -14.026 -3.027 -3.079 17 HG22 THR 2 1HG2 THR 2 -13.464 -1.960 -1.790 18 HG23 THR 2 2HG2 THR 2 -13.349 -3.714 -1.601 19 H GLY 3 H GLY 3 -9.537 -4.750 -2.848 20 HA2 GLY 3 2HA GLY 3 -6.903 -3.787 -3.305 21 HA3 GLY 3 1HA GLY 3 -7.636 -5.175 -4.102 22 H GLN 4 H GLN 4 -9.835 -3.630 -5.226 23 HA GLN 4 HA GLN 4 -8.852 -2.602 -7.646 24 HB2 GLN 4 2HB GLN 4 -11.163 -3.329 -7.479 25 HB3 GLN 4 1HB GLN 4 -11.496 -2.181 -6.188 26 HG2 GLN 4 2HG GLN 4 -11.277 -0.315 -7.752 27 HG3 GLN 4 1HG GLN 4 -10.858 -1.430 -9.056 28 HE21 GLN 4 1HE2 GLN 4 -12.645 -0.657 -10.271 29 HE22 GLN 4 2HE2 GLN 4 -14.265 -1.123 -9.902 30 H GLU 5 H GLU 5 -10.155 -0.845 -4.804 31 HA GLU 5 HA GLU 5 -9.609 1.776 -5.664 32 HB2 GLU 5 2HB GLU 5 -9.988 0.593 -2.893 33 HB3 GLU 5 1HB GLU 5 -9.800 2.325 -3.155 34 HG2 GLU 5 2HG GLU 5 -11.860 2.405 -4.451 35 HG3 GLU 5 1HG GLU 5 -12.030 0.650 -4.363 36 H LEU 6 H LEU 6 -7.660 -0.530 -3.875 37 HA LEU 6 HA LEU 6 -5.607 1.140 -2.943 38 HB2 LEU 6 2HB LEU 6 -5.995 -1.126 -2.093 39 HB3 LEU 6 1HB LEU 6 -5.594 -1.817 -3.657 40 HG LEU 6 HG LEU 6 -3.232 -1.102 -3.382 41 HD11 LEU 6 1HD1 LEU 6 -4.023 -0.095 -0.631 42 HD12 LEU 6 2HD1 LEU 6 -3.529 0.905 -2.000 43 HD13 LEU 6 3HD1 LEU 6 -2.381 -0.213 -1.272 44 HD21 LEU 6 3HD2 LEU 6 -3.894 -3.324 -2.630 45 HD22 LEU 6 1HD2 LEU 6 -4.302 -2.692 -1.034 46 HD23 LEU 6 2HD2 LEU 6 -2.632 -2.678 -1.591 47 H ARG 7 H ARG 7 -5.885 -0.787 -5.948 48 HA ARG 7 HA ARG 7 -3.429 0.049 -7.122 49 HB2 ARG 7 2HB ARG 7 -4.824 -1.945 -7.845 50 HB3 ARG 7 1HB ARG 7 -5.944 -0.827 -8.609 51 HG2 ARG 7 2HG ARG 7 -4.170 -0.043 -10.115 52 HG3 ARG 7 1HG ARG 7 -2.998 -1.090 -9.313 53 HD2 ARG 7 2HD ARG 7 -4.341 -3.073 -10.038 54 HD3 ARG 7 1HD ARG 7 -5.415 -1.979 -10.923 55 HE ARG 7 HE ARG 7 -3.005 -1.333 -11.927 56 HH11 ARG 7 1HH1 ARG 7 -4.553 -4.477 -11.530 57 HH12 ARG 7 2HH1 ARG 7 -3.734 -5.186 -12.890 58 HH21 ARG 7 1HH2 ARG 7 -1.932 -2.256 -13.674 59 HH22 ARG 7 2HH2 ARG 7 -2.232 -3.912 -14.114 60 H GLN 8 H GLN 8 -6.760 1.240 -7.361 61 HA GLN 8 HA GLN 8 -6.333 3.228 -9.339 62 HB2 GLN 8 2HB GLN 8 -8.508 2.863 -7.246 63 HB3 GLN 8 1HB GLN 8 -8.554 4.154 -8.443 64 HG2 GLN 8 2HG GLN 8 -8.434 1.206 -9.154 65 HG3 GLN 8 1HG GLN 8 -9.927 2.132 -9.016 66 HE21 GLN 8 1HE2 GLN 8 -6.971 1.758 -10.851 67 HE22 GLN 8 2HE2 GLN 8 -7.523 2.573 -12.271 68 H LEU 9 H LEU 9 -5.703 3.193 -5.933 69 HA LEU 9 HA LEU 9 -5.544 6.038 -5.530 70 HB2 LEU 9 2HB LEU 9 -5.974 4.435 -3.695 71 HB3 LEU 9 1HB LEU 9 -4.408 3.688 -3.953 72 HG LEU 9 HG LEU 9 -3.271 5.732 -3.160 73 HD11 LEU 9 1HD1 LEU 9 -4.866 7.442 -3.889 74 HD12 LEU 9 2HD1 LEU 9 -4.488 7.611 -2.178 75 HD13 LEU 9 3HD1 LEU 9 -6.027 6.901 -2.673 76 HD21 LEU 9 3HD2 LEU 9 -5.415 4.758 -1.236 77 HD22 LEU 9 1HD2 LEU 9 -3.928 5.600 -0.788 78 HD23 LEU 9 2HD2 LEU 9 -3.844 4.002 -1.520 79 H LEU 10 H LEU 10 -3.288 3.428 -6.283 80 HA LEU 10 HA LEU 10 -0.875 4.975 -6.280 81 HB2 LEU 10 2HB LEU 10 -1.400 2.359 -7.746 82 HB3 LEU 10 1HB LEU 10 0.156 2.981 -7.222 83 HG LEU 10 HG LEU 10 -2.059 2.065 -5.347 84 HD11 LEU 10 1HD1 LEU 10 -0.696 0.076 -4.922 85 HD12 LEU 10 2HD1 LEU 10 0.464 0.598 -6.144 86 HD13 LEU 10 3HD1 LEU 10 -1.184 0.177 -6.615 87 HD21 LEU 10 3HD2 LEU 10 0.806 2.822 -4.720 88 HD22 LEU 10 1HD2 LEU 10 -0.360 2.152 -3.576 89 HD23 LEU 10 2HD2 LEU 10 -0.640 3.739 -4.286 90 H LEU 11 H LEU 11 -3.317 4.178 -8.664 91 HA LEU 11 HA LEU 11 -1.864 5.136 -10.979 92 HB2 LEU 11 2HB LEU 11 -4.741 4.201 -10.617 93 HB3 LEU 11 1HB LEU 11 -4.067 4.693 -12.166 94 HG LEU 11 HG LEU 11 -3.103 2.332 -10.497 95 HD11 LEU 11 1HD1 LEU 11 -5.296 1.914 -11.524 96 HD12 LEU 11 2HD1 LEU 11 -4.044 0.914 -12.255 97 HD13 LEU 11 3HD1 LEU 11 -4.648 2.337 -13.111 98 HD21 LEU 11 3HD2 LEU 11 -1.236 3.302 -11.713 99 HD22 LEU 11 1HD2 LEU 11 -2.162 3.289 -13.220 100 HD23 LEU 11 2HD2 LEU 11 -1.697 1.771 -12.448 101 H ASP 12 H ASP 12 -4.411 6.351 -8.850 102 HA ASP 12 HA ASP 12 -5.020 8.731 -10.319 103 HB2 ASP 12 2HB ASP 12 -6.497 7.708 -8.538 104 HB3 ASP 12 1HB ASP 12 -5.352 8.237 -7.316 105 H LYS 13 H LYS 13 -2.735 7.916 -7.772 106 HA LYS 13 HA LYS 13 -1.904 10.628 -7.237 107 HB2 LYS 13 2HB LYS 13 -2.017 8.869 -5.470 108 HB3 LYS 13 1HB LYS 13 -0.740 7.970 -6.284 109 HG2 LYS 13 2HG LYS 13 0.176 9.174 -4.390 110 HG3 LYS 13 1HG LYS 13 0.824 9.848 -5.888 111 HD2 LYS 13 2HD LYS 13 -0.835 11.703 -5.731 112 HD3 LYS 13 1HD LYS 13 -1.411 11.029 -4.201 113 HE2 LYS 13 2HE LYS 13 0.863 11.348 -3.240 114 HE3 LYS 13 1HE LYS 13 1.377 12.094 -4.759 115 HZ1 LYS 13 3HZ LYS 13 -0.742 13.082 -2.932 116 HZ2 LYS 13 1HZ LYS 13 -0.385 13.757 -4.438 117 HZ3 LYS 13 2HZ LYS 13 0.768 13.784 -3.207 118 H TRP 14 H TRP 14 -0.125 7.727 -8.388 119 HA TRP 14 HA TRP 14 2.024 9.504 -9.389 120 HB2 TRP 14 2HB TRP 14 2.106 6.549 -8.608 121 HB3 TRP 14 1HB TRP 14 3.482 7.488 -9.184 122 HD1 TRP 14 HD1 TRP 14 3.830 9.880 -7.537 123 HE1 TRP 14 HE1 TRP 14 4.000 9.928 -4.977 124 HE3 TRP 14 HE3 TRP 14 1.555 5.412 -6.451 125 HZ2 TRP 14 HZ2 TRP 14 3.289 8.332 -2.789 126 HZ3 TRP 14 HZ3 TRP 14 1.353 4.757 -4.088 127 HH2 TRP 14 HH2 TRP 14 2.200 6.182 -2.295 128 H GLY 15 H GLY 15 -0.239 6.998 -10.352 129 HA2 GLY 15 2HA GLY 15 -1.002 6.524 -12.512 130 HA3 GLY 15 1HA GLY 15 0.336 7.438 -13.185 131 H TYR 16 H TYR 16 1.014 5.056 -10.766 132 HA TYR 16 HA TYR 16 1.835 3.038 -12.768 133 HB2 TYR 16 2HB TYR 16 3.526 3.948 -10.397 134 HB3 TYR 16 1HB TYR 16 3.920 2.605 -11.462 135 HD1 TYR 16 HD2 TYR 16 3.756 6.298 -11.179 136 HD2 TYR 16 HD1 TYR 16 4.857 3.019 -13.686 137 HE1 TYR 16 HE2 TYR 16 4.984 7.830 -12.654 138 HE2 TYR 16 HE1 TYR 16 6.083 4.556 -15.161 139 HH TYR 16 HH TYR 16 6.078 6.931 -15.750 140 H SER 17 H SER 17 1.438 0.964 -12.155 141 HA SER 17 HA SER 17 -0.127 0.504 -9.741 142 HB2 SER 17 2HB SER 17 0.640 -1.377 -12.020 143 HB3 SER 17 1HB SER 17 -0.489 -1.754 -10.720 144 HG SER 17 HG SER 17 -0.810 0.387 -12.550 145 H TYR 18 H TYR 18 1.692 0.957 -8.260 146 HA TYR 18 HA TYR 18 4.030 -0.736 -8.153 147 HB2 TYR 18 2HB TYR 18 2.847 1.065 -5.991 148 HB3 TYR 18 1HB TYR 18 4.456 0.351 -5.963 149 HD1 TYR 18 HD1 TYR 18 6.098 1.051 -7.877 150 HD2 TYR 18 HD2 TYR 18 2.543 3.221 -6.918 151 HE1 TYR 18 HE1 TYR 18 7.048 3.063 -8.917 152 HE2 TYR 18 HE2 TYR 18 3.498 5.224 -7.961 153 HH TYR 18 HH TYR 18 6.259 5.161 -9.922 154 H ASP 19 H ASP 19 4.470 -2.477 -6.675 155 HA ASP 19 HA ASP 19 2.144 -3.705 -5.389 156 HB2 ASP 19 2HB ASP 19 3.572 -5.546 -4.763 157 HB3 ASP 19 1HB ASP 19 3.834 -5.171 -6.450 158 H VAL 20 H VAL 20 1.615 -3.506 -3.325 159 HA VAL 20 HA VAL 20 3.321 -1.872 -1.531 160 HB VAL 20 HB VAL 20 1.183 -1.480 -0.241 161 HG11 VAL 20 1HG1 VAL 20 1.071 -0.630 -3.170 162 HG12 VAL 20 2HG1 VAL 20 1.942 0.199 -1.879 163 HG13 VAL 20 3HG1 VAL 20 0.182 0.122 -1.840 164 HG21 VAL 20 3HG2 VAL 20 -0.146 -2.864 -2.605 165 HG22 VAL 20 1HG2 VAL 20 -0.983 -2.015 -1.300 166 HG23 VAL 20 2HG2 VAL 20 -0.066 -3.479 -0.953 167 H GLN 21 H GLN 21 4.092 -2.765 0.328 168 HA GLN 21 HA GLN 21 3.250 -5.503 1.086 169 HB2 GLN 21 2HB GLN 21 6.102 -4.521 0.634 170 HB3 GLN 21 1HB GLN 21 5.722 -5.992 1.526 171 HG2 GLN 21 2HG GLN 21 4.652 -6.946 -0.487 172 HG3 GLN 21 1HG GLN 21 5.033 -5.474 -1.383 173 HE21 GLN 21 1HE2 GLN 21 7.140 -5.143 -2.085 174 HE22 GLN 21 2HE2 GLN 21 8.361 -6.359 -2.010 175 H PHE 22 H PHE 22 3.242 -5.928 3.248 176 HA PHE 22 HA PHE 22 3.242 -3.748 5.111 177 HB2 PHE 22 2HB PHE 22 2.949 -6.763 5.475 178 HB3 PHE 22 1HB PHE 22 2.840 -5.619 6.805 179 HD1 PHE 22 HD1 PHE 22 1.063 -3.748 6.651 180 HD2 PHE 22 HD2 PHE 22 0.989 -7.245 4.189 181 HE1 PHE 22 HE1 PHE 22 -1.325 -3.396 6.209 182 HE2 PHE 22 HE2 PHE 22 -1.404 -6.880 3.756 183 HZ PHE 22 HZ PHE 22 -2.562 -4.955 4.765 184 H ARG 23 H ARG 23 4.555 -3.510 6.954 185 HA ARG 23 HA ARG 23 7.047 -5.041 7.187 186 HB2 ARG 23 2HB ARG 23 7.604 -2.963 5.841 187 HB3 ARG 23 1HB ARG 23 6.999 -1.974 7.168 188 HG2 ARG 23 2HG ARG 23 9.355 -2.022 7.412 189 HG3 ARG 23 1HG ARG 23 8.750 -3.099 8.656 190 HD2 ARG 23 2HD ARG 23 10.677 -4.117 7.609 191 HD3 ARG 23 1HD ARG 23 9.244 -5.032 7.121 192 HE ARG 23 HE ARG 23 10.016 -2.918 5.310 193 HH11 ARG 23 1HH1 ARG 23 10.517 -6.346 6.028 194 HH12 ARG 23 2HH1 ARG 23 11.045 -6.712 4.415 195 HH21 ARG 23 1HH2 ARG 23 10.675 -3.412 3.232 196 HH22 ARG 23 2HH2 ARG 23 11.136 -5.031 2.814 197 H ARG 24 H ARG 24 6.613 -5.868 9.137 198 HA ARG 24 HA ARG 24 5.568 -4.118 11.274 199 HB2 ARG 24 2HB ARG 24 4.267 -6.232 10.787 200 HB3 ARG 24 1HB ARG 24 5.672 -7.169 11.294 201 HG2 ARG 24 2HG ARG 24 5.539 -6.151 13.545 202 HG3 ARG 24 1HG ARG 24 4.138 -5.202 13.037 203 HD2 ARG 24 2HD ARG 24 3.392 -7.124 14.311 204 HD3 ARG 24 1HD ARG 24 2.888 -7.330 12.631 205 HE ARG 24 HE ARG 24 5.256 -8.651 12.748 206 HH11 ARG 24 1HH1 ARG 24 2.290 -8.940 14.649 207 HH12 ARG 24 2HH1 ARG 24 2.543 -10.626 14.987 208 HH21 ARG 24 1HH2 ARG 24 5.576 -10.837 13.236 209 HH22 ARG 24 2HH2 ARG 24 4.400 -11.689 14.189 210 H THR 25 H THR 25 7.367 -3.109 11.861 211 HA THR 25 HA THR 25 9.592 -4.703 12.997 212 HB THR 25 HB THR 25 10.400 -3.744 10.876 213 HG1 THR 25 HG1 THR 25 11.958 -3.840 12.444 214 HG21 THR 25 3HG2 THR 25 8.914 -1.791 10.669 215 HG22 THR 25 1HG2 THR 25 10.606 -1.312 10.541 216 HG23 THR 25 2HG2 THR 25 9.715 -1.012 12.036 217 H GLN 26 H GLN 26 10.341 -4.006 14.928 218 HA GLN 26 HA GLN 26 10.357 -3.146 17.006 219 HB2 GLN 26 2HB GLN 26 9.186 -0.552 15.919 220 HB3 GLN 26 1HB GLN 26 10.150 -0.768 17.371 221 HG2 GLN 26 2HG GLN 26 11.104 -0.938 14.502 222 HG3 GLN 26 1HG GLN 26 11.491 0.317 15.674 223 HE21 GLN 26 1HE2 GLN 26 12.224 -2.896 14.552 224 HE22 GLN 26 2HE2 GLN 26 13.619 -3.146 15.539 225 H GLY 27 H GLY 27 7.722 -4.150 15.597 226 HA2 GLY 27 2HA GLY 27 5.792 -4.973 16.644 227 HA3 GLY 27 1HA GLY 27 5.932 -3.737 17.886 228 H LYS 28 H LYS 28 6.461 -2.058 15.166 229 HA LYS 28 HA LYS 28 3.657 -1.191 14.952 230 HB2 LYS 28 2HB LYS 28 6.253 0.138 14.059 231 HB3 LYS 28 1HB LYS 28 4.644 0.843 13.896 232 HG2 LYS 28 2HG LYS 28 4.400 1.057 16.281 233 HG3 LYS 28 1HG LYS 28 5.855 0.093 16.570 234 HD2 LYS 28 2HD LYS 28 7.265 1.820 15.608 235 HD3 LYS 28 1HD LYS 28 5.849 2.775 15.140 236 HE2 LYS 28 2HE LYS 28 6.888 3.702 17.148 237 HE3 LYS 28 1HE LYS 28 5.286 3.082 17.544 238 HZ1 LYS 28 3HZ LYS 28 6.963 2.499 19.198 239 HZ2 LYS 28 1HZ LYS 28 7.843 1.651 18.031 240 HZ3 LYS 28 2HZ LYS 28 6.299 1.120 18.477 241 H ILE 29 H ILE 29 2.584 -1.184 13.006 242 HA ILE 29 HA ILE 29 3.796 -2.741 10.811 243 HB ILE 29 HB ILE 29 1.737 -3.689 11.811 244 HG12 ILE 29 2HG1 ILE 29 0.422 -4.041 9.690 245 HG13 ILE 29 1HG1 ILE 29 1.360 -2.764 8.924 246 HG21 ILE 29 1HG2 ILE 29 -0.473 -2.658 11.525 247 HG22 ILE 29 2HG2 ILE 29 0.285 -1.219 10.838 248 HG23 ILE 29 3HG2 ILE 29 0.589 -1.655 12.521 249 HD11 ILE 29 3HD1 ILE 29 2.123 -5.007 8.322 250 HD12 ILE 29 1HD1 ILE 29 2.489 -5.345 10.011 251 HD13 ILE 29 2HD1 ILE 29 3.386 -4.094 9.142 252 H PHE 30 H PHE 30 4.155 -1.855 8.895 253 HA PHE 30 HA PHE 30 3.236 0.885 8.220 254 HB2 PHE 30 2HB PHE 30 6.032 -0.265 7.714 255 HB3 PHE 30 1HB PHE 30 5.473 1.330 7.225 256 HD1 PHE 30 HD1 PHE 30 5.167 3.126 8.931 257 HD2 PHE 30 HD2 PHE 30 6.757 -0.702 10.002 258 HE1 PHE 30 HE1 PHE 30 6.009 4.061 11.048 259 HE2 PHE 30 HE2 PHE 30 7.593 0.243 12.114 260 HZ PHE 30 HZ PHE 30 7.223 2.621 12.640 261 H LEU 31 H LEU 31 2.277 0.917 6.189 262 HA LEU 31 HA LEU 31 2.730 -1.369 4.389 263 HB2 LEU 31 2HB LEU 31 0.387 -0.510 4.648 264 HB3 LEU 31 1HB LEU 31 0.890 1.023 3.939 265 HG LEU 31 HG LEU 31 1.593 -0.256 1.847 266 HD11 LEU 31 1HD1 LEU 31 0.167 -2.575 3.171 267 HD12 LEU 31 2HD1 LEU 31 1.898 -2.458 2.839 268 HD13 LEU 31 3HD1 LEU 31 0.750 -2.525 1.505 269 HD21 LEU 31 3HD2 LEU 31 -1.343 -0.447 2.582 270 HD22 LEU 31 1HD2 LEU 31 -0.682 -0.546 0.948 271 HD23 LEU 31 2HD2 LEU 31 -0.531 0.949 1.869 272 H GLN 32 H GLN 32 4.708 -1.163 3.502 273 HA GLN 32 HA GLN 32 5.698 1.397 2.509 274 HB2 GLN 32 2HB GLN 32 7.007 -1.357 2.545 275 HB3 GLN 32 1HB GLN 32 7.803 0.160 2.119 276 HG2 GLN 32 2HG GLN 32 7.237 1.002 4.441 277 HG3 GLN 32 1HG GLN 32 6.693 -0.628 4.828 278 HE21 GLN 32 1HE2 GLN 32 8.855 0.967 5.987 279 HE22 GLN 32 2HE2 GLN 32 10.290 0.015 5.820 280 H VAL 33 H VAL 33 4.792 1.993 0.659 281 HA VAL 33 HA VAL 33 4.099 0.315 -1.553 282 HB VAL 33 HB VAL 33 4.624 3.339 -1.590 283 HG11 VAL 33 1HG1 VAL 33 4.504 2.345 -3.833 284 HG12 VAL 33 2HG1 VAL 33 3.101 3.371 -3.537 285 HG13 VAL 33 3HG1 VAL 33 2.944 1.616 -3.450 286 HG21 VAL 33 3HG2 VAL 33 2.005 1.910 -0.989 287 HG22 VAL 33 1HG2 VAL 33 2.204 3.654 -1.183 288 HG23 VAL 33 2HG2 VAL 33 2.980 2.821 0.164 289 H MET 34 H MET 34 5.655 -0.748 -2.701 290 HA MET 34 HA MET 34 8.418 -0.040 -2.762 291 HB2 MET 34 2HB MET 34 6.834 -1.965 -4.510 292 HB3 MET 34 1HB MET 34 8.589 -1.833 -4.530 293 HG2 MET 34 2HG MET 34 7.015 -2.580 -2.065 294 HG3 MET 34 1HG MET 34 7.637 -3.757 -3.216 295 HE1 MET 34 3HE MET 34 9.961 -1.712 0.117 296 HE2 MET 34 1HE MET 34 8.259 -2.175 0.081 297 HE3 MET 34 2HE MET 34 8.813 -0.759 -0.816 298 H TRP 35 H TRP 35 9.654 0.378 -4.673 299 HA TRP 35 HA TRP 35 8.597 2.479 -6.370 300 HB2 TRP 35 2HB TRP 35 11.002 2.605 -7.165 301 HB3 TRP 35 1HB TRP 35 10.781 2.877 -5.445 302 HD1 TRP 35 HD1 TRP 35 12.516 0.515 -7.893 303 HE1 TRP 35 HE1 TRP 35 13.998 -1.114 -6.571 304 HE3 TRP 35 HE3 TRP 35 10.926 1.596 -3.133 305 HZ2 TRP 35 HZ2 TRP 35 14.446 -1.852 -3.891 306 HZ3 TRP 35 HZ3 TRP 35 11.931 0.376 -1.248 307 HH2 TRP 35 HH2 TRP 35 13.656 -1.315 -1.622 308 H LYS 36 H LYS 36 8.793 -0.870 -6.526 309 HA LYS 36 HA LYS 36 9.097 -1.070 -9.420 310 HB2 LYS 36 2HB LYS 36 8.514 -3.245 -7.365 311 HB3 LYS 36 1HB LYS 36 8.965 -3.488 -9.054 312 HG2 LYS 36 2HG LYS 36 11.162 -2.308 -8.538 313 HG3 LYS 36 1HG LYS 36 10.701 -2.367 -6.832 314 HD2 LYS 36 2HD LYS 36 10.529 -4.872 -7.024 315 HD3 LYS 36 1HD LYS 36 11.128 -4.745 -8.679 316 HE2 LYS 36 2HE LYS 36 13.221 -3.714 -7.814 317 HE3 LYS 36 1HE LYS 36 12.622 -3.931 -6.165 318 HZ1 LYS 36 3HZ LYS 36 12.567 -6.327 -6.544 319 HZ2 LYS 36 1HZ LYS 36 14.122 -5.712 -6.817 320 HZ3 LYS 36 2HZ LYS 36 13.129 -6.109 -8.124 321 H TYR 37 H TYR 37 7.486 -1.663 -10.777 322 HA TYR 37 HA TYR 37 4.709 -1.801 -9.819 323 HB2 TYR 37 2HB TYR 37 4.122 -0.218 -11.792 324 HB3 TYR 37 1HB TYR 37 4.827 0.507 -10.355 325 HD1 TYR 37 HD2 TYR 37 5.430 -0.315 -13.915 326 HD2 TYR 37 HD1 TYR 37 7.067 1.515 -10.416 327 HE1 TYR 37 HE2 TYR 37 7.152 0.777 -15.279 328 HE2 TYR 37 HE1 TYR 37 8.777 2.607 -11.787 329 HH TYR 37 HH TYR 37 8.627 2.708 -15.178 330 H LEU 38 H LEU 38 3.238 -2.640 -11.479 331 HA LEU 38 HA LEU 38 4.134 -5.122 -12.343 332 HB2 LEU 38 2HB LEU 38 1.818 -4.703 -11.738 333 HB3 LEU 38 1HB LEU 38 1.627 -3.586 -13.075 334 HG LEU 38 HG LEU 38 1.854 -5.484 -14.686 335 HD11 LEU 38 1HD1 LEU 38 1.889 -7.287 -12.245 336 HD12 LEU 38 2HD1 LEU 38 3.212 -7.043 -13.390 337 HD13 LEU 38 3HD1 LEU 38 1.718 -7.813 -13.925 338 HD21 LEU 38 3HD2 LEU 38 -0.373 -4.735 -13.964 339 HD22 LEU 38 1HD2 LEU 38 -0.342 -5.895 -12.632 340 HD23 LEU 38 2HD2 LEU 38 -0.354 -6.464 -14.304 341 H GLU 39 H GLU 39 3.999 -2.103 -14.135 342 HA GLU 39 HA GLU 39 4.110 -3.127 -16.779 343 HB2 GLU 39 2HB GLU 39 4.973 -0.430 -15.682 344 HB3 GLU 39 1HB GLU 39 4.911 -0.814 -17.397 345 HG2 GLU 39 2HG GLU 39 2.539 -0.839 -15.517 346 HG3 GLU 39 1HG GLU 39 2.945 0.464 -16.631 347 H GLN 40 H GLN 40 6.587 -3.073 -14.402 348 HA GLN 40 HA GLN 40 8.858 -3.023 -16.184 349 HB2 GLN 40 2HB GLN 40 8.654 -4.127 -13.341 350 HB3 GLN 40 1HB GLN 40 10.149 -3.802 -14.214 351 HG2 GLN 40 2HG GLN 40 9.620 -1.389 -14.217 352 HG3 GLN 40 1HG GLN 40 8.118 -1.722 -13.353 353 HE21 GLN 40 1HE2 GLN 40 10.364 -0.034 -12.538 354 HE22 GLN 40 2HE2 GLN 40 10.936 -0.675 -11.036 355 H ALA 41 H ALA 41 9.846 -4.761 -17.180 356 HA ALA 41 HA ALA 41 8.667 -7.410 -17.179 357 HB1 ALA 41 3HB ALA 41 9.691 -6.502 -19.225 358 HB2 ALA 41 1HB ALA 41 10.479 -8.002 -18.736 359 HB3 ALA 41 2HB ALA 41 11.265 -6.448 -18.434 360 H SER 42 H SER 42 11.058 -5.756 -15.331 361 HA SER 42 HA SER 42 12.492 -8.032 -14.303 362 HB2 SER 42 2HB SER 42 13.439 -5.698 -14.429 363 HB3 SER 42 1HB SER 42 12.319 -5.211 -13.159 364 HG SER 42 HG SER 42 13.955 -7.433 -12.698 365 H PHE 43 H PHE 43 9.460 -6.609 -13.658 366 HA PHE 43 HA PHE 43 9.053 -7.250 -10.922 367 HB2 PHE 43 2HB PHE 43 7.694 -5.723 -12.654 368 HB3 PHE 43 1HB PHE 43 6.811 -7.202 -12.977 369 HD1 PHE 43 HD1 PHE 43 7.878 -4.991 -10.154 370 HD2 PHE 43 HD2 PHE 43 4.888 -7.663 -11.648 371 HE1 PHE 43 HE1 PHE 43 6.387 -4.374 -8.310 372 HE2 PHE 43 HE2 PHE 43 3.413 -7.032 -9.797 373 HZ PHE 43 HZ PHE 43 4.162 -5.386 -8.137 374 HA PRO 44 HA PRO 44 8.757 -11.722 -11.788 375 HB2 PRO 44 2HB PRO 44 8.933 -12.675 -9.293 376 HB3 PRO 44 1HB PRO 44 10.275 -11.725 -9.967 377 HG2 PRO 44 2HG PRO 44 8.129 -10.859 -8.063 378 HG3 PRO 44 1HG PRO 44 9.867 -10.497 -8.031 379 HD2 PRO 44 2HD PRO 44 7.892 -8.795 -9.074 380 HD3 PRO 44 1HD PRO 44 9.628 -8.691 -9.440 381 H MET 45 H MET 45 6.211 -9.911 -10.962 382 HA MET 45 HA MET 45 4.406 -12.098 -10.097 383 HB2 MET 45 2HB MET 45 4.222 -9.088 -9.624 384 HB3 MET 45 1HB MET 45 3.029 -10.265 -9.096 385 HG2 MET 45 2HG MET 45 4.485 -11.156 -7.445 386 HG3 MET 45 1HG MET 45 5.902 -10.406 -8.179 387 HE1 MET 45 3HE MET 45 2.669 -7.754 -6.206 388 HE2 MET 45 1HE MET 45 2.373 -9.438 -6.640 389 HE3 MET 45 2HE MET 45 2.636 -8.227 -7.906 390 H ASN 46 H ASN 46 2.707 -12.540 -11.412 391 HA ASN 46 HA ASN 46 2.582 -11.433 -14.068 392 HB2 ASN 46 2HB ASN 46 0.808 -13.490 -12.667 393 HB3 ASN 46 1HB ASN 46 0.684 -13.069 -14.373 394 HD21 ASN 46 1HD2 ASN 46 1.122 -15.197 -14.978 395 HD22 ASN 46 2HD2 ASN 46 2.711 -15.867 -14.885 396 H GLU 47 H GLU 47 0.164 -11.040 -14.945 397 HA GLU 47 HA GLU 47 -0.622 -8.496 -14.073 398 HB2 GLU 47 2HB GLU 47 -2.163 -10.507 -15.776 399 HB3 GLU 47 1HB GLU 47 -2.611 -8.813 -15.613 400 HG2 GLU 47 2HG GLU 47 0.065 -9.721 -16.691 401 HG3 GLU 47 1HG GLU 47 -1.335 -9.449 -17.715 402 H THR 48 H THR 48 -2.714 -11.379 -13.950 403 HA THR 48 HA THR 48 -4.654 -10.308 -12.200 404 HB THR 48 HB THR 48 -4.096 -13.274 -12.700 405 HG1 THR 48 HG1 THR 48 -5.786 -12.795 -14.407 406 HG21 THR 48 3HG2 THR 48 -6.510 -13.578 -12.411 407 HG22 THR 48 1HG2 THR 48 -6.732 -11.846 -12.138 408 HG23 THR 48 2HG2 THR 48 -5.840 -12.821 -10.968 409 H GLU 49 H GLU 49 -1.738 -12.210 -11.681 410 HA GLU 49 HA GLU 49 -2.165 -12.955 -8.968 411 HB2 GLU 49 2HB GLU 49 0.451 -12.707 -10.506 412 HB3 GLU 49 1HB GLU 49 0.251 -13.532 -8.963 413 HG2 GLU 49 2HG GLU 49 -1.044 -14.333 -11.583 414 HG3 GLU 49 1HG GLU 49 0.354 -15.107 -10.846 415 H TYR 50 H TYR 50 -0.646 -10.144 -10.492 416 HA TYR 50 HA TYR 50 0.327 -8.894 -8.143 417 HB2 TYR 50 2HB TYR 50 1.206 -7.994 -10.148 418 HB3 TYR 50 1HB TYR 50 -0.372 -7.883 -10.922 419 HD1 TYR 50 HD1 TYR 50 1.647 -6.385 -8.120 420 HD2 TYR 50 HD2 TYR 50 -1.505 -5.803 -10.949 421 HE1 TYR 50 HE1 TYR 50 1.410 -4.048 -7.399 422 HE2 TYR 50 HE2 TYR 50 -1.727 -3.483 -10.230 423 HH TYR 50 HH TYR 50 0.460 -1.983 -8.036 424 H GLN 51 H GLN 51 -2.840 -8.781 -9.788 425 HA GLN 51 HA GLN 51 -4.024 -6.827 -8.078 426 HB2 GLN 51 2HB GLN 51 -4.803 -7.682 -10.436 427 HB3 GLN 51 1HB GLN 51 -5.639 -8.947 -9.554 428 HG2 GLN 51 2HG GLN 51 -6.118 -5.968 -9.139 429 HG3 GLN 51 1HG GLN 51 -7.062 -6.975 -10.226 430 HE21 GLN 51 1HE2 GLN 51 -7.872 -5.401 -7.860 431 HE22 GLN 51 2HE2 GLN 51 -8.677 -6.515 -6.814 432 H GLU 52 H GLU 52 -3.821 -10.378 -7.934 433 HA GLU 52 HA GLU 52 -5.422 -10.851 -5.662 434 HB2 GLU 52 2HB GLU 52 -2.973 -12.354 -6.662 435 HB3 GLU 52 1HB GLU 52 -4.041 -12.952 -5.399 436 HG2 GLU 52 2HG GLU 52 -4.843 -12.402 -8.268 437 HG3 GLU 52 1HG GLU 52 -4.484 -13.986 -7.592 438 H HIS 53 H HIS 53 -2.016 -9.930 -5.978 439 HA HIS 53 HA HIS 53 -1.259 -10.082 -3.260 440 HB2 HIS 53 2HB HIS 53 0.414 -9.855 -5.035 441 HB3 HIS 53 1HB HIS 53 -0.217 -8.278 -5.490 442 HD1 HIS 53 HD1 HIS 53 1.562 -9.956 -2.574 443 HD2 HIS 53 HD2 HIS 53 0.994 -6.169 -4.201 444 HE1 HIS 53 HE1 HIS 53 3.066 -8.427 -1.270 445 HE2 HIS 53 HE2 HIS 53 2.772 -6.164 -2.321 446 H LEU 54 H LEU 54 -2.592 -7.397 -5.185 447 HA LEU 54 HA LEU 54 -2.563 -5.386 -3.199 448 HB2 LEU 54 2HB LEU 54 -4.459 -5.726 -5.550 449 HB3 LEU 54 1HB LEU 54 -4.280 -4.250 -4.610 450 HG LEU 54 HG LEU 54 -2.115 -5.496 -6.346 451 HD11 LEU 54 1HD1 LEU 54 -3.913 -3.094 -6.796 452 HD12 LEU 54 2HD1 LEU 54 -3.931 -4.618 -7.690 453 HD13 LEU 54 3HD1 LEU 54 -2.545 -3.545 -7.811 454 HD21 LEU 54 3HD2 LEU 54 -1.133 -4.280 -4.451 455 HD22 LEU 54 1HD2 LEU 54 -2.117 -2.860 -4.824 456 HD23 LEU 54 2HD2 LEU 54 -0.871 -3.400 -5.953 457 H ASP 55 H ASP 55 -5.031 -7.689 -4.200 458 HA ASP 55 HA ASP 55 -7.186 -6.712 -2.669 459 HB2 ASP 55 2HB ASP 55 -7.458 -8.168 -4.659 460 HB3 ASP 55 1HB ASP 55 -6.719 -9.518 -3.801 461 H SER 56 H SER 56 -4.718 -9.162 -2.039 462 HA SER 56 HA SER 56 -5.672 -10.123 0.448 463 HB2 SER 56 2HB SER 56 -3.955 -11.288 -0.945 464 HB3 SER 56 1HB SER 56 -2.794 -10.014 -0.565 465 HG SER 56 HG SER 56 -3.140 -12.183 0.780 466 H VAL 57 H VAL 57 -3.320 -7.587 -0.375 467 HA VAL 57 HA VAL 57 -2.589 -6.841 2.252 468 HB VAL 57 HB VAL 57 -2.425 -5.314 -0.389 469 HG11 VAL 57 1HG1 VAL 57 -2.450 -3.666 1.419 470 HG12 VAL 57 2HG1 VAL 57 -0.833 -3.776 0.728 471 HG13 VAL 57 3HG1 VAL 57 -1.182 -4.543 2.277 472 HG21 VAL 57 3HG2 VAL 57 -0.275 -6.774 1.204 473 HG22 VAL 57 1HG2 VAL 57 -0.027 -5.902 -0.311 474 HG23 VAL 57 2HG2 VAL 57 -1.032 -7.350 -0.282 475 H ALA 58 H ALA 58 -4.916 -5.365 -0.020 476 HA ALA 58 HA ALA 58 -5.781 -3.284 1.682 477 HB1 ALA 58 3HB ALA 58 -6.028 -3.190 -0.749 478 HB2 ALA 58 1HB ALA 58 -7.576 -2.936 0.052 479 HB3 ALA 58 2HB ALA 58 -7.213 -4.494 -0.701 480 H ASN 59 H ASN 59 -6.788 -6.622 1.352 481 HA ASN 59 HA ASN 59 -9.250 -6.512 2.771 482 HB2 ASN 59 2HB ASN 59 -8.505 -8.460 1.362 483 HB3 ASN 59 1HB ASN 59 -7.284 -8.845 2.574 484 HD21 ASN 59 1HD2 ASN 59 -8.124 -10.849 3.037 485 HD22 ASN 59 2HD2 ASN 59 -9.630 -11.104 3.840 486 H TYR 60 H TYR 60 -5.871 -7.088 3.787 487 HA TYR 60 HA TYR 60 -6.338 -7.310 6.582 488 HB2 TYR 60 2HB TYR 60 -3.892 -6.609 4.933 489 HB3 TYR 60 1HB TYR 60 -3.829 -6.452 6.682 490 HD1 TYR 60 HD1 TYR 60 -4.786 -8.598 7.982 491 HD2 TYR 60 HD2 TYR 60 -3.088 -8.646 4.062 492 HE1 TYR 60 HE1 TYR 60 -4.232 -10.952 8.260 493 HE2 TYR 60 HE2 TYR 60 -2.529 -11.029 4.337 494 HH TYR 60 HH TYR 60 -3.786 -12.931 6.881 495 H LEU 61 H LEU 61 -5.555 -4.546 4.518 496 HA LEU 61 HA LEU 61 -5.245 -2.576 6.488 497 HB2 LEU 61 2HB LEU 61 -6.203 -2.335 3.610 498 HB3 LEU 61 1HB LEU 61 -5.738 -0.968 4.608 499 HG LEU 61 HG LEU 61 -3.848 -3.226 3.844 500 HD11 LEU 61 1HD1 LEU 61 -4.027 -0.455 2.628 501 HD12 LEU 61 2HD1 LEU 61 -4.524 -1.961 1.852 502 HD13 LEU 61 3HD1 LEU 61 -2.830 -1.698 2.249 503 HD21 LEU 61 3HD2 LEU 61 -3.198 -2.142 5.925 504 HD22 LEU 61 1HD2 LEU 61 -3.296 -0.549 5.163 505 HD23 LEU 61 2HD2 LEU 61 -2.075 -1.714 4.639 506 H HIS 62 H HIS 62 -8.149 -3.738 4.829 507 HA HIS 62 HA HIS 62 -9.989 -1.911 6.114 508 HB2 HIS 62 2HB HIS 62 -10.460 -2.829 3.884 509 HB3 HIS 62 1HB HIS 62 -10.435 -4.473 4.512 510 HD1 HIS 62 HD1 HIS 62 -12.642 -5.400 5.183 511 HD2 HIS 62 HD2 HIS 62 -12.753 -1.259 4.940 512 HE1 HIS 62 HE1 HIS 62 -15.051 -4.776 5.469 513 HE2 HIS 62 HE2 HIS 62 -15.104 -2.276 5.243 514 H ALA 63 H ALA 63 -8.758 -5.148 6.759 515 HA ALA 63 HA ALA 63 -10.657 -5.958 8.734 516 HB1 ALA 63 3HB ALA 63 -7.809 -6.956 8.295 517 HB2 ALA 63 1HB ALA 63 -9.255 -7.571 7.490 518 HB3 ALA 63 2HB ALA 63 -9.068 -7.772 9.231 519 H LEU 64 H LEU 64 -7.640 -4.184 8.831 520 HA LEU 64 HA LEU 64 -7.503 -4.160 11.767 521 HB2 LEU 64 2HB LEU 64 -5.551 -3.082 9.679 522 HB3 LEU 64 1HB LEU 64 -5.257 -3.167 11.408 523 HG LEU 64 HG LEU 64 -5.634 -5.583 9.590 524 HD11 LEU 64 1HD1 LEU 64 -3.236 -6.015 9.868 525 HD12 LEU 64 2HD1 LEU 64 -3.057 -4.521 10.796 526 HD13 LEU 64 3HD1 LEU 64 -3.519 -4.454 9.094 527 HD21 LEU 64 3HD2 LEU 64 -6.389 -6.069 11.853 528 HD22 LEU 64 1HD2 LEU 64 -4.861 -5.485 12.518 529 HD23 LEU 64 2HD2 LEU 64 -4.894 -6.933 11.508 530 H GLY 65 H GLY 65 -8.477 -2.148 9.104 531 HA2 GLY 65 2HA GLY 65 -9.662 -0.114 9.232 532 HA3 GLY 65 1HA GLY 65 -9.093 0.122 10.878 533 H GLY 66 H GLY 66 -6.549 -0.787 8.866 534 HA2 GLY 66 2HA GLY 66 -5.347 1.866 8.959 535 HA3 GLY 66 1HA GLY 66 -4.565 0.365 8.490 536 H ALA 67 H ALA 67 -7.377 0.444 6.749 537 HA ALA 67 HA ALA 67 -6.131 1.004 4.270 538 HB1 ALA 67 3HB ALA 67 -8.057 -0.497 4.480 539 HB2 ALA 67 1HB ALA 67 -8.367 0.773 3.297 540 HB3 ALA 67 2HB ALA 67 -9.093 0.865 4.905 541 H VAL 68 H VAL 68 -8.247 2.892 6.359 542 HA VAL 68 HA VAL 68 -8.526 5.207 4.737 543 HB VAL 68 HB VAL 68 -8.597 5.035 7.803 544 HG11 VAL 68 1HG1 VAL 68 -9.829 7.113 5.950 545 HG12 VAL 68 2HG1 VAL 68 -8.447 7.362 7.020 546 HG13 VAL 68 3HG1 VAL 68 -10.042 7.042 7.701 547 HG21 VAL 68 3HG2 VAL 68 -11.038 4.732 7.591 548 HG22 VAL 68 1HG2 VAL 68 -10.161 3.415 6.810 549 HG23 VAL 68 2HG2 VAL 68 -10.891 4.691 5.833 550 H GLN 69 H GLN 69 -6.108 4.214 7.161 551 HA GLN 69 HA GLN 69 -4.587 6.573 7.354 552 HB2 GLN 69 2HB GLN 69 -3.569 3.704 7.567 553 HB3 GLN 69 1HB GLN 69 -2.740 5.135 8.171 554 HG2 GLN 69 2HG GLN 69 -5.397 4.080 9.180 555 HG3 GLN 69 1HG GLN 69 -3.837 3.862 9.971 556 HE21 GLN 69 1HE2 GLN 69 -6.251 5.107 11.007 557 HE22 GLN 69 2HE2 GLN 69 -5.806 6.712 11.456 558 H VAL 70 H VAL 70 -4.358 3.866 5.062 559 HA VAL 70 HA VAL 70 -2.068 4.708 3.613 560 HB VAL 70 HB VAL 70 -4.415 2.960 2.717 561 HG11 VAL 70 1HG1 VAL 70 -3.178 3.754 0.751 562 HG12 VAL 70 2HG1 VAL 70 -2.904 2.031 1.001 563 HG13 VAL 70 3HG1 VAL 70 -1.658 3.195 1.453 564 HG21 VAL 70 3HG2 VAL 70 -3.275 2.083 4.707 565 HG22 VAL 70 1HG2 VAL 70 -1.722 2.153 3.871 566 HG23 VAL 70 2HG2 VAL 70 -2.984 1.050 3.309 567 H LYS 71 H LYS 71 -5.557 5.108 2.980 568 HA LYS 71 HA LYS 71 -5.341 6.533 0.542 569 HB2 LYS 71 2HB LYS 71 -7.611 6.351 2.559 570 HB3 LYS 71 1HB LYS 71 -7.780 7.130 0.994 571 HG2 LYS 71 2HG LYS 71 -7.081 4.914 -0.063 572 HG3 LYS 71 1HG LYS 71 -7.212 4.207 1.549 573 HD2 LYS 71 2HD LYS 71 -9.258 3.743 0.349 574 HD3 LYS 71 1HD LYS 71 -9.621 4.911 1.616 575 HE2 LYS 71 2HE LYS 71 -9.690 6.719 -0.006 576 HE3 LYS 71 1HE LYS 71 -9.128 5.645 -1.289 577 HZ1 LYS 71 3HZ LYS 71 -11.195 4.362 -1.037 578 HZ2 LYS 71 1HZ LYS 71 -11.498 5.973 -1.447 579 HZ3 LYS 71 2HZ LYS 71 -11.733 5.453 0.138 580 H THR 72 H THR 72 -5.350 7.609 3.880 581 HA THR 72 HA THR 72 -5.682 10.419 3.317 582 HB THR 72 HB THR 72 -4.803 8.988 5.879 583 HG1 THR 72 HG1 THR 72 -7.011 8.650 4.880 584 HG21 THR 72 3HG2 THR 72 -4.166 11.383 5.921 585 HG22 THR 72 1HG2 THR 72 -5.482 11.051 7.045 586 HG23 THR 72 2HG2 THR 72 -5.821 11.838 5.502 587 H PHE 73 H PHE 73 -2.957 8.268 4.134 588 HA PHE 73 HA PHE 73 -0.968 10.265 4.442 589 HB2 PHE 73 2HB PHE 73 -0.768 7.936 5.350 590 HB3 PHE 73 1HB PHE 73 -0.566 7.326 3.716 591 HD1 PHE 73 HD2 PHE 73 1.047 9.215 6.457 592 HD2 PHE 73 HD1 PHE 73 1.573 7.629 2.521 593 HE1 PHE 73 HE2 PHE 73 3.476 9.534 6.644 594 HE2 PHE 73 HE1 PHE 73 4.003 7.958 2.719 595 HZ PHE 73 HZ PHE 73 4.952 8.905 4.776 596 H ILE 74 H ILE 74 -1.750 8.096 1.714 597 HA ILE 74 HA ILE 74 0.274 8.964 -0.046 598 HB ILE 74 HB ILE 74 -2.331 7.456 -0.522 599 HG12 ILE 74 2HG1 ILE 74 0.619 6.636 -0.504 600 HG13 ILE 74 1HG1 ILE 74 -0.604 6.195 0.681 601 HG21 ILE 74 1HG2 ILE 74 -0.225 8.050 -2.637 602 HG22 ILE 74 2HG2 ILE 74 -1.864 8.701 -2.602 603 HG23 ILE 74 3HG2 ILE 74 -1.611 6.973 -2.836 604 HD11 ILE 74 3HD1 ILE 74 -0.091 4.328 -0.738 605 HD12 ILE 74 1HD1 ILE 74 -0.467 5.264 -2.183 606 HD13 ILE 74 2HD1 ILE 74 -1.745 4.853 -1.039 607 H THR 75 H THR 75 -3.026 10.178 0.478 608 HA THR 75 HA THR 75 -3.068 12.012 -1.716 609 HB THR 75 HB THR 75 -4.674 12.055 0.886 610 HG1 THR 75 HG1 THR 75 -4.956 10.206 -0.463 611 HG21 THR 75 3HG2 THR 75 -5.244 13.513 -1.735 612 HG22 THR 75 1HG2 THR 75 -4.723 14.283 -0.236 613 HG23 THR 75 2HG2 THR 75 -6.292 13.483 -0.313 614 H GLN 76 H GLN 76 -2.268 12.390 1.737 615 HA GLN 76 HA GLN 76 -1.794 15.198 1.646 616 HB2 GLN 76 2HB GLN 76 -1.124 13.063 3.695 617 HB3 GLN 76 1HB GLN 76 -0.639 14.739 3.923 618 HG2 GLN 76 2HG GLN 76 -3.033 15.431 3.802 619 HG3 GLN 76 1HG GLN 76 -3.489 13.731 3.649 620 HE21 GLN 76 1HE2 GLN 76 -4.736 13.957 5.578 621 HE22 GLN 76 2HE2 GLN 76 -3.992 13.970 7.134 622 H THR 77 H THR 77 0.371 12.411 1.239 623 HA THR 77 HA THR 77 2.792 13.961 1.468 624 HB THR 77 HB THR 77 2.669 11.472 2.004 625 HG1 THR 77 HG1 THR 77 4.784 11.282 1.496 626 HG21 THR 77 3HG2 THR 77 1.437 10.676 -0.012 627 HG22 THR 77 1HG2 THR 77 2.980 9.840 0.184 628 HG23 THR 77 2HG2 THR 77 2.815 11.117 -1.023 629 H LYS 78 H LYS 78 4.318 14.270 -0.247 630 HA LYS 78 HA LYS 78 3.257 14.292 -3.023 631 HB2 LYS 78 2HB LYS 78 5.235 16.276 -1.793 632 HB3 LYS 78 1HB LYS 78 4.647 16.293 -3.457 633 HG2 LYS 78 2HG LYS 78 2.380 16.787 -2.709 634 HG3 LYS 78 1HG LYS 78 2.874 16.637 -1.019 635 HD2 LYS 78 2HD LYS 78 4.420 18.601 -1.356 636 HD3 LYS 78 1HD LYS 78 3.767 18.778 -2.987 637 HE2 LYS 78 2HE LYS 78 1.525 19.196 -2.072 638 HE3 LYS 78 1HE LYS 78 2.130 18.940 -0.432 639 HZ1 LYS 78 3HZ LYS 78 3.504 20.888 -0.628 640 HZ2 LYS 78 1HZ LYS 78 1.914 21.295 -1.030 641 HZ3 LYS 78 2HZ LYS 78 3.068 21.102 -2.247 642 H GLU 79 H GLU 79 5.163 12.663 -1.012 643 HA GLU 79 HA GLU 79 7.624 12.349 -2.430 644 HB2 GLU 79 2HB GLU 79 6.270 10.466 -0.443 645 HB3 GLU 79 1HB GLU 79 7.940 10.342 -0.994 646 HG2 GLU 79 2HG GLU 79 8.486 12.467 0.093 647 HG3 GLU 79 1HG GLU 79 6.803 12.669 0.577 648 H ARG 80 H ARG 80 8.242 10.699 -3.743 649 HA ARG 80 HA ARG 80 6.171 8.971 -4.955 650 HB2 ARG 80 2HB ARG 80 8.571 10.372 -6.236 651 HB3 ARG 80 1HB ARG 80 7.709 9.048 -7.024 652 HG2 ARG 80 2HG ARG 80 5.644 10.336 -7.023 653 HG3 ARG 80 1HG ARG 80 6.430 11.630 -6.142 654 HD2 ARG 80 2HD ARG 80 7.904 12.078 -8.058 655 HD3 ARG 80 1HD ARG 80 7.189 10.724 -8.944 656 HE ARG 80 HE ARG 80 5.685 13.149 -8.133 657 HH11 ARG 80 1HH1 ARG 80 6.361 10.674 -10.549 658 HH12 ARG 80 2HH1 ARG 80 5.214 11.314 -11.687 659 HH21 ARG 80 1HH2 ARG 80 4.217 13.992 -9.642 660 HH22 ARG 80 2HH2 ARG 80 4.003 13.195 -11.170 661 HA PRO 81 HA PRO 81 8.785 5.539 -3.589 662 HB2 PRO 81 2HB PRO 81 7.729 4.057 -5.975 663 HB3 PRO 81 1HB PRO 81 7.598 3.655 -4.251 664 HG2 PRO 81 2HG PRO 81 5.475 4.519 -5.652 665 HG3 PRO 81 1HG PRO 81 5.699 4.951 -3.941 666 HD2 PRO 81 2HD PRO 81 6.205 6.639 -6.395 667 HD3 PRO 81 1HD PRO 81 5.520 7.088 -4.819 668 H ARG 82 H ARG 82 10.895 5.577 -3.967 669 HA ARG 82 HA ARG 82 11.984 6.079 -6.680 670 HB2 ARG 82 2HB ARG 82 12.042 8.024 -5.011 671 HB3 ARG 82 1HB ARG 82 13.109 7.054 -4.011 672 HG2 ARG 82 2HG ARG 82 14.439 8.630 -5.262 673 HG3 ARG 82 1HG ARG 82 14.771 7.008 -5.875 674 HD2 ARG 82 2HD ARG 82 13.244 7.417 -7.777 675 HD3 ARG 82 1HD ARG 82 12.907 9.039 -7.162 676 HE ARG 82 HE ARG 82 15.707 8.554 -7.614 677 HH11 ARG 82 1HH1 ARG 82 12.705 9.483 -9.203 678 HH12 ARG 82 2HH1 ARG 82 13.500 10.333 -10.490 679 HH21 ARG 82 1HH2 ARG 82 16.756 9.656 -9.273 680 HH22 ARG 82 2HH2 ARG 82 15.840 10.433 -10.528 681 H LEU 83 H LEU 83 14.226 5.236 -6.953 682 HA LEU 83 HA LEU 83 14.440 2.532 -6.383 683 HB2 LEU 83 2HB LEU 83 15.538 3.710 -8.274 684 HB3 LEU 83 1HB LEU 83 16.673 4.441 -7.154 685 HG LEU 83 HG LEU 83 17.603 2.187 -6.625 686 HD11 LEU 83 1HD1 LEU 83 15.607 0.820 -7.003 687 HD12 LEU 83 2HD1 LEU 83 16.957 0.221 -7.962 688 HD13 LEU 83 3HD1 LEU 83 15.675 1.159 -8.734 689 HD21 LEU 83 3HD2 LEU 83 17.550 2.796 -9.603 690 HD22 LEU 83 1HD2 LEU 83 18.758 1.814 -8.767 691 HD23 LEU 83 2HD2 LEU 83 18.629 3.538 -8.418 692 H GLY 84 H GLY 84 14.329 1.966 -4.256 693 HA2 GLY 84 2HA GLY 84 15.658 1.181 -2.389 694 HA3 GLY 84 1HA GLY 84 16.563 2.694 -2.424 695 H LYS 85 H LYS 85 14.140 4.305 -2.838 696 HA LYS 85 HA LYS 85 13.316 4.552 -0.050 697 HB2 LYS 85 2HB LYS 85 14.088 6.549 -1.365 698 HB3 LYS 85 1HB LYS 85 12.715 6.351 -2.444 699 HG2 LYS 85 2HG LYS 85 11.202 6.664 -0.426 700 HG3 LYS 85 1HG LYS 85 12.646 7.083 0.501 701 HD2 LYS 85 2HD LYS 85 13.072 8.965 -1.124 702 HD3 LYS 85 1HD LYS 85 11.544 8.571 -1.920 703 HE2 LYS 85 2HE LYS 85 11.908 9.520 0.943 704 HE3 LYS 85 1HE LYS 85 11.201 10.432 -0.391 705 HZ1 LYS 85 3HZ LYS 85 9.513 9.517 1.065 706 HZ2 LYS 85 1HZ LYS 85 10.083 7.948 0.796 707 HZ3 LYS 85 2HZ LYS 85 9.394 8.829 -0.473 708 H ALA 86 H ALA 86 11.676 3.100 0.397 709 HA ALA 86 HA ALA 86 9.299 2.847 -1.276 710 HB1 ALA 86 3HB ALA 86 9.843 1.868 1.559 711 HB2 ALA 86 1HB ALA 86 10.086 0.934 0.079 712 HB3 ALA 86 2HB ALA 86 8.458 1.416 0.557 713 H VAL 87 H VAL 87 7.225 3.704 -0.721 714 HA VAL 87 HA VAL 87 7.180 6.041 1.049 715 HB VAL 87 HB VAL 87 4.925 4.844 -0.647 716 HG11 VAL 87 1HG1 VAL 87 4.010 6.116 1.257 717 HG12 VAL 87 2HG1 VAL 87 3.712 6.966 -0.258 718 HG13 VAL 87 3HG1 VAL 87 5.000 7.511 0.819 719 HG21 VAL 87 3HG2 VAL 87 5.327 6.740 -2.184 720 HG22 VAL 87 1HG2 VAL 87 6.764 5.727 -2.026 721 HG23 VAL 87 2HG2 VAL 87 6.678 7.273 -1.180 722 H SER 88 H SER 88 7.501 5.189 3.068 723 HA SER 88 HA SER 88 6.100 2.836 4.025 724 HB2 SER 88 2HB SER 88 8.477 3.283 4.648 725 HB3 SER 88 1HB SER 88 7.972 4.737 5.506 726 HG SER 88 HG SER 88 7.569 3.510 7.148 727 H ILE 89 H ILE 89 4.032 3.086 4.494 728 HA ILE 89 HA ILE 89 2.880 5.565 5.550 729 HB ILE 89 HB ILE 89 1.548 2.951 4.669 730 HG12 ILE 89 2HG1 ILE 89 1.803 5.571 3.113 731 HG13 ILE 89 1HG1 ILE 89 2.777 4.137 2.822 732 HG21 ILE 89 1HG2 ILE 89 0.288 5.660 5.259 733 HG22 ILE 89 2HG2 ILE 89 0.125 4.204 6.237 734 HG23 ILE 89 3HG2 ILE 89 -0.567 4.255 4.617 735 HD11 ILE 89 3HD1 ILE 89 1.037 4.318 1.197 736 HD12 ILE 89 1HD1 ILE 89 -0.197 4.379 2.456 737 HD13 ILE 89 2HD1 ILE 89 0.749 2.906 2.215 738 HA PRO 90 HA PRO 90 3.053 3.409 9.657 739 HB2 PRO 90 2HB PRO 90 2.176 6.082 10.695 740 HB3 PRO 90 1HB PRO 90 3.605 5.119 11.128 741 HG2 PRO 90 2HG PRO 90 3.839 7.377 9.699 742 HG3 PRO 90 1HG PRO 90 4.896 5.978 9.400 743 HD2 PRO 90 2HD PRO 90 2.455 6.863 7.848 744 HD3 PRO 90 1HD PRO 90 4.038 6.308 7.251 745 H LEU 91 H LEU 91 1.283 2.106 9.850 746 HA LEU 91 HA LEU 91 -1.411 3.071 9.340 747 HB2 LEU 91 2HB LEU 91 -0.473 0.344 10.307 748 HB3 LEU 91 1HB LEU 91 -2.092 0.734 9.744 749 HG LEU 91 HG LEU 91 0.439 0.694 8.048 750 HD11 LEU 91 1HD1 LEU 91 -0.636 -1.220 6.917 751 HD12 LEU 91 2HD1 LEU 91 -1.972 -1.147 8.070 752 HD13 LEU 91 3HD1 LEU 91 -0.345 -1.536 8.628 753 HD21 LEU 91 3HD2 LEU 91 -1.063 1.109 6.122 754 HD22 LEU 91 1HD2 LEU 91 -1.010 2.466 7.247 755 HD23 LEU 91 2HD2 LEU 91 -2.403 1.383 7.238 756 H ASP 92 H ASP 92 -1.848 4.536 10.946 757 HA ASP 92 HA ASP 92 -1.425 3.998 13.736 758 HB2 ASP 92 2HB ASP 92 -1.554 6.330 12.719 759 HB3 ASP 92 1HB ASP 92 -3.289 6.106 12.553 760 H LEU 93 H LEU 93 -2.454 2.241 14.466 761 HA LEU 93 HA LEU 93 -5.355 1.873 13.995 762 HB2 LEU 93 2HB LEU 93 -3.307 -0.106 15.090 763 HB3 LEU 93 1HB LEU 93 -4.987 -0.454 14.713 764 HG LEU 93 HG LEU 93 -2.789 0.199 12.707 765 HD11 LEU 93 1HD1 LEU 93 -2.598 -2.063 13.585 766 HD12 LEU 93 2HD1 LEU 93 -3.147 -2.114 11.912 767 HD13 LEU 93 3HD1 LEU 93 -4.299 -2.384 13.226 768 HD21 LEU 93 3HD2 LEU 93 -4.873 1.170 11.902 769 HD22 LEU 93 1HD2 LEU 93 -5.727 -0.353 12.171 770 HD23 LEU 93 2HD2 LEU 93 -4.466 -0.249 10.940 771 H GLY 94 H GLY 94 -3.900 3.755 15.958 772 HA2 GLY 94 2HA GLY 94 -4.266 2.809 18.610 773 HA3 GLY 94 1HA GLY 94 -4.136 4.492 18.125 774 H GLU 95 H GLU 95 -6.216 5.162 16.784 775 HA GLU 95 HA GLU 95 -8.471 4.985 18.585 776 HB2 GLU 95 2HB GLU 95 -8.322 6.291 15.833 777 HB3 GLU 95 1HB GLU 95 -9.547 6.585 17.060 778 HG2 GLU 95 2HG GLU 95 -6.607 7.300 17.278 779 HG3 GLU 95 1HG GLU 95 -7.916 8.418 16.923 780 H ARG 96 H ARG 96 -7.511 3.547 15.517 781 HA ARG 96 HA ARG 96 -10.073 2.641 14.660 782 HB2 ARG 96 2HB ARG 96 -7.274 1.799 13.817 783 HB3 ARG 96 1HB ARG 96 -8.737 1.222 13.025 784 HG2 ARG 96 2HG ARG 96 -7.804 4.106 13.165 785 HG3 ARG 96 1HG ARG 96 -7.708 3.055 11.755 786 HD2 ARG 96 2HD ARG 96 -10.115 3.008 11.539 787 HD3 ARG 96 1HD ARG 96 -10.329 3.806 13.098 788 HE ARG 96 HE ARG 96 -8.903 5.295 11.028 789 HH11 ARG 96 1HH1 ARG 96 -11.945 4.810 12.758 790 HH12 ARG 96 2HH1 ARG 96 -12.598 6.341 12.262 791 HH21 ARG 96 1HH2 ARG 96 -9.793 7.312 10.418 792 HH22 ARG 96 2HH2 ARG 96 -11.388 7.743 10.951 793 H ALA 97 H ALA 97 -7.578 1.173 16.694 794 HA ALA 97 HA ALA 97 -8.901 -1.400 16.888 795 HB1 ALA 97 3HB ALA 97 -6.477 -1.230 17.262 796 HB2 ALA 97 1HB ALA 97 -7.287 -1.897 18.680 797 HB3 ALA 97 2HB ALA 97 -6.748 -0.212 18.676 798 H SER 98 H SER 98 -9.030 1.671 18.527 799 HA SER 98 HA SER 98 -10.084 0.731 21.004 800 HB2 SER 98 2HB SER 98 -8.717 2.779 20.886 801 HB3 SER 98 1HB SER 98 -9.920 3.555 19.857 802 HG SER 98 HG SER 98 -10.885 4.159 21.609 803 H GLU 99 H GLU 99 -11.552 1.779 18.010 804 HA GLU 99 HA GLU 99 -14.101 2.556 18.936 805 HB2 GLU 99 2HB GLU 99 -13.263 1.400 16.251 806 HB3 GLU 99 1HB GLU 99 -14.851 2.098 16.568 807 HG2 GLU 99 2HG GLU 99 -13.855 4.285 16.998 808 HG3 GLU 99 1HG GLU 99 -12.235 3.610 16.828 809 H TRP 100 H TRP 100 -12.961 -0.663 17.809 810 HA TRP 100 HA TRP 100 -15.547 -1.880 18.355 811 HB2 TRP 100 2HB TRP 100 -14.564 -3.968 17.489 812 HB3 TRP 100 1HB TRP 100 -14.306 -2.626 16.388 813 HD1 TRP 100 HD1 TRP 100 -11.747 -1.695 16.157 814 HE1 TRP 100 HE1 TRP 100 -9.511 -2.910 16.474 815 HE3 TRP 100 HE3 TRP 100 -13.355 -5.675 18.945 816 HZ2 TRP 100 HZ2 TRP 100 -8.534 -5.209 17.752 817 HZ3 TRP 100 HZ3 TRP 100 -11.695 -7.331 19.689 818 HH2 TRP 100 HH2 TRP 100 -9.334 -7.103 19.104 819 H ILE 101 H ILE 101 -12.844 -1.157 20.214 820 HA ILE 101 HA ILE 101 -13.093 -3.207 22.205 821 HB ILE 101 HB ILE 101 -11.463 -0.762 21.806 822 HG12 ILE 101 2HG1 ILE 101 -9.706 -2.094 22.931 823 HG13 ILE 101 1HG1 ILE 101 -10.901 -3.296 23.408 824 HG21 ILE 101 1HG2 ILE 101 -12.180 -1.365 24.689 825 HG22 ILE 101 2HG2 ILE 101 -12.584 0.102 23.795 826 HG23 ILE 101 3HG2 ILE 101 -10.898 -0.278 24.147 827 HD11 ILE 101 3HD1 ILE 101 -9.631 -4.096 21.532 828 HD12 ILE 101 1HD1 ILE 101 -10.009 -2.648 20.600 829 HD13 ILE 101 2HD1 ILE 101 -11.287 -3.793 21.003 830 H ILE 102 H ILE 102 -14.804 -0.263 21.490 831 HA ILE 102 HA ILE 102 -16.740 0.632 22.193 832 HB ILE 102 HB ILE 102 -17.178 -1.826 23.966 833 HG12 ILE 102 2HG1 ILE 102 -16.849 -2.604 21.652 834 HG13 ILE 102 1HG1 ILE 102 -18.541 -2.764 22.094 835 HG21 ILE 102 1HG2 ILE 102 -18.668 0.053 24.533 836 HG22 ILE 102 2HG2 ILE 102 -19.583 -1.250 23.778 837 HG23 ILE 102 3HG2 ILE 102 -19.178 0.189 22.843 838 HD11 ILE 102 3HD1 ILE 102 -18.322 -1.998 19.821 839 HD12 ILE 102 1HD1 ILE 102 -17.344 -0.625 20.336 840 HD13 ILE 102 2HD1 ILE 102 -19.045 -0.723 20.799 841 H LEU 103 H LEU 103 -16.178 2.431 23.273 842 HA LEU 103 HA LEU 103 -14.874 2.398 25.852 843 HB2 LEU 103 2HB LEU 103 -15.841 4.677 24.075 844 HB3 LEU 103 1HB LEU 103 -15.099 4.945 25.642 845 HG LEU 103 HG LEU 103 -13.008 3.750 24.750 846 HD11 LEU 103 1HD1 LEU 103 -12.700 3.594 22.332 847 HD12 LEU 103 2HD1 LEU 103 -14.381 4.066 22.071 848 HD13 LEU 103 3HD1 LEU 103 -14.007 2.545 22.882 849 HD21 LEU 103 3HD2 LEU 103 -13.826 6.317 23.339 850 HD22 LEU 103 1HD2 LEU 103 -12.175 5.726 23.557 851 HD23 LEU 103 2HD2 LEU 103 -13.130 6.201 24.958 852 H GLU 104 H GLU 104 -18.101 2.356 24.829 853 HA GLU 104 HA GLU 104 -19.343 3.962 26.835 854 HB2 GLU 104 2HB GLU 104 -20.571 1.858 24.982 855 HB3 GLU 104 1HB GLU 104 -21.471 3.022 25.947 856 HG2 GLU 104 2HG GLU 104 -21.489 3.846 23.715 857 HG3 GLU 104 1HG GLU 104 -20.371 4.869 24.605 Start of MODEL 14 1 H1 MET 1 1H MET 1 -11.450 -1.266 1.644 2 H2 MET 1 2H MET 1 -12.536 -0.947 0.386 3 H3 MET 1 3H MET 1 -11.772 0.327 1.195 4 HA MET 1 HA MET 1 -10.821 -0.066 -0.974 5 HB2 MET 1 2HB MET 1 -9.399 0.871 0.851 6 HB3 MET 1 1HB MET 1 -8.937 -0.757 1.334 7 HG2 MET 1 2HG MET 1 -7.860 -1.078 -0.897 8 HG3 MET 1 1HG MET 1 -8.255 0.591 -1.306 9 HE1 MET 1 3HE MET 1 -5.999 2.576 1.236 10 HE2 MET 1 1HE MET 1 -7.706 2.161 1.399 11 HE3 MET 1 2HE MET 1 -7.074 2.712 -0.155 12 H THR 2 H THR 2 -11.201 -1.734 -2.363 13 HA THR 2 HA THR 2 -10.286 -4.466 -1.842 14 HB THR 2 HB THR 2 -11.152 -4.858 -4.220 15 HG1 THR 2 HG1 THR 2 -12.729 -2.854 -4.624 16 HG21 THR 2 3HG2 THR 2 -12.589 -5.334 -2.265 17 HG22 THR 2 1HG2 THR 2 -13.535 -4.744 -3.630 18 HG23 THR 2 2HG2 THR 2 -13.168 -3.666 -2.281 19 H GLY 3 H GLY 3 -9.139 -5.430 -3.954 20 HA2 GLY 3 2HA GLY 3 -6.584 -4.256 -4.319 21 HA3 GLY 3 1HA GLY 3 -7.279 -5.558 -5.270 22 H GLN 4 H GLN 4 -9.603 -3.961 -6.020 23 HA GLN 4 HA GLN 4 -8.744 -2.582 -8.344 24 HB2 GLN 4 2HB GLN 4 -10.972 -3.639 -8.170 25 HB3 GLN 4 1HB GLN 4 -11.420 -2.550 -6.865 26 HG2 GLN 4 2HG GLN 4 -12.491 -1.841 -8.917 27 HG3 GLN 4 1HG GLN 4 -11.306 -0.634 -8.431 28 HE21 GLN 4 1HE2 GLN 4 -10.510 -3.675 -10.085 29 HE22 GLN 4 2HE2 GLN 4 -10.005 -2.934 -11.559 30 H GLU 5 H GLU 5 -10.114 -1.434 -5.238 31 HA GLU 5 HA GLU 5 -9.995 1.335 -5.689 32 HB2 GLU 5 2HB GLU 5 -9.849 -0.243 -3.092 33 HB3 GLU 5 1HB GLU 5 -10.078 1.504 -3.164 34 HG2 GLU 5 2HG GLU 5 -11.984 -0.529 -4.369 35 HG3 GLU 5 1HG GLU 5 -12.166 0.186 -2.767 36 H LEU 6 H LEU 6 -7.635 -0.866 -4.202 37 HA LEU 6 HA LEU 6 -5.755 1.092 -3.369 38 HB2 LEU 6 2HB LEU 6 -5.936 -1.200 -2.401 39 HB3 LEU 6 1HB LEU 6 -5.354 -1.876 -3.911 40 HG LEU 6 HG LEU 6 -3.142 -0.843 -3.578 41 HD11 LEU 6 1HD1 LEU 6 -3.775 1.216 -2.424 42 HD12 LEU 6 2HD1 LEU 6 -2.539 0.347 -1.521 43 HD13 LEU 6 3HD1 LEU 6 -4.220 0.298 -0.981 44 HD21 LEU 6 3HD2 LEU 6 -2.398 -2.137 -1.632 45 HD22 LEU 6 1HD2 LEU 6 -3.509 -3.060 -2.637 46 HD23 LEU 6 2HD2 LEU 6 -4.074 -2.354 -1.119 47 H ARG 7 H ARG 7 -5.985 -1.005 -6.253 48 HA ARG 7 HA ARG 7 -3.669 -0.250 -7.641 49 HB2 ARG 7 2HB ARG 7 -5.240 -2.138 -8.229 50 HB3 ARG 7 1HB ARG 7 -6.397 -0.958 -8.826 51 HG2 ARG 7 2HG ARG 7 -4.842 -0.297 -10.613 52 HG3 ARG 7 1HG ARG 7 -3.608 -1.390 -9.972 53 HD2 ARG 7 2HD ARG 7 -5.049 -3.328 -10.450 54 HD3 ARG 7 1HD ARG 7 -6.335 -2.259 -11.013 55 HE ARG 7 HE ARG 7 -3.727 -2.257 -12.389 56 HH11 ARG 7 1HH1 ARG 7 -7.187 -2.919 -12.524 57 HH12 ARG 7 2HH1 ARG 7 -7.198 -3.137 -14.244 58 HH21 ARG 7 1HH2 ARG 7 -3.766 -2.592 -14.645 59 HH22 ARG 7 2HH2 ARG 7 -5.266 -2.951 -15.434 60 H GLN 8 H GLN 8 -6.940 1.115 -7.714 61 HA GLN 8 HA GLN 8 -6.483 3.153 -9.631 62 HB2 GLN 8 2HB GLN 8 -8.687 2.751 -7.571 63 HB3 GLN 8 1HB GLN 8 -8.714 4.052 -8.759 64 HG2 GLN 8 2HG GLN 8 -8.606 1.097 -9.454 65 HG3 GLN 8 1HG GLN 8 -10.089 2.052 -9.388 66 HE21 GLN 8 1HE2 GLN 8 -7.048 1.602 -11.087 67 HE22 GLN 8 2HE2 GLN 8 -7.523 2.405 -12.541 68 H LEU 9 H LEU 9 -5.996 2.992 -6.162 69 HA LEU 9 HA LEU 9 -5.767 5.811 -5.700 70 HB2 LEU 9 2HB LEU 9 -6.237 4.218 -3.872 71 HB3 LEU 9 1HB LEU 9 -4.682 3.451 -4.119 72 HG LEU 9 HG LEU 9 -3.506 5.465 -3.303 73 HD11 LEU 9 1HD1 LEU 9 -4.689 7.394 -2.351 74 HD12 LEU 9 2HD1 LEU 9 -6.235 6.722 -2.883 75 HD13 LEU 9 3HD1 LEU 9 -5.029 7.217 -4.073 76 HD21 LEU 9 3HD2 LEU 9 -4.169 5.370 -0.949 77 HD22 LEU 9 1HD2 LEU 9 -4.158 3.762 -1.666 78 HD23 LEU 9 2HD2 LEU 9 -5.694 4.591 -1.391 79 H LEU 10 H LEU 10 -3.466 3.192 -6.466 80 HA LEU 10 HA LEU 10 -1.077 4.760 -6.302 81 HB2 LEU 10 2HB LEU 10 -1.513 2.202 -7.902 82 HB3 LEU 10 1HB LEU 10 0.030 2.841 -7.354 83 HG LEU 10 HG LEU 10 -2.167 1.764 -5.549 84 HD11 LEU 10 1HD1 LEU 10 0.459 0.471 -6.310 85 HD12 LEU 10 2HD1 LEU 10 -1.152 -0.029 -6.832 86 HD13 LEU 10 3HD1 LEU 10 -0.711 -0.144 -5.132 87 HD21 LEU 10 3HD2 LEU 10 -0.530 1.920 -3.726 88 HD22 LEU 10 1HD2 LEU 10 -0.908 3.498 -4.408 89 HD23 LEU 10 2HD2 LEU 10 0.619 2.706 -4.817 90 H LEU 11 H LEU 11 -3.401 4.098 -8.845 91 HA LEU 11 HA LEU 11 -1.811 5.099 -11.046 92 HB2 LEU 11 2HB LEU 11 -4.744 4.321 -10.839 93 HB3 LEU 11 1HB LEU 11 -3.963 4.794 -12.342 94 HG LEU 11 HG LEU 11 -3.216 2.358 -10.675 95 HD11 LEU 11 1HD1 LEU 11 -5.391 2.055 -11.726 96 HD12 LEU 11 2HD1 LEU 11 -4.180 1.019 -12.475 97 HD13 LEU 11 3HD1 LEU 11 -4.717 2.485 -13.301 98 HD21 LEU 11 3HD2 LEU 11 -2.174 3.276 -13.372 99 HD22 LEU 11 1HD2 LEU 11 -1.791 1.742 -12.578 100 HD23 LEU 11 2HD2 LEU 11 -1.282 3.259 -11.847 101 H ASP 12 H ASP 12 -4.550 6.268 -9.120 102 HA ASP 12 HA ASP 12 -4.938 8.744 -10.501 103 HB2 ASP 12 2HB ASP 12 -6.737 7.782 -9.178 104 HB3 ASP 12 1HB ASP 12 -5.747 7.799 -7.725 105 H LYS 13 H LYS 13 -2.939 7.744 -7.785 106 HA LYS 13 HA LYS 13 -2.169 10.431 -7.016 107 HB2 LYS 13 2HB LYS 13 -2.442 8.748 -5.276 108 HB3 LYS 13 1HB LYS 13 -1.292 7.682 -6.069 109 HG2 LYS 13 2HG LYS 13 -0.234 8.673 -4.152 110 HG3 LYS 13 1HG LYS 13 0.521 9.307 -5.616 111 HD2 LYS 13 2HD LYS 13 -0.856 11.385 -5.390 112 HD3 LYS 13 1HD LYS 13 -1.537 10.740 -3.890 113 HE2 LYS 13 2HE LYS 13 0.793 10.642 -2.953 114 HE3 LYS 13 1HE LYS 13 1.367 11.440 -4.421 115 HZ1 LYS 13 3HZ LYS 13 -0.055 13.311 -3.915 116 HZ2 LYS 13 1HZ LYS 13 0.998 13.006 -2.626 117 HZ3 LYS 13 2HZ LYS 13 -0.621 12.539 -2.519 118 H TRP 14 H TRP 14 -0.244 7.565 -8.083 119 HA TRP 14 HA TRP 14 1.975 9.403 -8.799 120 HB2 TRP 14 2HB TRP 14 2.016 6.454 -8.061 121 HB3 TRP 14 1HB TRP 14 3.436 7.381 -8.528 122 HD1 TRP 14 HD1 TRP 14 3.498 9.843 -6.820 123 HE1 TRP 14 HE1 TRP 14 3.628 9.772 -4.254 124 HE3 TRP 14 HE3 TRP 14 1.582 5.163 -6.016 125 HZ2 TRP 14 HZ2 TRP 14 3.009 8.009 -2.168 126 HZ3 TRP 14 HZ3 TRP 14 1.390 4.367 -3.689 127 HH2 TRP 14 HH2 TRP 14 2.085 5.759 -1.806 128 H GLY 15 H GLY 15 -0.242 7.127 -10.181 129 HA2 GLY 15 2HA GLY 15 -0.758 6.966 -12.444 130 HA3 GLY 15 1HA GLY 15 0.743 7.774 -12.853 131 H TYR 16 H TYR 16 1.080 5.105 -10.704 132 HA TYR 16 HA TYR 16 1.525 3.140 -12.848 133 HB2 TYR 16 2HB TYR 16 3.664 3.859 -10.797 134 HB3 TYR 16 1HB TYR 16 3.729 2.451 -11.844 135 HD1 TYR 16 HD1 TYR 16 3.871 2.813 -14.370 136 HD2 TYR 16 HD2 TYR 16 4.483 5.981 -11.564 137 HE1 TYR 16 HE1 TYR 16 5.006 4.133 -16.095 138 HE2 TYR 16 HE2 TYR 16 5.622 7.299 -13.296 139 HH TYR 16 HH TYR 16 5.494 6.483 -16.597 140 H SER 17 H SER 17 1.502 1.001 -12.146 141 HA SER 17 HA SER 17 -0.086 0.500 -9.755 142 HB2 SER 17 2HB SER 17 -0.229 -1.818 -10.819 143 HB3 SER 17 1HB SER 17 -0.862 -0.508 -11.816 144 HG SER 17 HG SER 17 0.442 -1.413 -13.235 145 H TYR 18 H TYR 18 1.668 0.936 -8.207 146 HA TYR 18 HA TYR 18 4.121 -0.587 -8.250 147 HB2 TYR 18 2HB TYR 18 2.933 1.165 -6.063 148 HB3 TYR 18 1HB TYR 18 4.573 0.514 -6.059 149 HD1 TYR 18 HD1 TYR 18 6.186 1.254 -7.899 150 HD2 TYR 18 HD2 TYR 18 2.445 3.189 -7.193 151 HE1 TYR 18 HE1 TYR 18 6.997 3.244 -9.081 152 HE2 TYR 18 HE2 TYR 18 3.251 5.156 -8.380 153 HH TYR 18 HH TYR 18 6.014 5.166 -10.304 154 H ASP 19 H ASP 19 4.792 -2.169 -6.816 155 HA ASP 19 HA ASP 19 2.882 -3.876 -5.526 156 HB2 ASP 19 2HB ASP 19 5.021 -4.780 -6.390 157 HB3 ASP 19 1HB ASP 19 5.929 -3.743 -5.296 158 H VAL 20 H VAL 20 2.498 -4.055 -3.292 159 HA VAL 20 HA VAL 20 3.577 -1.960 -1.494 160 HB VAL 20 HB VAL 20 1.219 -1.802 -0.458 161 HG11 VAL 20 1HG1 VAL 20 1.518 -0.768 -3.306 162 HG12 VAL 20 2HG1 VAL 20 2.113 0.022 -1.846 163 HG13 VAL 20 3HG1 VAL 20 0.377 -0.157 -2.101 164 HG21 VAL 20 3HG2 VAL 20 0.235 -3.834 -1.452 165 HG22 VAL 20 1HG2 VAL 20 0.378 -3.137 -3.069 166 HG23 VAL 20 2HG2 VAL 20 -0.715 -2.415 -1.886 167 H GLN 21 H GLN 21 4.306 -2.817 0.393 168 HA GLN 21 HA GLN 21 3.461 -5.550 1.198 169 HB2 GLN 21 2HB GLN 21 6.313 -4.481 0.964 170 HB3 GLN 21 1HB GLN 21 5.915 -5.917 1.909 171 HG2 GLN 21 2HG GLN 21 5.069 -7.025 -0.123 172 HG3 GLN 21 1HG GLN 21 5.456 -5.591 -1.078 173 HE21 GLN 21 1HE2 GLN 21 7.631 -5.144 -1.553 174 HE22 GLN 21 2HE2 GLN 21 8.889 -6.306 -1.326 175 H PHE 22 H PHE 22 3.193 -5.868 3.322 176 HA PHE 22 HA PHE 22 3.166 -3.687 5.192 177 HB2 PHE 22 2HB PHE 22 2.681 -6.682 5.488 178 HB3 PHE 22 1HB PHE 22 2.552 -5.560 6.835 179 HD1 PHE 22 HD1 PHE 22 0.937 -3.508 6.475 180 HD2 PHE 22 HD2 PHE 22 0.742 -7.135 4.206 181 HE1 PHE 22 HE1 PHE 22 -1.402 -3.033 5.912 182 HE2 PHE 22 HE2 PHE 22 -1.590 -6.642 3.647 183 HZ PHE 22 HZ PHE 22 -2.664 -4.593 4.489 184 H ARG 23 H ARG 23 4.461 -3.452 7.040 185 HA ARG 23 HA ARG 23 6.834 -5.141 7.377 186 HB2 ARG 23 2HB ARG 23 7.445 -3.139 5.920 187 HB3 ARG 23 1HB ARG 23 7.050 -2.094 7.279 188 HG2 ARG 23 2HG ARG 23 9.454 -2.443 7.210 189 HG3 ARG 23 1HG ARG 23 8.805 -3.247 8.637 190 HD2 ARG 23 2HD ARG 23 8.820 -5.409 7.370 191 HD3 ARG 23 1HD ARG 23 9.573 -4.570 6.010 192 HE ARG 23 HE ARG 23 11.298 -4.033 7.996 193 HH11 ARG 23 1HH1 ARG 23 9.842 -7.092 7.000 194 HH12 ARG 23 2HH1 ARG 23 11.197 -8.040 7.525 195 HH21 ARG 23 1HH2 ARG 23 13.069 -5.312 8.660 196 HH22 ARG 23 2HH2 ARG 23 13.013 -7.035 8.459 197 H ARG 24 H ARG 24 6.729 -5.804 9.393 198 HA ARG 24 HA ARG 24 5.444 -4.167 11.498 199 HB2 ARG 24 2HB ARG 24 5.952 -7.167 11.280 200 HB3 ARG 24 1HB ARG 24 5.348 -6.394 12.746 201 HG2 ARG 24 2HG ARG 24 3.343 -5.645 11.581 202 HG3 ARG 24 1HG ARG 24 3.954 -6.279 10.051 203 HD2 ARG 24 2HD ARG 24 3.362 -7.996 12.483 204 HD3 ARG 24 1HD ARG 24 2.213 -7.706 11.172 205 HE ARG 24 HE ARG 24 4.691 -8.681 10.159 206 HH11 ARG 24 1HH1 ARG 24 1.770 -9.792 11.812 207 HH12 ARG 24 2HH1 ARG 24 1.900 -11.408 11.192 208 HH21 ARG 24 1HH2 ARG 24 4.814 -10.806 9.360 209 HH22 ARG 24 2HH2 ARG 24 3.621 -11.970 9.814 210 H THR 25 H THR 25 6.935 -2.936 12.446 211 HA THR 25 HA THR 25 9.229 -4.199 13.765 212 HB THR 25 HB THR 25 10.265 -3.405 11.728 213 HG1 THR 25 HG1 THR 25 11.075 -1.314 13.388 214 HG21 THR 25 3HG2 THR 25 8.614 -1.722 10.991 215 HG22 THR 25 1HG2 THR 25 10.249 -1.049 11.000 216 HG23 THR 25 2HG2 THR 25 9.122 -0.647 12.296 217 H GLN 26 H GLN 26 9.607 -3.421 15.726 218 HA GLN 26 HA GLN 26 9.417 -2.369 17.704 219 HB2 GLN 26 2HB GLN 26 8.753 0.124 16.072 220 HB3 GLN 26 1HB GLN 26 9.298 0.102 17.749 221 HG2 GLN 26 2HG GLN 26 10.914 -0.732 15.309 222 HG3 GLN 26 1HG GLN 26 11.131 0.730 16.272 223 HE21 GLN 26 1HE2 GLN 26 11.618 -2.733 16.171 224 HE22 GLN 26 2HE2 GLN 26 12.700 -2.822 17.512 225 H GLY 27 H GLY 27 7.084 -3.638 16.445 226 HA2 GLY 27 2HA GLY 27 5.014 -4.217 17.287 227 HA3 GLY 27 1HA GLY 27 5.076 -2.858 18.395 228 H LYS 28 H LYS 28 5.819 -1.659 15.419 229 HA LYS 28 HA LYS 28 3.091 -0.649 14.920 230 HB2 LYS 28 2HB LYS 28 5.812 0.268 13.871 231 HB3 LYS 28 1HB LYS 28 4.272 1.059 13.534 232 HG2 LYS 28 2HG LYS 28 4.036 1.763 15.824 233 HG3 LYS 28 1HG LYS 28 5.419 0.779 16.333 234 HD2 LYS 28 2HD LYS 28 6.954 2.151 15.088 235 HD3 LYS 28 1HD LYS 28 5.643 3.053 14.319 236 HE2 LYS 28 2HE LYS 28 6.673 4.397 16.056 237 HE3 LYS 28 1HE LYS 28 5.031 3.991 16.540 238 HZ1 LYS 28 3HZ LYS 28 7.540 2.731 17.507 239 HZ2 LYS 28 1HZ LYS 28 5.989 2.200 17.918 240 HZ3 LYS 28 2HZ LYS 28 6.509 3.734 18.393 241 H ILE 29 H ILE 29 2.625 -0.282 12.569 242 HA ILE 29 HA ILE 29 3.694 -2.363 10.774 243 HB ILE 29 HB ILE 29 1.585 -3.254 11.580 244 HG12 ILE 29 2HG1 ILE 29 0.278 -3.467 9.449 245 HG13 ILE 29 1HG1 ILE 29 1.216 -2.148 8.751 246 HG21 ILE 29 1HG2 ILE 29 0.290 -0.634 10.798 247 HG22 ILE 29 2HG2 ILE 29 0.524 -1.247 12.433 248 HG23 ILE 29 3HG2 ILE 29 -0.579 -2.073 11.332 249 HD11 ILE 29 3HD1 ILE 29 3.244 -3.504 8.937 250 HD12 ILE 29 1HD1 ILE 29 1.997 -4.306 7.991 251 HD13 ILE 29 2HD1 ILE 29 2.299 -4.817 9.648 252 H PHE 30 H PHE 30 4.180 -1.645 8.808 253 HA PHE 30 HA PHE 30 3.436 1.078 7.928 254 HB2 PHE 30 2HB PHE 30 6.184 -0.257 7.721 255 HB3 PHE 30 1HB PHE 30 5.762 1.297 7.013 256 HD1 PHE 30 HD1 PHE 30 5.431 3.291 8.451 257 HD2 PHE 30 HD2 PHE 30 6.649 -0.457 10.133 258 HE1 PHE 30 HE1 PHE 30 6.124 4.431 10.515 259 HE2 PHE 30 HE2 PHE 30 7.334 0.700 12.191 260 HZ PHE 30 HZ PHE 30 7.074 3.144 12.384 261 H LEU 31 H LEU 31 2.502 1.003 5.918 262 HA LEU 31 HA LEU 31 2.881 -1.341 4.201 263 HB2 LEU 31 2HB LEU 31 0.577 -0.406 4.517 264 HB3 LEU 31 1HB LEU 31 1.105 1.096 3.774 265 HG LEU 31 HG LEU 31 1.593 -0.155 1.643 266 HD11 LEU 31 1HD1 LEU 31 2.039 -2.357 2.573 267 HD12 LEU 31 2HD1 LEU 31 0.771 -2.452 1.358 268 HD13 LEU 31 3HD1 LEU 31 0.352 -2.524 3.073 269 HD21 LEU 31 3HD2 LEU 31 -1.266 -0.450 2.613 270 HD22 LEU 31 1HD2 LEU 31 -0.725 -0.475 0.930 271 HD23 LEU 31 2HD2 LEU 31 -0.552 0.993 1.888 272 H GLN 32 H GLN 32 4.890 -1.180 3.355 273 HA GLN 32 HA GLN 32 6.004 1.307 2.358 274 HB2 GLN 32 2HB GLN 32 7.124 -1.528 2.405 275 HB3 GLN 32 1HB GLN 32 8.021 -0.092 1.907 276 HG2 GLN 32 2HG GLN 32 7.739 0.848 4.194 277 HG3 GLN 32 1HG GLN 32 6.905 -0.629 4.683 278 HE21 GLN 32 1HE2 GLN 32 9.404 0.568 5.691 279 HE22 GLN 32 2HE2 GLN 32 10.614 -0.651 5.509 280 H VAL 33 H VAL 33 5.197 1.959 0.483 281 HA VAL 33 HA VAL 33 4.406 0.236 -1.677 282 HB VAL 33 HB VAL 33 4.851 3.260 -1.778 283 HG11 VAL 33 1HG1 VAL 33 3.163 1.436 -3.540 284 HG12 VAL 33 2HG1 VAL 33 4.686 2.202 -3.999 285 HG13 VAL 33 3HG1 VAL 33 3.266 3.196 -3.680 286 HG21 VAL 33 3HG2 VAL 33 2.432 3.521 -1.309 287 HG22 VAL 33 1HG2 VAL 33 3.266 2.746 0.041 288 HG23 VAL 33 2HG2 VAL 33 2.287 1.777 -1.064 289 H MET 34 H MET 34 5.880 -0.763 -2.844 290 HA MET 34 HA MET 34 8.635 -0.167 -3.034 291 HB2 MET 34 2HB MET 34 6.949 -1.984 -4.816 292 HB3 MET 34 1HB MET 34 8.706 -2.011 -4.683 293 HG2 MET 34 2HG MET 34 6.859 -2.606 -2.359 294 HG3 MET 34 1HG MET 34 7.472 -3.837 -3.452 295 HE1 MET 34 3HE MET 34 8.723 -0.953 -0.957 296 HE2 MET 34 1HE MET 34 9.684 -2.006 0.074 297 HE3 MET 34 2HE MET 34 7.951 -2.296 -0.112 298 H TRP 35 H TRP 35 9.820 0.372 -4.862 299 HA TRP 35 HA TRP 35 8.811 2.421 -6.606 300 HB2 TRP 35 2HB TRP 35 11.224 2.338 -7.519 301 HB3 TRP 35 1HB TRP 35 11.038 2.755 -5.822 302 HD1 TRP 35 HD1 TRP 35 12.608 0.105 -8.066 303 HE1 TRP 35 HE1 TRP 35 13.987 -1.518 -6.624 304 HE3 TRP 35 HE3 TRP 35 11.103 1.641 -3.418 305 HZ2 TRP 35 HZ2 TRP 35 14.360 -2.094 -3.885 306 HZ3 TRP 35 HZ3 TRP 35 12.014 0.494 -1.438 307 HH2 TRP 35 HH2 TRP 35 13.617 -1.341 -1.672 308 H LYS 36 H LYS 36 9.045 -0.968 -6.778 309 HA LYS 36 HA LYS 36 9.152 -1.180 -9.670 310 HB2 LYS 36 2HB LYS 36 8.709 -3.301 -7.513 311 HB3 LYS 36 1HB LYS 36 8.905 -3.632 -9.238 312 HG2 LYS 36 2HG LYS 36 11.160 -2.656 -9.198 313 HG3 LYS 36 1HG LYS 36 10.978 -2.278 -7.480 314 HD2 LYS 36 2HD LYS 36 10.851 -4.681 -6.946 315 HD3 LYS 36 1HD LYS 36 10.962 -5.092 -8.663 316 HE2 LYS 36 2HE LYS 36 13.210 -4.119 -8.765 317 HE3 LYS 36 1HE LYS 36 13.091 -3.613 -7.077 318 HZ1 LYS 36 3HZ LYS 36 13.091 -6.413 -8.057 319 HZ2 LYS 36 1HZ LYS 36 12.956 -5.931 -6.440 320 HZ3 LYS 36 2HZ LYS 36 14.379 -5.616 -7.299 321 H TYR 37 H TYR 37 7.497 -1.530 -10.983 322 HA TYR 37 HA TYR 37 4.740 -1.708 -9.956 323 HB2 TYR 37 2HB TYR 37 4.095 -0.032 -11.812 324 HB3 TYR 37 1HB TYR 37 4.863 0.621 -10.379 325 HD1 TYR 37 HD1 TYR 37 7.191 1.512 -10.484 326 HD2 TYR 37 HD2 TYR 37 5.237 0.071 -13.993 327 HE1 TYR 37 HE1 TYR 37 8.871 2.625 -11.878 328 HE2 TYR 37 HE2 TYR 37 6.920 1.186 -15.387 329 HH TYR 37 HH TYR 37 8.512 3.064 -15.216 330 H LEU 38 H LEU 38 3.200 -2.414 -11.607 331 HA LEU 38 HA LEU 38 4.072 -4.892 -12.630 332 HB2 LEU 38 2HB LEU 38 1.792 -4.445 -11.750 333 HB3 LEU 38 1HB LEU 38 1.464 -3.410 -13.128 334 HG LEU 38 HG LEU 38 1.713 -5.445 -14.629 335 HD11 LEU 38 1HD1 LEU 38 1.574 -7.688 -13.643 336 HD12 LEU 38 2HD1 LEU 38 1.755 -6.997 -12.027 337 HD13 LEU 38 3HD1 LEU 38 3.071 -6.871 -13.199 338 HD21 LEU 38 3HD2 LEU 38 -0.489 -4.597 -13.976 339 HD22 LEU 38 1HD2 LEU 38 -0.472 -5.622 -12.538 340 HD23 LEU 38 2HD2 LEU 38 -0.497 -6.349 -14.145 341 H GLU 39 H GLU 39 3.966 -1.775 -14.119 342 HA GLU 39 HA GLU 39 3.689 -2.546 -16.849 343 HB2 GLU 39 2HB GLU 39 5.050 -0.000 -15.893 344 HB3 GLU 39 1HB GLU 39 4.189 -0.270 -17.405 345 HG2 GLU 39 2HG GLU 39 2.997 -0.021 -14.624 346 HG3 GLU 39 1HG GLU 39 2.839 1.113 -15.964 347 H GLN 40 H GLN 40 6.322 -2.757 -14.679 348 HA GLN 40 HA GLN 40 8.469 -2.840 -16.635 349 HB2 GLN 40 2HB GLN 40 8.409 -3.754 -13.711 350 HB3 GLN 40 1HB GLN 40 9.858 -3.599 -14.707 351 HG2 GLN 40 2HG GLN 40 9.566 -1.186 -14.835 352 HG3 GLN 40 1HG GLN 40 8.034 -1.286 -13.968 353 HE21 GLN 40 1HE2 GLN 40 10.425 0.223 -13.291 354 HE22 GLN 40 2HE2 GLN 40 10.909 -0.303 -11.717 355 H ALA 41 H ALA 41 9.082 -4.636 -17.749 356 HA ALA 41 HA ALA 41 7.604 -7.059 -17.744 357 HB1 ALA 41 3HB ALA 41 9.295 -7.882 -19.341 358 HB2 ALA 41 1HB ALA 41 10.341 -6.512 -18.959 359 HB3 ALA 41 2HB ALA 41 8.788 -6.242 -19.752 360 H SER 42 H SER 42 10.322 -5.989 -15.891 361 HA SER 42 HA SER 42 11.142 -8.668 -15.013 362 HB2 SER 42 2HB SER 42 12.276 -5.918 -14.327 363 HB3 SER 42 1HB SER 42 13.011 -7.479 -13.949 364 HG SER 42 HG SER 42 12.678 -7.654 -16.448 365 H PHE 43 H PHE 43 8.517 -7.133 -14.213 366 HA PHE 43 HA PHE 43 8.679 -6.837 -11.375 367 HB2 PHE 43 2HB PHE 43 6.955 -5.748 -12.971 368 HB3 PHE 43 1HB PHE 43 6.138 -7.308 -13.008 369 HD1 PHE 43 HD1 PHE 43 7.471 -4.804 -10.557 370 HD2 PHE 43 HD2 PHE 43 4.420 -7.678 -11.409 371 HE1 PHE 43 HE1 PHE 43 6.305 -4.192 -8.498 372 HE2 PHE 43 HE2 PHE 43 3.266 -7.051 -9.349 373 HZ PHE 43 HZ PHE 43 4.203 -5.308 -7.888 374 HA PRO 44 HA PRO 44 9.003 -11.202 -10.499 375 HB2 PRO 44 2HB PRO 44 8.200 -11.292 -7.838 376 HB3 PRO 44 1HB PRO 44 9.760 -10.631 -8.372 377 HG2 PRO 44 2HG PRO 44 7.216 -9.147 -7.733 378 HG3 PRO 44 1HG PRO 44 8.887 -8.790 -7.226 379 HD2 PRO 44 2HD PRO 44 7.765 -7.457 -9.278 380 HD3 PRO 44 1HD PRO 44 9.485 -7.909 -9.318 381 H MET 45 H MET 45 5.892 -9.707 -9.704 382 HA MET 45 HA MET 45 4.471 -12.293 -9.897 383 HB2 MET 45 2HB MET 45 3.477 -9.568 -8.944 384 HB3 MET 45 1HB MET 45 2.556 -11.067 -8.897 385 HG2 MET 45 2HG MET 45 4.142 -11.996 -7.262 386 HG3 MET 45 1HG MET 45 5.092 -10.510 -7.323 387 HE1 MET 45 3HE MET 45 2.559 -7.908 -5.803 388 HE2 MET 45 1HE MET 45 2.738 -8.305 -7.512 389 HE3 MET 45 2HE MET 45 4.167 -8.140 -6.490 390 H ASN 46 H ASN 46 2.952 -12.636 -11.505 391 HA ASN 46 HA ASN 46 2.833 -10.850 -13.786 392 HB2 ASN 46 2HB ASN 46 1.352 -13.443 -13.165 393 HB3 ASN 46 1HB ASN 46 1.114 -12.521 -14.648 394 HD21 ASN 46 1HD2 ASN 46 3.254 -14.661 -12.939 395 HD22 ASN 46 2HD2 ASN 46 4.381 -14.878 -14.221 396 H GLU 47 H GLU 47 0.426 -10.489 -14.680 397 HA GLU 47 HA GLU 47 -0.550 -8.353 -13.162 398 HB2 GLU 47 2HB GLU 47 -0.832 -8.528 -15.604 399 HB3 GLU 47 1HB GLU 47 -1.942 -9.878 -15.388 400 HG2 GLU 47 2HG GLU 47 -3.559 -8.416 -14.260 401 HG3 GLU 47 1HG GLU 47 -2.449 -7.054 -14.379 402 H THR 48 H THR 48 -1.798 -11.680 -13.422 403 HA THR 48 HA THR 48 -4.176 -11.340 -11.933 404 HB THR 48 HB THR 48 -2.554 -13.913 -12.252 405 HG1 THR 48 HG1 THR 48 -3.720 -12.440 -14.125 406 HG21 THR 48 3HG2 THR 48 -5.534 -13.507 -11.753 407 HG22 THR 48 1HG2 THR 48 -4.364 -14.086 -10.553 408 HG23 THR 48 2HG2 THR 48 -4.728 -15.060 -11.975 409 H GLU 49 H GLU 49 -0.946 -12.542 -11.024 410 HA GLU 49 HA GLU 49 -1.433 -13.152 -8.310 411 HB2 GLU 49 2HB GLU 49 1.177 -12.411 -9.701 412 HB3 GLU 49 1HB GLU 49 1.057 -13.149 -8.100 413 HG2 GLU 49 2HG GLU 49 0.032 -15.149 -9.073 414 HG3 GLU 49 1HG GLU 49 0.092 -14.418 -10.682 415 H TYR 50 H TYR 50 -0.279 -10.233 -9.895 416 HA TYR 50 HA TYR 50 0.405 -8.751 -7.580 417 HB2 TYR 50 2HB TYR 50 1.471 -8.058 -9.600 418 HB3 TYR 50 1HB TYR 50 -0.047 -8.019 -10.494 419 HD1 TYR 50 HD1 TYR 50 1.670 -6.321 -7.599 420 HD2 TYR 50 HD2 TYR 50 -1.115 -5.951 -10.826 421 HE1 TYR 50 HE1 TYR 50 1.362 -3.948 -7.062 422 HE2 TYR 50 HE2 TYR 50 -1.409 -3.582 -10.298 423 HH TYR 50 HH TYR 50 0.546 -1.933 -7.971 424 H GLN 51 H GLN 51 -2.547 -8.988 -9.567 425 HA GLN 51 HA GLN 51 -3.966 -6.845 -8.320 426 HB2 GLN 51 2HB GLN 51 -4.424 -8.029 -10.625 427 HB3 GLN 51 1HB GLN 51 -5.320 -9.213 -9.684 428 HG2 GLN 51 2HG GLN 51 -5.929 -6.235 -9.694 429 HG3 GLN 51 1HG GLN 51 -6.719 -7.397 -10.753 430 HE21 GLN 51 1HE2 GLN 51 -7.803 -5.601 -8.630 431 HE22 GLN 51 2HE2 GLN 51 -8.675 -6.634 -7.558 432 H GLU 52 H GLU 52 -3.861 -10.360 -7.820 433 HA GLU 52 HA GLU 52 -5.678 -10.605 -5.667 434 HB2 GLU 52 2HB GLU 52 -3.235 -12.302 -6.362 435 HB3 GLU 52 1HB GLU 52 -4.478 -12.765 -5.195 436 HG2 GLU 52 2HG GLU 52 -6.161 -12.836 -6.959 437 HG3 GLU 52 1HG GLU 52 -4.984 -12.264 -8.142 438 H HIS 53 H HIS 53 -2.256 -9.775 -5.827 439 HA HIS 53 HA HIS 53 -1.626 -9.924 -3.060 440 HB2 HIS 53 2HB HIS 53 0.175 -9.961 -4.729 441 HB3 HIS 53 1HB HIS 53 -0.296 -8.377 -5.335 442 HD1 HIS 53 HD1 HIS 53 1.268 -10.009 -2.313 443 HD2 HIS 53 HD2 HIS 53 0.826 -6.246 -4.000 444 HE1 HIS 53 HE1 HIS 53 2.791 -8.503 -1.008 445 HE2 HIS 53 HE2 HIS 53 2.695 -6.313 -2.234 446 H LEU 54 H LEU 54 -2.667 -7.270 -5.204 447 HA LEU 54 HA LEU 54 -2.652 -5.135 -3.372 448 HB2 LEU 54 2HB LEU 54 -4.415 -5.672 -5.786 449 HB3 LEU 54 1HB LEU 54 -4.470 -4.159 -4.891 450 HG LEU 54 HG LEU 54 -2.074 -5.229 -6.428 451 HD11 LEU 54 1HD1 LEU 54 -2.534 -3.356 -7.955 452 HD12 LEU 54 2HD1 LEU 54 -3.994 -2.972 -7.045 453 HD13 LEU 54 3HD1 LEU 54 -3.861 -4.512 -7.900 454 HD21 LEU 54 3HD2 LEU 54 -1.330 -3.930 -4.483 455 HD22 LEU 54 1HD2 LEU 54 -2.401 -2.597 -4.930 456 HD23 LEU 54 2HD2 LEU 54 -1.039 -3.031 -5.969 457 H ASP 55 H ASP 55 -5.120 -7.539 -4.189 458 HA ASP 55 HA ASP 55 -7.198 -6.417 -2.584 459 HB2 ASP 55 2HB ASP 55 -7.529 -7.876 -4.656 460 HB3 ASP 55 1HB ASP 55 -7.058 -9.265 -3.678 461 H SER 56 H SER 56 -4.687 -8.829 -2.057 462 HA SER 56 HA SER 56 -5.644 -9.883 0.415 463 HB2 SER 56 2HB SER 56 -4.029 -11.136 -0.987 464 HB3 SER 56 1HB SER 56 -2.811 -9.881 -0.730 465 HG SER 56 HG SER 56 -4.017 -11.096 1.497 466 H VAL 57 H VAL 57 -3.305 -7.358 -0.443 467 HA VAL 57 HA VAL 57 -2.555 -6.538 2.149 468 HB VAL 57 HB VAL 57 -2.532 -5.095 -0.547 469 HG11 VAL 57 1HG1 VAL 57 -1.105 -3.334 0.482 470 HG12 VAL 57 2HG1 VAL 57 -1.394 -4.039 2.074 471 HG13 VAL 57 3HG1 VAL 57 -2.732 -3.339 1.162 472 HG21 VAL 57 3HG2 VAL 57 -0.273 -6.245 1.152 473 HG22 VAL 57 1HG2 VAL 57 -0.077 -5.449 -0.415 474 HG23 VAL 57 2HG2 VAL 57 -0.944 -6.980 -0.304 475 H ALA 58 H ALA 58 -5.027 -5.367 -0.091 476 HA ALA 58 HA ALA 58 -6.000 -3.242 1.517 477 HB1 ALA 58 3HB ALA 58 -7.718 -3.004 -0.203 478 HB2 ALA 58 1HB ALA 58 -7.290 -4.573 -0.882 479 HB3 ALA 58 2HB ALA 58 -6.134 -3.239 -0.946 480 H ASN 59 H ASN 59 -6.711 -6.639 1.380 481 HA ASN 59 HA ASN 59 -9.228 -6.702 2.713 482 HB2 ASN 59 2HB ASN 59 -8.332 -8.684 1.527 483 HB3 ASN 59 1HB ASN 59 -6.982 -8.777 2.650 484 HD21 ASN 59 1HD2 ASN 59 -7.419 -10.788 3.488 485 HD22 ASN 59 2HD2 ASN 59 -8.839 -11.180 4.383 486 H TYR 60 H TYR 60 -5.846 -6.866 3.831 487 HA TYR 60 HA TYR 60 -6.435 -6.943 6.629 488 HB2 TYR 60 2HB TYR 60 -3.898 -6.392 5.059 489 HB3 TYR 60 1HB TYR 60 -3.927 -6.205 6.810 490 HD1 TYR 60 HD1 TYR 60 -5.098 -8.286 8.056 491 HD2 TYR 60 HD2 TYR 60 -3.095 -8.487 4.279 492 HE1 TYR 60 HE1 TYR 60 -4.696 -10.666 8.409 493 HE2 TYR 60 HE2 TYR 60 -2.695 -10.890 4.628 494 HH TYR 60 HH TYR 60 -4.252 -12.683 7.066 495 H LEU 61 H LEU 61 -5.761 -4.329 4.328 496 HA LEU 61 HA LEU 61 -5.586 -2.192 6.167 497 HB2 LEU 61 2HB LEU 61 -6.586 -2.186 3.290 498 HB3 LEU 61 1HB LEU 61 -6.192 -0.744 4.214 499 HG LEU 61 HG LEU 61 -4.233 -2.906 3.352 500 HD11 LEU 61 1HD1 LEU 61 -4.491 -0.045 2.400 501 HD12 LEU 61 2HD1 LEU 61 -4.930 -1.496 1.493 502 HD13 LEU 61 3HD1 LEU 61 -3.245 -1.202 1.914 503 HD21 LEU 61 3HD2 LEU 61 -3.547 -2.045 5.516 504 HD22 LEU 61 1HD2 LEU 61 -3.692 -0.379 4.942 505 HD23 LEU 61 2HD2 LEU 61 -2.461 -1.452 4.265 506 H HIS 62 H HIS 62 -8.336 -3.744 4.579 507 HA HIS 62 HA HIS 62 -10.418 -2.121 5.599 508 HB2 HIS 62 2HB HIS 62 -10.730 -3.647 3.689 509 HB3 HIS 62 1HB HIS 62 -10.420 -5.036 4.717 510 HD1 HIS 62 HD1 HIS 62 -13.091 -2.670 3.694 511 HD2 HIS 62 HD2 HIS 62 -12.600 -5.740 6.444 512 HE1 HIS 62 HE1 HIS 62 -15.398 -3.270 4.459 513 HE2 HIS 62 HE2 HIS 62 -15.053 -4.989 6.257 514 H ALA 63 H ALA 63 -9.049 -5.223 6.717 515 HA ALA 63 HA ALA 63 -10.906 -5.726 8.789 516 HB1 ALA 63 3HB ALA 63 -8.094 -6.831 8.418 517 HB2 ALA 63 1HB ALA 63 -9.565 -7.487 7.697 518 HB3 ALA 63 2HB ALA 63 -9.351 -7.528 9.447 519 H LEU 64 H LEU 64 -7.708 -4.212 8.811 520 HA LEU 64 HA LEU 64 -7.574 -4.002 11.706 521 HB2 LEU 64 2HB LEU 64 -5.681 -2.936 9.573 522 HB3 LEU 64 1HB LEU 64 -5.352 -3.003 11.299 523 HG LEU 64 HG LEU 64 -5.703 -5.420 9.474 524 HD11 LEU 64 1HD1 LEU 64 -3.303 -5.816 9.808 525 HD12 LEU 64 2HD1 LEU 64 -3.171 -4.305 10.716 526 HD13 LEU 64 3HD1 LEU 64 -3.608 -4.278 9.005 527 HD21 LEU 64 3HD2 LEU 64 -4.983 -5.316 12.419 528 HD22 LEU 64 1HD2 LEU 64 -4.983 -6.762 11.400 529 HD23 LEU 64 2HD2 LEU 64 -6.492 -5.917 11.723 530 H GLY 65 H GLY 65 -8.674 -2.041 9.078 531 HA2 GLY 65 2HA GLY 65 -9.689 0.061 9.131 532 HA3 GLY 65 1HA GLY 65 -9.082 0.325 10.761 533 H GLY 66 H GLY 66 -6.762 -0.856 8.547 534 HA2 GLY 66 2HA GLY 66 -5.154 1.534 8.716 535 HA3 GLY 66 1HA GLY 66 -4.719 0.015 7.950 536 H ALA 67 H ALA 67 -7.549 0.502 6.530 537 HA ALA 67 HA ALA 67 -6.544 1.316 4.023 538 HB1 ALA 67 3HB ALA 67 -8.898 1.341 3.292 539 HB2 ALA 67 1HB ALA 67 -9.436 1.278 4.971 540 HB3 ALA 67 2HB ALA 67 -8.564 -0.090 4.273 541 H VAL 68 H VAL 68 -8.431 3.014 6.479 542 HA VAL 68 HA VAL 68 -8.695 5.532 5.237 543 HB VAL 68 HB VAL 68 -8.621 4.816 8.217 544 HG11 VAL 68 1HG1 VAL 68 -9.911 6.902 8.597 545 HG12 VAL 68 2HG1 VAL 68 -9.749 7.310 6.886 546 HG13 VAL 68 3HG1 VAL 68 -8.319 7.237 7.919 547 HG21 VAL 68 3HG2 VAL 68 -11.091 4.727 8.083 548 HG22 VAL 68 1HG2 VAL 68 -10.352 3.551 6.991 549 HG23 VAL 68 2HG2 VAL 68 -11.016 5.056 6.349 550 H GLN 69 H GLN 69 -6.164 4.098 7.269 551 HA GLN 69 HA GLN 69 -4.615 6.435 7.731 552 HB2 GLN 69 2HB GLN 69 -3.741 3.512 7.761 553 HB3 GLN 69 1HB GLN 69 -2.809 4.858 8.422 554 HG2 GLN 69 2HG GLN 69 -5.516 3.900 9.401 555 HG3 GLN 69 1HG GLN 69 -3.966 3.620 10.195 556 HE21 GLN 69 1HE2 GLN 69 -6.325 4.932 11.269 557 HE22 GLN 69 2HE2 GLN 69 -5.856 6.532 11.714 558 H VAL 70 H VAL 70 -4.496 3.912 5.238 559 HA VAL 70 HA VAL 70 -2.151 4.766 3.884 560 HB VAL 70 HB VAL 70 -4.531 3.152 2.840 561 HG11 VAL 70 1HG1 VAL 70 -3.026 2.397 1.000 562 HG12 VAL 70 2HG1 VAL 70 -1.789 3.527 1.565 563 HG13 VAL 70 3HG1 VAL 70 -3.319 4.135 0.931 564 HG21 VAL 70 3HG2 VAL 70 -1.806 2.235 3.827 565 HG22 VAL 70 1HG2 VAL 70 -3.076 1.188 3.189 566 HG23 VAL 70 2HG2 VAL 70 -3.329 2.063 4.697 567 H LYS 71 H LYS 71 -5.606 5.345 3.294 568 HA LYS 71 HA LYS 71 -5.452 6.918 0.992 569 HB2 LYS 71 2HB LYS 71 -7.507 6.769 3.225 570 HB3 LYS 71 1HB LYS 71 -7.753 7.765 1.795 571 HG2 LYS 71 2HG LYS 71 -7.717 5.829 0.346 572 HG3 LYS 71 1HG LYS 71 -7.245 4.779 1.686 573 HD2 LYS 71 2HD LYS 71 -9.639 4.533 1.154 574 HD3 LYS 71 1HD LYS 71 -9.406 5.160 2.787 575 HE2 LYS 71 2HE LYS 71 -9.943 7.431 2.013 576 HE3 LYS 71 1HE LYS 71 -10.096 6.848 0.354 577 HZ1 LYS 71 3HZ LYS 71 -11.954 5.482 1.040 578 HZ2 LYS 71 1HZ LYS 71 -12.239 7.099 1.435 579 HZ3 LYS 71 2HZ LYS 71 -11.787 6.002 2.640 580 H THR 72 H THR 72 -5.703 7.963 4.398 581 HA THR 72 HA THR 72 -5.651 10.739 3.985 582 HB THR 72 HB THR 72 -4.803 9.138 6.437 583 HG1 THR 72 HG1 THR 72 -6.905 9.154 6.965 584 HG21 THR 72 3HG2 THR 72 -5.236 11.184 7.748 585 HG22 THR 72 1HG2 THR 72 -5.606 12.071 6.269 586 HG23 THR 72 2HG2 THR 72 -3.965 11.489 6.559 587 H PHE 73 H PHE 73 -2.999 8.426 4.651 588 HA PHE 73 HA PHE 73 -0.931 10.349 4.953 589 HB2 PHE 73 2HB PHE 73 -0.761 7.994 5.803 590 HB3 PHE 73 1HB PHE 73 -0.668 7.414 4.150 591 HD1 PHE 73 HD2 PHE 73 1.099 9.604 6.620 592 HD2 PHE 73 HD1 PHE 73 1.462 7.276 3.051 593 HE1 PHE 73 HE2 PHE 73 3.544 9.894 6.665 594 HE2 PHE 73 HE1 PHE 73 3.899 7.567 3.111 595 HZ PHE 73 HZ PHE 73 4.943 8.872 4.911 596 H ILE 74 H ILE 74 -1.899 8.298 2.196 597 HA ILE 74 HA ILE 74 0.046 9.200 0.349 598 HB ILE 74 HB ILE 74 -2.570 7.688 0.035 599 HG12 ILE 74 2HG1 ILE 74 0.360 6.918 -0.337 600 HG13 ILE 74 1HG1 ILE 74 -0.714 6.399 0.958 601 HG21 ILE 74 1HG2 ILE 74 -0.776 8.420 -2.300 602 HG22 ILE 74 2HG2 ILE 74 -2.411 9.018 -2.022 603 HG23 ILE 74 3HG2 ILE 74 -2.147 7.308 -2.359 604 HD11 ILE 74 3HD1 ILE 74 -0.374 4.602 -0.591 605 HD12 ILE 74 1HD1 ILE 74 -0.875 5.605 -1.952 606 HD13 ILE 74 2HD1 ILE 74 -2.046 5.146 -0.713 607 H THR 75 H THR 75 -3.142 10.460 1.216 608 HA THR 75 HA THR 75 -3.356 12.361 -0.893 609 HB THR 75 HB THR 75 -4.577 12.466 1.903 610 HG1 THR 75 HG1 THR 75 -5.046 10.715 0.180 611 HG21 THR 75 3HG2 THR 75 -5.339 14.029 -0.604 612 HG22 THR 75 1HG2 THR 75 -4.612 14.715 0.854 613 HG23 THR 75 2HG2 THR 75 -6.237 14.032 0.914 614 H GLN 76 H GLN 76 -1.974 12.498 2.417 615 HA GLN 76 HA GLN 76 -1.260 15.268 2.343 616 HB2 GLN 76 2HB GLN 76 -0.390 13.002 4.179 617 HB3 GLN 76 1HB GLN 76 0.139 14.672 4.400 618 HG2 GLN 76 2HG GLN 76 -2.212 15.370 4.691 619 HG3 GLN 76 1HG GLN 76 -2.736 13.696 4.487 620 HE21 GLN 76 1HE2 GLN 76 -3.672 13.678 6.562 621 HE22 GLN 76 2HE2 GLN 76 -2.715 13.590 7.996 622 H THR 77 H THR 77 0.921 12.406 2.397 623 HA THR 77 HA THR 77 3.199 13.832 1.530 624 HB THR 77 HB THR 77 3.322 11.665 2.838 625 HG1 THR 77 HG1 THR 77 5.261 11.161 1.909 626 HG21 THR 77 3HG2 THR 77 1.731 10.264 1.531 627 HG22 THR 77 1HG2 THR 77 3.326 9.513 1.614 628 HG23 THR 77 2HG2 THR 77 2.812 10.337 0.141 629 H LYS 78 H LYS 78 3.963 14.226 -0.453 630 HA LYS 78 HA LYS 78 2.649 13.032 -2.838 631 HB2 LYS 78 2HB LYS 78 4.018 15.746 -2.540 632 HB3 LYS 78 1HB LYS 78 3.306 15.122 -4.031 633 HG2 LYS 78 2HG LYS 78 1.075 15.137 -3.028 634 HG3 LYS 78 1HG LYS 78 1.739 15.627 -1.466 635 HD2 LYS 78 2HD LYS 78 2.474 17.788 -2.489 636 HD3 LYS 78 1HD LYS 78 1.746 17.297 -4.025 637 HE2 LYS 78 2HE LYS 78 -0.470 17.221 -2.965 638 HE3 LYS 78 1HE LYS 78 0.238 17.631 -1.403 639 HZ1 LYS 78 3HZ LYS 78 -0.761 19.551 -2.459 640 HZ2 LYS 78 1HZ LYS 78 0.238 19.364 -3.810 641 HZ3 LYS 78 2HZ LYS 78 0.911 19.756 -2.311 642 H GLU 79 H GLU 79 4.967 12.225 -1.042 643 HA GLU 79 HA GLU 79 7.309 12.200 -2.693 644 HB2 GLU 79 2HB GLU 79 6.538 10.555 -0.246 645 HB3 GLU 79 1HB GLU 79 8.116 10.463 -1.032 646 HG2 GLU 79 2HG GLU 79 6.913 12.920 0.284 647 HG3 GLU 79 1HG GLU 79 8.192 11.903 0.948 648 H ARG 80 H ARG 80 7.951 10.719 -4.105 649 HA ARG 80 HA ARG 80 6.017 8.669 -4.961 650 HB2 ARG 80 2HB ARG 80 8.260 10.046 -6.512 651 HB3 ARG 80 1HB ARG 80 7.225 8.772 -7.172 652 HG2 ARG 80 2HG ARG 80 5.246 10.194 -6.737 653 HG3 ARG 80 1HG ARG 80 6.295 11.471 -6.169 654 HD2 ARG 80 2HD ARG 80 7.278 11.668 -8.419 655 HD3 ARG 80 1HD ARG 80 6.283 10.315 -8.980 656 HE ARG 80 HE ARG 80 5.284 12.975 -8.146 657 HH11 ARG 80 1HH1 ARG 80 4.765 9.990 -9.928 658 HH12 ARG 80 2HH1 ARG 80 3.286 10.533 -10.649 659 HH21 ARG 80 1HH2 ARG 80 3.328 13.639 -9.042 660 HH22 ARG 80 2HH2 ARG 80 2.475 12.606 -10.145 661 HA PRO 81 HA PRO 81 8.638 5.318 -3.566 662 HB2 PRO 81 2HB PRO 81 7.743 3.956 -6.099 663 HB3 PRO 81 1HB PRO 81 7.633 3.398 -4.418 664 HG2 PRO 81 2HG PRO 81 5.465 4.250 -5.717 665 HG3 PRO 81 1HG PRO 81 5.698 4.599 -3.989 666 HD2 PRO 81 2HD PRO 81 6.032 6.451 -6.340 667 HD3 PRO 81 1HD PRO 81 5.430 6.784 -4.702 668 H ARG 82 H ARG 82 10.794 5.320 -3.793 669 HA ARG 82 HA ARG 82 12.029 6.135 -6.366 670 HB2 ARG 82 2HB ARG 82 12.085 7.821 -4.505 671 HB3 ARG 82 1HB ARG 82 12.971 6.667 -3.509 672 HG2 ARG 82 2HG ARG 82 14.860 6.735 -5.099 673 HG3 ARG 82 1HG ARG 82 13.954 7.845 -6.132 674 HD2 ARG 82 2HD ARG 82 13.913 9.496 -4.276 675 HD3 ARG 82 1HD ARG 82 14.898 8.399 -3.302 676 HE ARG 82 HE ARG 82 16.470 8.639 -5.397 677 HH11 ARG 82 1HH1 ARG 82 14.642 11.196 -3.830 678 HH12 ARG 82 2HH1 ARG 82 15.784 12.433 -4.236 679 HH21 ARG 82 1HH2 ARG 82 17.990 10.253 -5.878 680 HH22 ARG 82 2HH2 ARG 82 17.690 11.893 -5.402 681 H LEU 83 H LEU 83 14.091 5.191 -6.901 682 HA LEU 83 HA LEU 83 14.343 2.434 -6.443 683 HB2 LEU 83 2HB LEU 83 15.286 3.573 -8.411 684 HB3 LEU 83 1HB LEU 83 16.431 4.433 -7.395 685 HG LEU 83 HG LEU 83 17.612 2.337 -6.871 686 HD11 LEU 83 1HD1 LEU 83 15.761 0.770 -6.867 687 HD12 LEU 83 2HD1 LEU 83 17.018 0.205 -7.964 688 HD13 LEU 83 3HD1 LEU 83 15.554 0.952 -8.609 689 HD21 LEU 83 3HD2 LEU 83 18.548 1.841 -9.086 690 HD22 LEU 83 1HD2 LEU 83 18.328 3.574 -8.862 691 HD23 LEU 83 2HD2 LEU 83 17.192 2.662 -9.864 692 H GLY 84 H GLY 84 14.922 1.414 -4.638 693 HA2 GLY 84 2HA GLY 84 16.345 0.792 -2.876 694 HA3 GLY 84 1HA GLY 84 17.085 2.382 -2.897 695 H LYS 85 H LYS 85 14.400 3.719 -2.901 696 HA LYS 85 HA LYS 85 13.912 3.530 0.022 697 HB2 LYS 85 2HB LYS 85 15.048 5.613 -0.694 698 HB3 LYS 85 1HB LYS 85 13.730 5.953 -1.815 699 HG2 LYS 85 2HG LYS 85 12.157 6.173 0.057 700 HG3 LYS 85 1HG LYS 85 13.443 5.768 1.202 701 HD2 LYS 85 2HD LYS 85 14.676 7.825 0.505 702 HD3 LYS 85 1HD LYS 85 13.347 8.237 -0.587 703 HE2 LYS 85 2HE LYS 85 11.814 8.380 1.341 704 HE3 LYS 85 1HE LYS 85 13.138 7.960 2.432 705 HZ1 LYS 85 3HZ LYS 85 14.267 9.971 1.792 706 HZ2 LYS 85 1HZ LYS 85 12.719 10.342 2.358 707 HZ3 LYS 85 2HZ LYS 85 13.045 10.359 0.701 708 H ALA 86 H ALA 86 11.992 2.619 0.437 709 HA ALA 86 HA ALA 86 9.703 2.768 -1.381 710 HB1 ALA 86 3HB ALA 86 10.004 1.400 1.319 711 HB2 ALA 86 1HB ALA 86 10.253 0.642 -0.255 712 HB3 ALA 86 2HB ALA 86 8.645 1.207 0.205 713 H VAL 87 H VAL 87 7.670 3.679 -0.810 714 HA VAL 87 HA VAL 87 7.649 5.863 1.108 715 HB VAL 87 HB VAL 87 5.365 4.790 -0.631 716 HG11 VAL 87 1HG1 VAL 87 4.480 6.002 1.330 717 HG12 VAL 87 2HG1 VAL 87 4.211 6.940 -0.140 718 HG13 VAL 87 3HG1 VAL 87 5.514 7.388 0.965 719 HG21 VAL 87 3HG2 VAL 87 5.797 6.741 -2.095 720 HG22 VAL 87 1HG2 VAL 87 7.211 5.690 -2.000 721 HG23 VAL 87 2HG2 VAL 87 7.174 7.203 -1.090 722 H SER 88 H SER 88 7.893 4.930 3.087 723 HA SER 88 HA SER 88 6.390 2.649 4.021 724 HB2 SER 88 2HB SER 88 8.736 3.078 4.729 725 HB3 SER 88 1HB SER 88 8.233 4.564 5.532 726 HG SER 88 HG SER 88 7.595 3.415 7.167 727 H ILE 89 H ILE 89 4.266 3.001 4.265 728 HA ILE 89 HA ILE 89 3.140 5.508 5.249 729 HB ILE 89 HB ILE 89 1.771 2.922 4.365 730 HG12 ILE 89 2HG1 ILE 89 2.120 5.517 2.787 731 HG13 ILE 89 1HG1 ILE 89 3.065 4.052 2.537 732 HG21 ILE 89 1HG2 ILE 89 0.523 5.653 4.868 733 HG22 ILE 89 2HG2 ILE 89 0.318 4.216 5.871 734 HG23 ILE 89 3HG2 ILE 89 -0.314 4.236 4.227 735 HD11 ILE 89 3HD1 ILE 89 1.041 2.852 1.889 736 HD12 ILE 89 1HD1 ILE 89 1.328 4.267 0.879 737 HD13 ILE 89 2HD1 ILE 89 0.089 4.321 2.131 738 HA PRO 90 HA PRO 90 3.114 3.501 9.427 739 HB2 PRO 90 2HB PRO 90 2.390 6.216 10.410 740 HB3 PRO 90 1HB PRO 90 3.809 5.230 10.810 741 HG2 PRO 90 2HG PRO 90 4.031 7.467 9.320 742 HG3 PRO 90 1HG PRO 90 5.065 6.046 9.040 743 HD2 PRO 90 2HD PRO 90 2.586 6.890 7.532 744 HD3 PRO 90 1HD PRO 90 4.154 6.333 6.900 745 H LEU 91 H LEU 91 1.299 2.297 9.605 746 HA LEU 91 HA LEU 91 -1.365 3.441 9.249 747 HB2 LEU 91 2HB LEU 91 -0.608 0.601 10.023 748 HB3 LEU 91 1HB LEU 91 -2.181 1.155 9.481 749 HG LEU 91 HG LEU 91 0.354 0.933 7.802 750 HD11 LEU 91 1HD1 LEU 91 -2.266 -0.577 7.642 751 HD12 LEU 91 2HD1 LEU 91 -0.725 -1.205 8.231 752 HD13 LEU 91 3HD1 LEU 91 -0.895 -0.751 6.537 753 HD21 LEU 91 3HD2 LEU 91 -0.858 2.927 7.098 754 HD22 LEU 91 1HD2 LEU 91 -2.363 2.011 6.972 755 HD23 LEU 91 2HD2 LEU 91 -1.017 1.667 5.879 756 H ASP 92 H ASP 92 -1.859 4.705 10.921 757 HA ASP 92 HA ASP 92 -1.068 4.199 13.644 758 HB2 ASP 92 2HB ASP 92 -1.270 6.505 12.664 759 HB3 ASP 92 1HB ASP 92 -3.013 6.274 12.534 760 H LEU 93 H LEU 93 -1.986 2.176 14.071 761 HA LEU 93 HA LEU 93 -4.936 1.941 14.201 762 HB2 LEU 93 2HB LEU 93 -2.825 -0.246 14.472 763 HB3 LEU 93 1HB LEU 93 -4.565 -0.478 14.341 764 HG LEU 93 HG LEU 93 -2.756 0.605 12.136 765 HD11 LEU 93 1HD1 LEU 93 -2.368 -1.770 12.529 766 HD12 LEU 93 2HD1 LEU 93 -3.168 -1.512 10.983 767 HD13 LEU 93 3HD1 LEU 93 -4.095 -2.107 12.364 768 HD21 LEU 93 3HD2 LEU 93 -5.731 -0.009 12.063 769 HD22 LEU 93 1HD2 LEU 93 -4.731 0.426 10.674 770 HD23 LEU 93 2HD2 LEU 93 -4.980 1.587 11.970 771 H GLY 94 H GLY 94 -4.684 3.486 16.008 772 HA2 GLY 94 2HA GLY 94 -4.089 2.161 18.612 773 HA3 GLY 94 1HA GLY 94 -4.024 3.895 18.314 774 H GLU 95 H GLU 95 -6.012 5.017 17.843 775 HA GLU 95 HA GLU 95 -8.184 4.222 19.535 776 HB2 GLU 95 2HB GLU 95 -7.486 6.616 19.200 777 HB3 GLU 95 1HB GLU 95 -8.072 6.532 17.539 778 HG2 GLU 95 2HG GLU 95 -10.365 6.114 18.353 779 HG3 GLU 95 1HG GLU 95 -9.792 6.162 20.023 780 H ARG 96 H ARG 96 -7.678 4.382 16.004 781 HA ARG 96 HA ARG 96 -10.177 3.626 15.031 782 HB2 ARG 96 2HB ARG 96 -7.438 2.807 13.949 783 HB3 ARG 96 1HB ARG 96 -8.948 2.678 13.055 784 HG2 ARG 96 2HG ARG 96 -7.713 5.286 14.000 785 HG3 ARG 96 1HG ARG 96 -7.524 4.610 12.386 786 HD2 ARG 96 2HD ARG 96 -9.203 6.292 12.229 787 HD3 ARG 96 1HD ARG 96 -10.051 4.752 12.148 788 HE ARG 96 HE ARG 96 -11.126 5.264 14.091 789 HH11 ARG 96 1HH1 ARG 96 -8.434 7.535 13.785 790 HH12 ARG 96 2HH1 ARG 96 -8.961 8.514 15.112 791 HH21 ARG 96 1HH2 ARG 96 -11.807 6.585 15.787 792 HH22 ARG 96 2HH2 ARG 96 -10.879 7.972 16.245 793 H ALA 97 H ALA 97 -7.470 1.634 16.155 794 HA ALA 97 HA ALA 97 -8.623 -0.921 15.817 795 HB1 ALA 97 3HB ALA 97 -6.468 -0.034 17.768 796 HB2 ALA 97 1HB ALA 97 -6.203 -0.599 16.113 797 HB3 ALA 97 2HB ALA 97 -6.837 -1.704 17.333 798 H SER 98 H SER 98 -8.578 1.354 18.548 799 HA SER 98 HA SER 98 -9.616 -0.409 20.484 800 HB2 SER 98 2HB SER 98 -8.308 1.560 21.150 801 HB3 SER 98 1HB SER 98 -9.501 2.638 20.433 802 HG SER 98 HG SER 98 -10.735 1.054 22.207 803 H GLU 99 H GLU 99 -11.208 1.564 18.099 804 HA GLU 99 HA GLU 99 -13.758 1.788 19.337 805 HB2 GLU 99 2HB GLU 99 -12.894 2.078 16.439 806 HB3 GLU 99 1HB GLU 99 -14.547 2.385 16.982 807 HG2 GLU 99 2HG GLU 99 -13.787 4.185 18.437 808 HG3 GLU 99 1HG GLU 99 -12.101 3.827 18.056 809 H TRP 100 H TRP 100 -12.391 -0.671 17.126 810 HA TRP 100 HA TRP 100 -14.955 -2.149 17.198 811 HB2 TRP 100 2HB TRP 100 -13.991 -3.654 15.513 812 HB3 TRP 100 1HB TRP 100 -13.948 -1.983 14.992 813 HD1 TRP 100 HD1 TRP 100 -11.420 -0.802 15.085 814 HE1 TRP 100 HE1 TRP 100 -9.155 -1.848 14.494 815 HE3 TRP 100 HE3 TRP 100 -12.620 -5.721 15.698 816 HZ2 TRP 100 HZ2 TRP 100 -8.003 -4.403 14.344 817 HZ3 TRP 100 HZ3 TRP 100 -10.869 -7.415 15.329 818 HH2 TRP 100 HH2 TRP 100 -8.609 -6.765 14.664 819 H ILE 101 H ILE 101 -11.980 -2.101 18.884 820 HA ILE 101 HA ILE 101 -12.196 -4.781 19.974 821 HB ILE 101 HB ILE 101 -10.401 -2.405 20.467 822 HG12 ILE 101 2HG1 ILE 101 -8.604 -4.153 20.391 823 HG13 ILE 101 1HG1 ILE 101 -9.838 -5.399 20.291 824 HG21 ILE 101 1HG2 ILE 101 -9.426 -3.316 22.555 825 HG22 ILE 101 2HG2 ILE 101 -10.710 -4.528 22.614 826 HG23 ILE 101 3HG2 ILE 101 -11.104 -2.817 22.774 827 HD11 ILE 101 3HD1 ILE 101 -10.520 -4.542 18.110 828 HD12 ILE 101 1HD1 ILE 101 -8.815 -4.984 18.152 829 HD13 ILE 101 2HD1 ILE 101 -9.281 -3.290 18.225 830 H ILE 102 H ILE 102 -13.355 -1.565 20.783 831 HA ILE 102 HA ILE 102 -14.712 -0.665 22.329 832 HB ILE 102 HB ILE 102 -15.807 -3.503 22.636 833 HG12 ILE 102 2HG1 ILE 102 -15.982 -2.516 20.311 834 HG13 ILE 102 1HG1 ILE 102 -17.542 -2.890 21.033 835 HG21 ILE 102 1HG2 ILE 102 -17.884 -2.453 23.563 836 HG22 ILE 102 2HG2 ILE 102 -17.055 -0.892 23.579 837 HG23 ILE 102 3HG2 ILE 102 -16.473 -2.208 24.597 838 HD11 ILE 102 3HD1 ILE 102 -17.582 -0.793 19.833 839 HD12 ILE 102 1HD1 ILE 102 -16.293 -0.150 20.848 840 HD13 ILE 102 2HD1 ILE 102 -17.871 -0.529 21.551 841 H LEU 103 H LEU 103 -12.830 -0.198 23.622 842 HA LEU 103 HA LEU 103 -12.376 -1.694 26.074 843 HB2 LEU 103 2HB LEU 103 -11.431 1.055 25.154 844 HB3 LEU 103 1HB LEU 103 -10.960 0.321 26.681 845 HG LEU 103 HG LEU 103 -10.295 -0.795 23.920 846 HD11 LEU 103 1HD1 LEU 103 -9.069 1.267 24.380 847 HD12 LEU 103 2HD1 LEU 103 -7.988 -0.123 24.388 848 HD13 LEU 103 3HD1 LEU 103 -8.492 0.610 25.915 849 HD21 LEU 103 3HD2 LEU 103 -9.439 -1.761 26.676 850 HD22 LEU 103 1HD2 LEU 103 -8.827 -2.371 25.135 851 HD23 LEU 103 2HD2 LEU 103 -10.520 -2.596 25.555 852 H GLU 104 H GLU 104 -12.666 -0.579 28.198 853 HA GLU 104 HA GLU 104 -15.387 0.199 28.545 854 HB2 GLU 104 2HB GLU 104 -14.793 0.417 30.972 855 HB3 GLU 104 1HB GLU 104 -14.372 -1.141 30.270 856 HG2 GLU 104 2HG GLU 104 -12.020 -0.519 30.179 857 HG3 GLU 104 1HG GLU 104 -12.386 1.113 30.734 Start of MODEL 15 1 H1 MET 1 1H MET 1 -11.016 -0.638 2.681 2 H2 MET 1 2H MET 1 -12.309 0.066 1.849 3 H3 MET 1 3H MET 1 -11.097 1.041 2.510 4 HA MET 1 HA MET 1 -10.907 0.811 0.121 5 HB2 MET 1 2HB MET 1 -8.892 1.241 1.497 6 HB3 MET 1 1HB MET 1 -8.657 -0.487 1.713 7 HG2 MET 1 2HG MET 1 -8.354 -0.671 -0.790 8 HG3 MET 1 1HG MET 1 -8.363 1.094 -0.856 9 HE1 MET 1 3HE MET 1 -5.185 1.958 1.252 10 HE2 MET 1 1HE MET 1 -6.847 1.864 1.827 11 HE3 MET 1 2HE MET 1 -6.491 2.609 0.267 12 H THR 2 H THR 2 -11.065 -0.476 -1.636 13 HA THR 2 HA THR 2 -10.981 -3.426 -1.423 14 HB THR 2 HB THR 2 -12.090 -3.366 -3.682 15 HG1 THR 2 HG1 THR 2 -12.887 -0.812 -3.740 16 HG21 THR 2 3HG2 THR 2 -14.294 -2.490 -2.986 17 HG22 THR 2 1HG2 THR 2 -13.541 -1.670 -1.614 18 HG23 THR 2 2HG2 THR 2 -13.558 -3.433 -1.689 19 H GLY 3 H GLY 3 -9.940 -4.505 -3.381 20 HA2 GLY 3 2HA GLY 3 -7.285 -3.689 -3.919 21 HA3 GLY 3 1HA GLY 3 -8.181 -4.922 -4.789 22 H GLN 4 H GLN 4 -10.299 -2.868 -5.448 23 HA GLN 4 HA GLN 4 -9.356 -1.761 -7.893 24 HB2 GLN 4 2HB GLN 4 -11.718 -2.282 -7.618 25 HB3 GLN 4 1HB GLN 4 -11.849 -1.235 -6.215 26 HG2 GLN 4 2HG GLN 4 -12.911 -0.232 -8.196 27 HG3 GLN 4 1HG GLN 4 -11.568 0.751 -7.618 28 HE21 GLN 4 1HE2 GLN 4 -11.210 -2.175 -9.592 29 HE22 GLN 4 2HE2 GLN 4 -10.588 -1.354 -10.974 30 H GLU 5 H GLU 5 -10.265 -0.284 -4.770 31 HA GLU 5 HA GLU 5 -9.657 2.388 -5.438 32 HB2 GLU 5 2HB GLU 5 -9.883 1.043 -2.718 33 HB3 GLU 5 1HB GLU 5 -9.753 2.788 -2.941 34 HG2 GLU 5 2HG GLU 5 -11.874 2.809 -4.177 35 HG3 GLU 5 1HG GLU 5 -11.999 1.053 -4.016 36 H LEU 6 H LEU 6 -7.736 -0.151 -3.855 37 HA LEU 6 HA LEU 6 -5.561 1.503 -3.073 38 HB2 LEU 6 2HB LEU 6 -6.053 -0.690 -2.042 39 HB3 LEU 6 1HB LEU 6 -5.634 -1.494 -3.542 40 HG LEU 6 HG LEU 6 -3.276 -0.826 -3.308 41 HD11 LEU 6 1HD1 LEU 6 -2.418 0.346 -1.329 42 HD12 LEU 6 2HD1 LEU 6 -4.064 0.581 -0.737 43 HD13 LEU 6 3HD1 LEU 6 -3.543 1.361 -2.231 44 HD21 LEU 6 3HD2 LEU 6 -3.966 -2.907 -2.252 45 HD22 LEU 6 1HD2 LEU 6 -4.356 -2.049 -0.760 46 HD23 LEU 6 2HD2 LEU 6 -2.685 -2.136 -1.322 47 H ARG 7 H ARG 7 -6.132 -0.597 -5.909 48 HA ARG 7 HA ARG 7 -3.666 -0.326 -7.209 49 HB2 ARG 7 2HB ARG 7 -5.434 -1.960 -7.860 50 HB3 ARG 7 1HB ARG 7 -6.435 -0.635 -8.455 51 HG2 ARG 7 2HG ARG 7 -4.689 -0.098 -10.145 52 HG3 ARG 7 1HG ARG 7 -3.722 -1.455 -9.557 53 HD2 ARG 7 2HD ARG 7 -5.574 -2.996 -10.173 54 HD3 ARG 7 1HD ARG 7 -6.468 -1.624 -10.833 55 HE ARG 7 HE ARG 7 -4.595 -1.334 -12.418 56 HH11 ARG 7 1HH1 ARG 7 -5.020 -4.473 -10.912 57 HH12 ARG 7 2HH1 ARG 7 -4.223 -5.327 -12.184 58 HH21 ARG 7 1HH2 ARG 7 -3.539 -2.462 -14.085 59 HH22 ARG 7 2HH2 ARG 7 -3.374 -4.188 -13.996 60 H GLN 8 H GLN 8 -6.666 1.482 -7.629 61 HA GLN 8 HA GLN 8 -5.646 3.410 -9.434 62 HB2 GLN 8 2HB GLN 8 -8.219 3.103 -7.888 63 HB3 GLN 8 1HB GLN 8 -7.901 4.607 -8.738 64 HG2 GLN 8 2HG GLN 8 -7.884 1.874 -10.048 65 HG3 GLN 8 1HG GLN 8 -9.263 2.976 -10.054 66 HE21 GLN 8 1HE2 GLN 8 -7.442 1.906 -12.218 67 HE22 GLN 8 2HE2 GLN 8 -6.964 3.296 -13.112 68 H LEU 9 H LEU 9 -5.516 3.187 -5.972 69 HA LEU 9 HA LEU 9 -5.194 5.992 -5.447 70 HB2 LEU 9 2HB LEU 9 -5.905 4.237 -3.770 71 HB3 LEU 9 1HB LEU 9 -4.252 3.655 -3.760 72 HG LEU 9 HG LEU 9 -3.492 5.847 -2.847 73 HD11 LEU 9 1HD1 LEU 9 -5.102 7.515 -2.068 74 HD12 LEU 9 2HD1 LEU 9 -6.435 6.576 -2.747 75 HD13 LEU 9 3HD1 LEU 9 -5.224 7.294 -3.816 76 HD21 LEU 9 3HD2 LEU 9 -4.390 5.560 -0.593 77 HD22 LEU 9 1HD2 LEU 9 -4.024 3.999 -1.324 78 HD23 LEU 9 2HD2 LEU 9 -5.698 4.553 -1.221 79 H LEU 10 H LEU 10 -3.111 3.430 -6.521 80 HA LEU 10 HA LEU 10 -0.620 4.919 -6.150 81 HB2 LEU 10 2HB LEU 10 -1.041 2.288 -7.610 82 HB3 LEU 10 1HB LEU 10 0.465 2.910 -6.948 83 HG LEU 10 HG LEU 10 -1.928 1.975 -5.312 84 HD11 LEU 10 1HD1 LEU 10 0.711 0.593 -5.773 85 HD12 LEU 10 2HD1 LEU 10 -0.869 0.098 -6.386 86 HD13 LEU 10 3HD1 LEU 10 -0.554 0.067 -4.653 87 HD21 LEU 10 3HD2 LEU 10 0.812 2.842 -4.341 88 HD22 LEU 10 1HD2 LEU 10 -0.481 2.164 -3.344 89 HD23 LEU 10 2HD2 LEU 10 -0.702 3.725 -4.127 90 H LEU 11 H LEU 11 -2.893 3.991 -8.688 91 HA LEU 11 HA LEU 11 -1.316 4.853 -10.926 92 HB2 LEU 11 2HB LEU 11 -4.239 4.109 -10.644 93 HB3 LEU 11 1HB LEU 11 -3.521 4.556 -12.184 94 HG LEU 11 HG LEU 11 -2.662 2.170 -10.494 95 HD11 LEU 11 1HD1 LEU 11 -3.712 0.783 -12.207 96 HD12 LEU 11 2HD1 LEU 11 -4.314 2.228 -13.023 97 HD13 LEU 11 3HD1 LEU 11 -4.890 1.819 -11.403 98 HD21 LEU 11 3HD2 LEU 11 -0.815 3.074 -11.829 99 HD22 LEU 11 1HD2 LEU 11 -1.807 2.996 -13.288 100 HD23 LEU 11 2HD2 LEU 11 -1.334 1.512 -12.454 101 H ASP 12 H ASP 12 -4.456 6.116 -9.698 102 HA ASP 12 HA ASP 12 -4.648 8.567 -10.889 103 HB2 ASP 12 2HB ASP 12 -6.331 7.632 -9.312 104 HB3 ASP 12 1HB ASP 12 -5.260 7.945 -7.963 105 H LYS 13 H LYS 13 -2.676 7.828 -8.056 106 HA LYS 13 HA LYS 13 -1.913 10.516 -7.466 107 HB2 LYS 13 2HB LYS 13 -2.157 8.774 -5.730 108 HB3 LYS 13 1HB LYS 13 -0.827 7.878 -6.444 109 HG2 LYS 13 2HG LYS 13 0.012 9.011 -4.527 110 HG3 LYS 13 1HG LYS 13 0.678 9.800 -5.956 111 HD2 LYS 13 2HD LYS 13 -1.073 11.590 -5.721 112 HD3 LYS 13 1HD LYS 13 -1.603 10.817 -4.221 113 HE2 LYS 13 2HE LYS 13 0.725 11.126 -3.324 114 HE3 LYS 13 1HE LYS 13 1.117 12.037 -4.785 115 HZ1 LYS 13 3HZ LYS 13 -0.939 12.733 -2.770 116 HZ2 LYS 13 1HZ LYS 13 -0.661 13.586 -4.203 117 HZ3 LYS 13 2HZ LYS 13 0.539 13.520 -3.013 118 H TRP 14 H TRP 14 0.017 7.670 -8.540 119 HA TRP 14 HA TRP 14 2.266 9.501 -9.160 120 HB2 TRP 14 2HB TRP 14 2.277 6.573 -8.348 121 HB3 TRP 14 1HB TRP 14 3.724 7.501 -8.746 122 HD1 TRP 14 HD1 TRP 14 3.551 10.049 -7.134 123 HE1 TRP 14 HE1 TRP 14 3.506 10.086 -4.570 124 HE3 TRP 14 HE3 TRP 14 1.812 5.327 -6.272 125 HZ2 TRP 14 HZ2 TRP 14 2.820 8.383 -2.458 126 HZ3 TRP 14 HZ3 TRP 14 1.485 4.620 -3.936 127 HH2 TRP 14 HH2 TRP 14 1.972 6.111 -2.066 128 H GLY 15 H GLY 15 0.189 7.083 -10.544 129 HA2 GLY 15 2HA GLY 15 -0.230 7.037 -12.880 130 HA3 GLY 15 1HA GLY 15 1.403 7.595 -13.195 131 H TYR 16 H TYR 16 1.642 5.183 -10.906 132 HA TYR 16 HA TYR 16 2.153 3.110 -12.965 133 HB2 TYR 16 2HB TYR 16 4.051 3.889 -10.704 134 HB3 TYR 16 1HB TYR 16 4.257 2.490 -11.752 135 HD1 TYR 16 HD1 TYR 16 4.544 2.875 -14.258 136 HD2 TYR 16 HD2 TYR 16 4.903 6.035 -11.392 137 HE1 TYR 16 HE1 TYR 16 5.744 4.238 -15.904 138 HE2 TYR 16 HE2 TYR 16 6.107 7.400 -13.043 139 HH TYR 16 HH TYR 16 6.160 6.710 -16.316 140 H SER 17 H SER 17 2.025 1.013 -12.291 141 HA SER 17 HA SER 17 0.191 0.492 -10.107 142 HB2 SER 17 2HB SER 17 0.202 -1.826 -11.173 143 HB3 SER 17 1HB SER 17 -0.301 -0.523 -12.251 144 HG SER 17 HG SER 17 1.163 -1.585 -13.436 145 H TYR 18 H TYR 18 2.047 1.198 -8.599 146 HA TYR 18 HA TYR 18 4.293 -0.486 -8.165 147 HB2 TYR 18 2HB TYR 18 2.920 1.412 -6.222 148 HB3 TYR 18 1HB TYR 18 4.487 0.658 -5.955 149 HD1 TYR 18 HD1 TYR 18 6.396 1.221 -7.618 150 HD2 TYR 18 HD2 TYR 18 2.779 3.487 -7.369 151 HE1 TYR 18 HE1 TYR 18 7.515 3.125 -8.695 152 HE2 TYR 18 HE2 TYR 18 3.892 5.367 -8.443 153 HH TYR 18 HH TYR 18 6.991 5.137 -9.917 154 H ASP 19 H ASP 19 4.663 -2.055 -6.534 155 HA ASP 19 HA ASP 19 2.274 -3.346 -5.394 156 HB2 ASP 19 2HB ASP 19 3.748 -5.172 -4.723 157 HB3 ASP 19 1HB ASP 19 3.998 -4.801 -6.420 158 H VAL 20 H VAL 20 1.751 -3.225 -3.289 159 HA VAL 20 HA VAL 20 3.387 -1.573 -1.451 160 HB VAL 20 HB VAL 20 1.275 -1.307 -0.122 161 HG11 VAL 20 1HG1 VAL 20 0.106 0.228 -1.655 162 HG12 VAL 20 2HG1 VAL 20 0.966 -0.475 -3.027 163 HG13 VAL 20 3HG1 VAL 20 1.858 0.407 -1.788 164 HG21 VAL 20 3HG2 VAL 20 -0.072 -2.808 -2.405 165 HG22 VAL 20 1HG2 VAL 20 -0.909 -2.005 -1.073 166 HG23 VAL 20 2HG2 VAL 20 0.124 -3.399 -0.754 167 H GLN 21 H GLN 21 4.042 -2.452 0.537 168 HA GLN 21 HA GLN 21 3.366 -5.270 1.097 169 HB2 GLN 21 2HB GLN 21 5.547 -5.243 -0.078 170 HB3 GLN 21 1HB GLN 21 6.193 -4.128 1.123 171 HG2 GLN 21 2HG GLN 21 5.954 -5.833 2.872 172 HG3 GLN 21 1HG GLN 21 5.209 -6.939 1.725 173 HE21 GLN 21 1HE2 GLN 21 8.025 -4.938 1.010 174 HE22 GLN 21 2HE2 GLN 21 9.141 -6.248 0.886 175 H PHE 22 H PHE 22 3.007 -5.742 3.160 176 HA PHE 22 HA PHE 22 2.852 -3.765 5.195 177 HB2 PHE 22 2HB PHE 22 2.600 -6.799 5.260 178 HB3 PHE 22 1HB PHE 22 2.393 -5.796 6.694 179 HD1 PHE 22 HD1 PHE 22 0.684 -3.788 6.432 180 HD2 PHE 22 HD2 PHE 22 0.659 -7.313 3.987 181 HE1 PHE 22 HE1 PHE 22 -1.670 -3.386 5.873 182 HE2 PHE 22 HE2 PHE 22 -1.693 -6.891 3.440 183 HZ PHE 22 HZ PHE 22 -2.856 -4.933 4.378 184 H ARG 23 H ARG 23 4.471 -3.002 6.306 185 HA ARG 23 HA ARG 23 6.961 -4.497 6.725 186 HB2 ARG 23 2HB ARG 23 7.150 -2.233 5.667 187 HB3 ARG 23 1HB ARG 23 6.426 -1.526 7.106 188 HG2 ARG 23 2HG ARG 23 8.808 -1.233 7.258 189 HG3 ARG 23 1HG ARG 23 8.342 -2.428 8.456 190 HD2 ARG 23 2HD ARG 23 9.070 -4.236 6.912 191 HD3 ARG 23 1HD ARG 23 9.551 -3.016 5.729 192 HE ARG 23 HE ARG 23 10.933 -2.354 7.997 193 HH11 ARG 23 1HH1 ARG 23 10.709 -5.272 6.040 194 HH12 ARG 23 2HH1 ARG 23 12.324 -5.784 6.413 195 HH21 ARG 23 1HH2 ARG 23 13.051 -3.035 8.447 196 HH22 ARG 23 2HH2 ARG 23 13.647 -4.518 7.771 197 H ARG 24 H ARG 24 6.752 -5.633 8.510 198 HA ARG 24 HA ARG 24 5.419 -4.559 10.931 199 HB2 ARG 24 2HB ARG 24 6.223 -7.423 10.221 200 HB3 ARG 24 1HB ARG 24 5.459 -6.931 11.729 201 HG2 ARG 24 2HG ARG 24 3.465 -6.177 10.433 202 HG3 ARG 24 1HG ARG 24 4.222 -6.788 8.959 203 HD2 ARG 24 2HD ARG 24 2.594 -8.410 9.852 204 HD3 ARG 24 1HD ARG 24 4.234 -9.061 9.903 205 HE ARG 24 HE ARG 24 3.479 -7.785 12.365 206 HH11 ARG 24 1HH1 ARG 24 3.190 -10.825 10.597 207 HH12 ARG 24 2HH1 ARG 24 2.948 -11.761 12.035 208 HH21 ARG 24 1HH2 ARG 24 3.169 -9.045 14.212 209 HH22 ARG 24 2HH2 ARG 24 2.936 -10.755 14.077 210 H THR 25 H THR 25 6.938 -3.404 11.999 211 HA THR 25 HA THR 25 9.331 -4.786 12.951 212 HB THR 25 HB THR 25 10.250 -3.691 11.027 213 HG1 THR 25 HG1 THR 25 11.034 -1.820 12.948 214 HG21 THR 25 3HG2 THR 25 8.524 -1.996 10.557 215 HG22 THR 25 1HG2 THR 25 10.127 -1.254 10.622 216 HG23 THR 25 2HG2 THR 25 9.020 -1.080 11.983 217 H GLN 26 H GLN 26 9.732 -4.400 15.024 218 HA GLN 26 HA GLN 26 9.676 -3.648 17.144 219 HB2 GLN 26 2HB GLN 26 9.338 -0.936 15.798 220 HB3 GLN 26 1HB GLN 26 9.762 -1.164 17.489 221 HG2 GLN 26 2HG GLN 26 11.435 -2.004 15.099 222 HG3 GLN 26 1HG GLN 26 11.734 -0.624 16.149 223 HE21 GLN 26 1HE2 GLN 26 12.483 -1.010 18.291 224 HE22 GLN 26 2HE2 GLN 26 13.197 -2.518 18.740 225 H GLY 27 H GLY 27 7.217 -4.593 16.039 226 HA2 GLY 27 2HA GLY 27 5.111 -5.000 16.886 227 HA3 GLY 27 1HA GLY 27 5.386 -3.775 18.115 228 H LYS 28 H LYS 28 6.015 -2.565 15.045 229 HA LYS 28 HA LYS 28 3.384 -1.178 14.897 230 HB2 LYS 28 2HB LYS 28 6.151 -0.232 14.022 231 HB3 LYS 28 1HB LYS 28 4.661 0.699 13.871 232 HG2 LYS 28 2HG LYS 28 4.490 1.058 16.185 233 HG3 LYS 28 1HG LYS 28 5.584 -0.270 16.582 234 HD2 LYS 28 2HD LYS 28 7.474 1.037 15.639 235 HD3 LYS 28 1HD LYS 28 6.374 2.380 15.301 236 HE2 LYS 28 2HE LYS 28 7.707 2.646 17.423 237 HE3 LYS 28 1HE LYS 28 5.960 2.706 17.666 238 HZ1 LYS 28 3HZ LYS 28 5.999 0.430 18.434 239 HZ2 LYS 28 1HZ LYS 28 7.114 1.338 19.325 240 HZ3 LYS 28 2HZ LYS 28 7.653 0.301 18.105 241 H ILE 29 H ILE 29 2.686 -0.596 12.716 242 HA ILE 29 HA ILE 29 3.675 -2.385 10.589 243 HB ILE 29 HB ILE 29 1.630 -3.377 11.497 244 HG12 ILE 29 2HG1 ILE 29 0.253 -3.519 9.411 245 HG13 ILE 29 1HG1 ILE 29 1.127 -2.141 8.748 246 HG21 ILE 29 1HG2 ILE 29 -0.556 -2.245 11.418 247 HG22 ILE 29 2HG2 ILE 29 0.223 -0.766 10.861 248 HG23 ILE 29 3HG2 ILE 29 0.576 -1.393 12.473 249 HD11 ILE 29 3HD1 ILE 29 3.188 -3.447 8.769 250 HD12 ILE 29 1HD1 ILE 29 1.923 -4.241 7.837 251 HD13 ILE 29 2HD1 ILE 29 2.316 -4.822 9.455 252 H PHE 30 H PHE 30 4.047 -1.443 8.716 253 HA PHE 30 HA PHE 30 3.045 1.259 8.067 254 HB2 PHE 30 2HB PHE 30 5.907 0.292 7.572 255 HB3 PHE 30 1HB PHE 30 5.272 1.904 7.260 256 HD1 PHE 30 HD1 PHE 30 4.822 3.464 9.153 257 HD2 PHE 30 HD2 PHE 30 6.628 -0.365 9.810 258 HE1 PHE 30 HE1 PHE 30 5.533 4.172 11.394 259 HE2 PHE 30 HE2 PHE 30 7.335 0.360 12.049 260 HZ PHE 30 HZ PHE 30 6.787 2.627 12.844 261 H LEU 31 H LEU 31 2.081 1.170 6.012 262 HA LEU 31 HA LEU 31 2.623 -1.174 4.335 263 HB2 LEU 31 2HB LEU 31 0.263 -0.383 4.652 264 HB3 LEU 31 1HB LEU 31 0.682 1.116 3.836 265 HG LEU 31 HG LEU 31 1.272 -0.231 1.771 266 HD11 LEU 31 1HD1 LEU 31 0.518 -2.559 1.591 267 HD12 LEU 31 2HD1 LEU 31 0.067 -2.554 3.300 268 HD13 LEU 31 3HD1 LEU 31 1.759 -2.368 2.831 269 HD21 LEU 31 3HD2 LEU 31 -1.021 -0.650 1.045 270 HD22 LEU 31 1HD2 LEU 31 -0.903 0.869 1.933 271 HD23 LEU 31 2HD2 LEU 31 -1.587 -0.557 2.717 272 H GLN 32 H GLN 32 4.610 -0.914 3.420 273 HA GLN 32 HA GLN 32 5.500 1.679 2.431 274 HB2 GLN 32 2HB GLN 32 6.929 -1.012 2.452 275 HB3 GLN 32 1HB GLN 32 7.653 0.527 1.982 276 HG2 GLN 32 2HG GLN 32 7.093 1.356 4.329 277 HG3 GLN 32 1HG GLN 32 6.707 -0.312 4.736 278 HE21 GLN 32 1HE2 GLN 32 8.770 1.439 5.844 279 HE22 GLN 32 2HE2 GLN 32 10.275 0.624 5.591 280 H VAL 33 H VAL 33 4.545 2.238 0.587 281 HA VAL 33 HA VAL 33 4.029 0.577 -1.653 282 HB VAL 33 HB VAL 33 4.596 3.577 -1.727 283 HG11 VAL 33 1HG1 VAL 33 3.206 3.548 -3.778 284 HG12 VAL 33 2HG1 VAL 33 3.003 1.804 -3.626 285 HG13 VAL 33 3HG1 VAL 33 4.602 2.482 -3.944 286 HG21 VAL 33 3HG2 VAL 33 2.821 3.141 -0.065 287 HG22 VAL 33 1HG2 VAL 33 1.911 2.219 -1.264 288 HG23 VAL 33 2HG2 VAL 33 2.165 3.951 -1.489 289 H MET 34 H MET 34 5.651 -0.542 -2.539 290 HA MET 34 HA MET 34 8.397 0.124 -2.260 291 HB2 MET 34 2HB MET 34 7.123 -2.010 -4.029 292 HB3 MET 34 1HB MET 34 8.826 -1.916 -3.581 293 HG2 MET 34 2HG MET 34 6.486 -2.479 -1.740 294 HG3 MET 34 1HG MET 34 7.757 -3.606 -2.220 295 HE1 MET 34 3HE MET 34 10.368 -3.211 -1.510 296 HE2 MET 34 1HE MET 34 10.877 -1.986 -0.349 297 HE3 MET 34 2HE MET 34 10.347 -1.505 -1.960 298 H TRP 35 H TRP 35 9.891 0.195 -4.039 299 HA TRP 35 HA TRP 35 9.274 2.337 -5.865 300 HB2 TRP 35 2HB TRP 35 11.770 2.074 -6.415 301 HB3 TRP 35 1HB TRP 35 11.358 2.504 -4.761 302 HD1 TRP 35 HD1 TRP 35 12.612 -0.584 -6.778 303 HE1 TRP 35 HE1 TRP 35 13.924 -2.090 -5.172 304 HE3 TRP 35 HE3 TRP 35 11.607 1.833 -2.401 305 HZ2 TRP 35 HZ2 TRP 35 14.445 -2.258 -2.411 306 HZ3 TRP 35 HZ3 TRP 35 12.536 0.927 -0.309 307 HH2 TRP 35 HH2 TRP 35 13.930 -1.083 -0.314 308 H LYS 36 H LYS 36 8.555 -0.772 -6.214 309 HA LYS 36 HA LYS 36 9.374 -1.079 -9.036 310 HB2 LYS 36 2HB LYS 36 8.538 -3.194 -7.004 311 HB3 LYS 36 1HB LYS 36 9.062 -3.502 -8.662 312 HG2 LYS 36 2HG LYS 36 11.308 -2.828 -8.180 313 HG3 LYS 36 1HG LYS 36 10.850 -2.148 -6.619 314 HD2 LYS 36 2HD LYS 36 10.750 -5.100 -7.333 315 HD3 LYS 36 1HD LYS 36 12.052 -4.322 -6.434 316 HE2 LYS 36 2HE LYS 36 10.731 -5.276 -4.736 317 HE3 LYS 36 1HE LYS 36 10.187 -3.609 -4.753 318 HZ1 LYS 36 3HZ LYS 36 8.795 -5.845 -6.120 319 HZ2 LYS 36 1HZ LYS 36 8.243 -4.252 -5.986 320 HZ3 LYS 36 2HZ LYS 36 8.361 -5.223 -4.611 321 H TYR 37 H TYR 37 7.795 -1.806 -10.490 322 HA TYR 37 HA TYR 37 4.981 -1.774 -9.649 323 HB2 TYR 37 2HB TYR 37 4.503 -0.352 -11.784 324 HB3 TYR 37 1HB TYR 37 5.084 0.468 -10.348 325 HD1 TYR 37 HD2 TYR 37 6.222 -0.878 -13.646 326 HD2 TYR 37 HD1 TYR 37 7.064 1.829 -10.465 327 HE1 TYR 37 HE2 TYR 37 8.009 0.125 -14.982 328 HE2 TYR 37 HE1 TYR 37 8.865 2.835 -11.801 329 HH TYR 37 HH TYR 37 9.216 2.281 -15.119 330 H LEU 38 H LEU 38 3.521 -2.554 -11.378 331 HA LEU 38 HA LEU 38 4.387 -5.133 -12.193 332 HB2 LEU 38 2HB LEU 38 2.068 -4.616 -11.445 333 HB3 LEU 38 1HB LEU 38 1.814 -3.668 -12.898 334 HG LEU 38 HG LEU 38 2.163 -5.789 -14.260 335 HD11 LEU 38 1HD1 LEU 38 1.975 -7.976 -13.143 336 HD12 LEU 38 2HD1 LEU 38 2.057 -7.180 -11.568 337 HD13 LEU 38 3HD1 LEU 38 3.438 -7.115 -12.663 338 HD21 LEU 38 3HD2 LEU 38 -0.081 -4.931 -13.796 339 HD22 LEU 38 1HD2 LEU 38 -0.140 -5.862 -12.297 340 HD23 LEU 38 2HD2 LEU 38 -0.067 -6.691 -13.852 341 H GLU 39 H GLU 39 4.345 -2.070 -13.792 342 HA GLU 39 HA GLU 39 4.253 -2.869 -16.499 343 HB2 GLU 39 2HB GLU 39 5.768 -0.435 -15.497 344 HB3 GLU 39 1HB GLU 39 4.979 -0.652 -17.049 345 HG2 GLU 39 2HG GLU 39 3.591 -0.327 -14.366 346 HG3 GLU 39 1HG GLU 39 3.759 0.918 -15.603 347 H GLN 40 H GLN 40 6.776 -3.092 -14.123 348 HA GLN 40 HA GLN 40 9.011 -3.485 -15.860 349 HB2 GLN 40 2HB GLN 40 8.522 -4.455 -13.009 350 HB3 GLN 40 1HB GLN 40 10.060 -4.597 -13.862 351 HG2 GLN 40 2HG GLN 40 10.222 -2.154 -14.012 352 HG3 GLN 40 1HG GLN 40 8.667 -1.988 -13.199 353 HE21 GLN 40 1HE2 GLN 40 9.179 -4.116 -11.252 354 HE22 GLN 40 2HE2 GLN 40 10.363 -3.498 -10.157 355 H ALA 41 H ALA 41 9.403 -5.194 -17.149 356 HA ALA 41 HA ALA 41 7.805 -7.576 -17.204 357 HB1 ALA 41 3HB ALA 41 8.847 -6.678 -19.257 358 HB2 ALA 41 1HB ALA 41 9.369 -8.338 -18.961 359 HB3 ALA 41 2HB ALA 41 10.453 -6.994 -18.594 360 H SER 42 H SER 42 10.699 -6.606 -15.559 361 HA SER 42 HA SER 42 11.689 -9.232 -14.866 362 HB2 SER 42 2HB SER 42 13.164 -7.212 -15.125 363 HB3 SER 42 1HB SER 42 12.422 -6.509 -13.688 364 HG SER 42 HG SER 42 13.823 -8.980 -13.803 365 H PHE 43 H PHE 43 8.954 -7.711 -13.859 366 HA PHE 43 HA PHE 43 9.004 -8.073 -11.032 367 HB2 PHE 43 2HB PHE 43 7.395 -6.624 -12.638 368 HB3 PHE 43 1HB PHE 43 6.405 -8.074 -12.597 369 HD1 PHE 43 HD1 PHE 43 7.961 -5.435 -10.482 370 HD2 PHE 43 HD2 PHE 43 5.018 -8.556 -10.646 371 HE1 PHE 43 HE1 PHE 43 7.010 -4.671 -8.356 372 HE2 PHE 43 HE2 PHE 43 4.091 -7.770 -8.520 373 HZ PHE 43 HZ PHE 43 5.080 -5.836 -7.381 374 HA PRO 44 HA PRO 44 8.658 -12.585 -11.472 375 HB2 PRO 44 2HB PRO 44 8.987 -13.325 -8.891 376 HB3 PRO 44 1HB PRO 44 10.307 -12.546 -9.790 377 HG2 PRO 44 2HG PRO 44 8.405 -11.306 -7.813 378 HG3 PRO 44 1HG PRO 44 10.169 -11.109 -7.950 379 HD2 PRO 44 2HD PRO 44 8.355 -9.304 -9.002 380 HD3 PRO 44 1HD PRO 44 9.999 -9.528 -9.631 381 H MET 45 H MET 45 6.266 -10.631 -10.263 382 HA MET 45 HA MET 45 4.400 -12.826 -9.602 383 HB2 MET 45 2HB MET 45 4.239 -9.831 -9.038 384 HB3 MET 45 1HB MET 45 2.975 -10.989 -8.643 385 HG2 MET 45 2HG MET 45 4.321 -12.034 -6.979 386 HG3 MET 45 1HG MET 45 5.776 -11.198 -7.521 387 HE1 MET 45 3HE MET 45 2.275 -8.850 -5.608 388 HE2 MET 45 1HE MET 45 2.125 -10.538 -6.095 389 HE3 MET 45 2HE MET 45 2.340 -9.279 -7.318 390 H ASN 46 H ASN 46 2.735 -13.223 -10.988 391 HA ASN 46 HA ASN 46 2.497 -11.938 -13.529 392 HB2 ASN 46 2HB ASN 46 0.520 -13.805 -12.140 393 HB3 ASN 46 1HB ASN 46 0.487 -13.364 -13.844 394 HD21 ASN 46 1HD2 ASN 46 0.602 -16.003 -12.826 395 HD22 ASN 46 2HD2 ASN 46 2.092 -16.709 -13.343 396 H GLU 47 H GLU 47 0.209 -11.152 -14.250 397 HA GLU 47 HA GLU 47 -0.318 -8.705 -12.930 398 HB2 GLU 47 2HB GLU 47 -2.029 -10.142 -14.997 399 HB3 GLU 47 1HB GLU 47 -2.161 -8.438 -14.553 400 HG2 GLU 47 2HG GLU 47 0.189 -8.094 -15.361 401 HG3 GLU 47 1HG GLU 47 0.211 -9.775 -15.900 402 H THR 48 H THR 48 -2.040 -11.823 -12.938 403 HA THR 48 HA THR 48 -4.255 -11.079 -11.363 404 HB THR 48 HB THR 48 -2.998 -13.858 -11.469 405 HG1 THR 48 HG1 THR 48 -4.760 -12.542 -13.279 406 HG21 THR 48 3HG2 THR 48 -5.886 -13.002 -10.997 407 HG22 THR 48 1HG2 THR 48 -4.776 -13.578 -9.738 408 HG23 THR 48 2HG2 THR 48 -5.290 -14.661 -11.029 409 H GLU 49 H GLU 49 -1.034 -12.401 -10.507 410 HA GLU 49 HA GLU 49 -1.422 -12.763 -7.739 411 HB2 GLU 49 2HB GLU 49 1.196 -12.103 -9.164 412 HB3 GLU 49 1HB GLU 49 1.048 -12.843 -7.569 413 HG2 GLU 49 2HG GLU 49 0.290 -14.062 -10.243 414 HG3 GLU 49 1HG GLU 49 1.613 -14.545 -9.183 415 H TYR 50 H TYR 50 -0.320 -9.990 -9.621 416 HA TYR 50 HA TYR 50 0.377 -8.244 -7.529 417 HB2 TYR 50 2HB TYR 50 1.169 -7.716 -9.731 418 HB3 TYR 50 1HB TYR 50 -0.453 -7.769 -10.419 419 HD1 TYR 50 HD1 TYR 50 1.587 -5.868 -7.894 420 HD2 TYR 50 HD2 TYR 50 -1.632 -5.735 -10.719 421 HE1 TYR 50 HE1 TYR 50 1.316 -3.466 -7.482 422 HE2 TYR 50 HE2 TYR 50 -1.891 -3.334 -10.313 423 HH TYR 50 HH TYR 50 0.319 -1.544 -8.261 424 H GLN 51 H GLN 51 -2.676 -8.647 -9.351 425 HA GLN 51 HA GLN 51 -4.054 -6.514 -8.076 426 HB2 GLN 51 2HB GLN 51 -4.684 -7.282 -10.321 427 HB3 GLN 51 1HB GLN 51 -5.135 -8.863 -9.687 428 HG2 GLN 51 2HG GLN 51 -7.105 -7.429 -10.155 429 HG3 GLN 51 1HG GLN 51 -6.998 -7.890 -8.456 430 HE21 GLN 51 1HE2 GLN 51 -8.174 -6.172 -7.649 431 HE22 GLN 51 2HE2 GLN 51 -7.651 -4.524 -7.724 432 H GLU 52 H GLU 52 -3.942 -10.003 -7.490 433 HA GLU 52 HA GLU 52 -5.885 -10.028 -5.394 434 HB2 GLU 52 2HB GLU 52 -3.753 -12.070 -6.123 435 HB3 GLU 52 1HB GLU 52 -5.069 -12.348 -4.985 436 HG2 GLU 52 2HG GLU 52 -5.328 -11.839 -7.968 437 HG3 GLU 52 1HG GLU 52 -5.575 -13.372 -7.134 438 H HIS 53 H HIS 53 -2.437 -9.405 -5.566 439 HA HIS 53 HA HIS 53 -1.829 -9.647 -2.794 440 HB2 HIS 53 2HB HIS 53 -0.069 -9.517 -4.606 441 HB3 HIS 53 1HB HIS 53 -0.474 -7.818 -4.840 442 HD1 HIS 53 HD1 HIS 53 1.135 -10.178 -2.397 443 HD2 HIS 53 HD2 HIS 53 0.644 -6.083 -2.921 444 HE1 HIS 53 HE1 HIS 53 2.623 -9.084 -0.701 445 HE2 HIS 53 HE2 HIS 53 2.224 -6.623 -0.959 446 H LEU 54 H LEU 54 -2.839 -6.927 -4.886 447 HA LEU 54 HA LEU 54 -2.946 -4.915 -2.888 448 HB2 LEU 54 2HB LEU 54 -4.519 -5.131 -5.474 449 HB3 LEU 54 1HB LEU 54 -4.402 -3.681 -4.487 450 HG LEU 54 HG LEU 54 -2.155 -5.004 -6.046 451 HD11 LEU 54 1HD1 LEU 54 -3.598 -2.379 -6.404 452 HD12 LEU 54 2HD1 LEU 54 -3.694 -3.801 -7.446 453 HD13 LEU 54 3HD1 LEU 54 -2.188 -2.900 -7.322 454 HD21 LEU 54 3HD2 LEU 54 -0.721 -3.123 -5.346 455 HD22 LEU 54 1HD2 LEU 54 -1.218 -4.094 -3.963 456 HD23 LEU 54 2HD2 LEU 54 -1.992 -2.536 -4.269 457 H ASP 55 H ASP 55 -5.295 -7.281 -4.034 458 HA ASP 55 HA ASP 55 -7.589 -6.232 -2.714 459 HB2 ASP 55 2HB ASP 55 -7.508 -7.881 -4.712 460 HB3 ASP 55 1HB ASP 55 -7.172 -9.143 -3.532 461 H SER 56 H SER 56 -5.136 -8.654 -1.918 462 HA SER 56 HA SER 56 -6.285 -9.548 0.536 463 HB2 SER 56 2HB SER 56 -4.667 -10.895 -0.853 464 HB3 SER 56 1HB SER 56 -3.381 -9.791 -0.361 465 HG SER 56 HG SER 56 -3.354 -11.511 1.028 466 H VAL 57 H VAL 57 -3.867 -7.104 -0.319 467 HA VAL 57 HA VAL 57 -3.075 -6.345 2.282 468 HB VAL 57 HB VAL 57 -3.006 -4.839 -0.375 469 HG11 VAL 57 1HG1 VAL 57 -1.586 -3.114 0.728 470 HG12 VAL 57 2HG1 VAL 57 -1.913 -3.864 2.290 471 HG13 VAL 57 3HG1 VAL 57 -3.227 -3.128 1.374 472 HG21 VAL 57 3HG2 VAL 57 -1.398 -6.724 -0.139 473 HG22 VAL 57 1HG2 VAL 57 -0.759 -5.995 1.333 474 HG23 VAL 57 2HG2 VAL 57 -0.552 -5.178 -0.219 475 H ALA 58 H ALA 58 -5.520 -5.018 0.058 476 HA ALA 58 HA ALA 58 -6.537 -2.977 1.696 477 HB1 ALA 58 3HB ALA 58 -7.903 -4.458 -0.564 478 HB2 ALA 58 1HB ALA 58 -6.860 -3.044 -0.730 479 HB3 ALA 58 2HB ALA 58 -8.407 -2.903 0.105 480 H ASN 59 H ASN 59 -7.251 -6.405 1.539 481 HA ASN 59 HA ASN 59 -9.653 -6.466 3.069 482 HB2 ASN 59 2HB ASN 59 -8.832 -8.374 1.639 483 HB3 ASN 59 1HB ASN 59 -7.543 -8.665 2.804 484 HD21 ASN 59 1HD2 ASN 59 -8.152 -10.646 3.589 485 HD22 ASN 59 2HD2 ASN 59 -9.678 -10.989 4.320 486 H TYR 60 H TYR 60 -6.203 -6.936 3.920 487 HA TYR 60 HA TYR 60 -6.532 -7.182 6.721 488 HB2 TYR 60 2HB TYR 60 -4.194 -6.544 4.936 489 HB3 TYR 60 1HB TYR 60 -4.017 -6.254 6.663 490 HD1 TYR 60 HD1 TYR 60 -4.999 -8.332 8.126 491 HD2 TYR 60 HD2 TYR 60 -3.309 -8.610 4.203 492 HE1 TYR 60 HE1 TYR 60 -4.401 -10.664 8.561 493 HE2 TYR 60 HE2 TYR 60 -2.711 -10.963 4.631 494 HH TYR 60 HH TYR 60 -2.229 -12.390 6.713 495 H LEU 61 H LEU 61 -6.043 -4.368 4.632 496 HA LEU 61 HA LEU 61 -5.658 -2.411 6.624 497 HB2 LEU 61 2HB LEU 61 -6.765 -2.163 3.810 498 HB3 LEU 61 1HB LEU 61 -6.331 -0.796 4.818 499 HG LEU 61 HG LEU 61 -4.397 -2.897 3.781 500 HD11 LEU 61 1HD1 LEU 61 -3.495 -1.125 2.367 501 HD12 LEU 61 2HD1 LEU 61 -4.740 -0.012 2.940 502 HD13 LEU 61 3HD1 LEU 61 -5.191 -1.437 1.999 503 HD21 LEU 61 3HD2 LEU 61 -2.612 -1.464 4.681 504 HD22 LEU 61 1HD2 LEU 61 -3.664 -2.070 5.960 505 HD23 LEU 61 2HD2 LEU 61 -3.822 -0.399 5.406 506 H HIS 62 H HIS 62 -8.558 -3.790 5.178 507 HA HIS 62 HA HIS 62 -10.482 -2.108 6.459 508 HB2 HIS 62 2HB HIS 62 -11.114 -3.339 4.456 509 HB3 HIS 62 1HB HIS 62 -10.693 -4.872 5.204 510 HD1 HIS 62 HD1 HIS 62 -12.539 -6.102 6.364 511 HD2 HIS 62 HD2 HIS 62 -13.505 -2.123 5.699 512 HE1 HIS 62 HE1 HIS 62 -14.932 -5.863 7.053 513 HE2 HIS 62 HE2 HIS 62 -15.485 -3.438 6.691 514 H ALA 63 H ALA 63 -8.958 -5.204 7.252 515 HA ALA 63 HA ALA 63 -10.629 -5.907 9.463 516 HB1 ALA 63 3HB ALA 63 -9.358 -7.581 8.162 517 HB2 ALA 63 1HB ALA 63 -8.963 -7.677 9.880 518 HB3 ALA 63 2HB ALA 63 -7.843 -6.901 8.756 519 H LEU 64 H LEU 64 -7.638 -4.106 9.142 520 HA LEU 64 HA LEU 64 -7.136 -4.015 12.028 521 HB2 LEU 64 2HB LEU 64 -5.483 -2.911 9.726 522 HB3 LEU 64 1HB LEU 64 -4.981 -3.006 11.406 523 HG LEU 64 HG LEU 64 -5.453 -5.378 9.550 524 HD11 LEU 64 1HD1 LEU 64 -3.406 -4.169 8.997 525 HD12 LEU 64 2HD1 LEU 64 -3.037 -5.748 9.686 526 HD13 LEU 64 3HD1 LEU 64 -2.854 -4.291 10.671 527 HD21 LEU 64 3HD2 LEU 64 -4.536 -5.383 12.444 528 HD22 LEU 64 1HD2 LEU 64 -4.587 -6.787 11.372 529 HD23 LEU 64 2HD2 LEU 64 -6.082 -5.977 11.830 530 H GLY 65 H GLY 65 -8.423 -2.057 9.479 531 HA2 GLY 65 2HA GLY 65 -9.517 -0.015 9.610 532 HA3 GLY 65 1HA GLY 65 -8.903 0.217 11.241 533 H GLY 66 H GLY 66 -6.676 -0.680 8.748 534 HA2 GLY 66 2HA GLY 66 -5.295 1.906 8.933 535 HA3 GLY 66 1HA GLY 66 -4.633 0.399 8.321 536 H ALA 67 H ALA 67 -7.658 0.772 6.945 537 HA ALA 67 HA ALA 67 -6.561 1.137 4.335 538 HB1 ALA 67 3HB ALA 67 -8.879 0.978 3.563 539 HB2 ALA 67 1HB ALA 67 -9.462 1.159 5.217 540 HB3 ALA 67 2HB ALA 67 -8.530 -0.267 4.761 541 H VAL 68 H VAL 68 -8.712 3.172 6.322 542 HA VAL 68 HA VAL 68 -8.752 5.424 4.594 543 HB VAL 68 HB VAL 68 -9.244 5.351 7.615 544 HG11 VAL 68 1HG1 VAL 68 -10.620 7.375 7.275 545 HG12 VAL 68 2HG1 VAL 68 -10.209 7.375 5.558 546 HG13 VAL 68 3HG1 VAL 68 -8.953 7.660 6.764 547 HG21 VAL 68 3HG2 VAL 68 -10.683 3.728 6.433 548 HG22 VAL 68 1HG2 VAL 68 -11.247 5.001 5.352 549 HG23 VAL 68 2HG2 VAL 68 -11.639 5.066 7.073 550 H GLN 69 H GLN 69 -6.509 4.326 7.097 551 HA GLN 69 HA GLN 69 -4.973 6.674 7.462 552 HB2 GLN 69 2HB GLN 69 -4.107 3.758 7.665 553 HB3 GLN 69 1HB GLN 69 -3.142 5.121 8.230 554 HG2 GLN 69 2HG GLN 69 -5.889 4.371 9.277 555 HG3 GLN 69 1HG GLN 69 -4.360 3.968 10.059 556 HE21 GLN 69 1HE2 GLN 69 -6.588 5.557 11.066 557 HE22 GLN 69 2HE2 GLN 69 -5.936 7.092 11.497 558 H VAL 70 H VAL 70 -4.620 3.979 5.151 559 HA VAL 70 HA VAL 70 -2.289 4.871 3.825 560 HB VAL 70 HB VAL 70 -4.532 3.085 2.795 561 HG11 VAL 70 1HG1 VAL 70 -1.750 3.455 1.620 562 HG12 VAL 70 2HG1 VAL 70 -3.254 3.990 0.879 563 HG13 VAL 70 3HG1 VAL 70 -2.938 2.267 1.079 564 HG21 VAL 70 3HG2 VAL 70 -3.022 1.214 3.350 565 HG22 VAL 70 1HG2 VAL 70 -3.392 2.179 4.780 566 HG23 VAL 70 2HG2 VAL 70 -1.831 2.354 3.980 567 H LYS 71 H LYS 71 -5.740 5.268 3.043 568 HA LYS 71 HA LYS 71 -5.398 6.626 0.603 569 HB2 LYS 71 2HB LYS 71 -7.765 6.541 2.509 570 HB3 LYS 71 1HB LYS 71 -7.826 7.268 0.910 571 HG2 LYS 71 2HG LYS 71 -7.129 5.015 -0.037 572 HG3 LYS 71 1HG LYS 71 -7.362 4.347 1.579 573 HD2 LYS 71 2HD LYS 71 -9.344 3.915 0.234 574 HD3 LYS 71 1HD LYS 71 -9.748 5.080 1.497 575 HE2 LYS 71 2HE LYS 71 -9.531 6.926 -0.169 576 HE3 LYS 71 1HE LYS 71 -9.171 5.735 -1.419 577 HZ1 LYS 71 3HZ LYS 71 -11.360 4.762 -1.050 578 HZ2 LYS 71 1HZ LYS 71 -11.465 6.388 -1.502 579 HZ3 LYS 71 2HZ LYS 71 -11.702 5.946 0.112 580 H THR 72 H THR 72 -5.936 7.857 3.896 581 HA THR 72 HA THR 72 -6.068 10.613 3.281 582 HB THR 72 HB THR 72 -5.289 9.246 5.892 583 HG1 THR 72 HG1 THR 72 -7.444 8.868 4.993 584 HG21 THR 72 3HG2 THR 72 -5.874 11.364 7.023 585 HG22 THR 72 1HG2 THR 72 -6.158 12.125 5.457 586 HG23 THR 72 2HG2 THR 72 -4.531 11.611 5.900 587 H PHE 73 H PHE 73 -3.357 8.497 4.261 588 HA PHE 73 HA PHE 73 -1.392 10.492 4.566 589 HB2 PHE 73 2HB PHE 73 -1.159 8.183 5.467 590 HB3 PHE 73 1HB PHE 73 -1.002 7.556 3.831 591 HD1 PHE 73 HD2 PHE 73 0.650 9.699 6.396 592 HD2 PHE 73 HD1 PHE 73 1.143 7.602 2.695 593 HE1 PHE 73 HE2 PHE 73 3.085 10.040 6.508 594 HE2 PHE 73 HE1 PHE 73 3.568 7.949 2.827 595 HZ PHE 73 HZ PHE 73 4.541 9.164 4.725 596 H ILE 74 H ILE 74 -2.224 8.425 1.766 597 HA ILE 74 HA ILE 74 -0.212 9.420 0.020 598 HB ILE 74 HB ILE 74 -2.737 7.799 -0.501 599 HG12 ILE 74 2HG1 ILE 74 0.229 7.085 -0.409 600 HG13 ILE 74 1HG1 ILE 74 -1.014 6.577 0.725 601 HG21 ILE 74 1HG2 ILE 74 -1.959 7.355 -2.801 602 HG22 ILE 74 2HG2 ILE 74 -0.624 8.485 -2.571 603 HG23 ILE 74 3HG2 ILE 74 -2.286 9.074 -2.564 604 HD11 ILE 74 3HD1 ILE 74 -0.378 4.750 -0.703 605 HD12 ILE 74 1HD1 ILE 74 -0.736 5.693 -2.150 606 HD13 ILE 74 2HD1 ILE 74 -2.037 5.218 -1.057 607 H THR 75 H THR 75 -3.501 10.517 0.733 608 HA THR 75 HA THR 75 -3.741 12.409 -1.381 609 HB THR 75 HB THR 75 -5.024 12.536 1.381 610 HG1 THR 75 HG1 THR 75 -5.329 10.705 -0.450 611 HG21 THR 75 3HG2 THR 75 -6.800 13.869 0.274 612 HG22 THR 75 1HG2 THR 75 -5.902 13.808 -1.245 613 HG23 THR 75 2HG2 THR 75 -5.234 14.674 0.140 614 H GLN 76 H GLN 76 -2.306 12.536 1.856 615 HA GLN 76 HA GLN 76 -1.834 15.390 1.872 616 HB2 GLN 76 2HB GLN 76 -0.860 13.184 3.739 617 HB3 GLN 76 1HB GLN 76 -0.624 14.909 4.027 618 HG2 GLN 76 2HG GLN 76 -3.050 15.233 4.164 619 HG3 GLN 76 1HG GLN 76 -3.321 13.527 3.826 620 HE21 GLN 76 1HE2 GLN 76 -2.669 11.972 5.422 621 HE22 GLN 76 2HE2 GLN 76 -2.505 12.436 7.078 622 H THR 77 H THR 77 0.451 12.615 2.051 623 HA THR 77 HA THR 77 2.759 14.080 1.436 624 HB THR 77 HB THR 77 2.793 11.801 2.541 625 HG1 THR 77 HG1 THR 77 4.815 11.633 1.889 626 HG21 THR 77 3HG2 THR 77 2.475 10.728 -0.293 627 HG22 THR 77 1HG2 THR 77 1.289 10.539 1.000 628 HG23 THR 77 2HG2 THR 77 2.871 9.768 1.132 629 H LYS 78 H LYS 78 3.750 14.580 -0.459 630 HA LYS 78 HA LYS 78 2.509 13.732 -3.020 631 HB2 LYS 78 2HB LYS 78 4.086 16.284 -2.450 632 HB3 LYS 78 1HB LYS 78 3.311 15.860 -3.978 633 HG2 LYS 78 2HG LYS 78 1.093 15.885 -2.798 634 HG3 LYS 78 1HG LYS 78 1.911 16.448 -1.341 635 HD2 LYS 78 2HD LYS 78 0.911 18.360 -2.431 636 HD3 LYS 78 1HD LYS 78 2.660 18.481 -2.618 637 HE2 LYS 78 2HE LYS 78 2.522 17.799 -4.936 638 HE3 LYS 78 1HE LYS 78 0.819 17.376 -4.763 639 HZ1 LYS 78 3HZ LYS 78 1.084 19.495 -5.876 640 HZ2 LYS 78 1HZ LYS 78 1.948 20.110 -4.557 641 HZ3 LYS 78 2HZ LYS 78 0.317 19.709 -4.384 642 H GLU 79 H GLU 79 4.752 12.671 -1.162 643 HA GLU 79 HA GLU 79 7.177 12.651 -2.713 644 HB2 GLU 79 2HB GLU 79 6.224 10.895 -0.406 645 HB3 GLU 79 1HB GLU 79 7.857 10.847 -1.073 646 HG2 GLU 79 2HG GLU 79 8.302 13.100 -0.327 647 HG3 GLU 79 1HG GLU 79 6.620 13.327 0.166 648 H ARG 80 H ARG 80 8.036 10.867 -3.857 649 HA ARG 80 HA ARG 80 6.045 8.950 -4.924 650 HB2 ARG 80 2HB ARG 80 8.293 10.437 -6.339 651 HB3 ARG 80 1HB ARG 80 7.526 9.012 -7.043 652 HG2 ARG 80 2HG ARG 80 5.343 10.160 -6.920 653 HG3 ARG 80 1HG ARG 80 6.131 11.592 -6.303 654 HD2 ARG 80 2HD ARG 80 7.262 11.952 -8.386 655 HD3 ARG 80 1HD ARG 80 6.819 10.346 -8.975 656 HE ARG 80 HE ARG 80 4.565 12.049 -8.365 657 HH11 ARG 80 1HH1 ARG 80 6.864 11.159 -10.885 658 HH12 ARG 80 2HH1 ARG 80 5.825 11.676 -12.176 659 HH21 ARG 80 1HH2 ARG 80 3.207 12.676 -10.068 660 HH22 ARG 80 2HH2 ARG 80 3.750 12.537 -11.710 661 HA PRO 81 HA PRO 81 8.874 5.624 -3.750 662 HB2 PRO 81 2HB PRO 81 7.635 3.984 -5.895 663 HB3 PRO 81 1HB PRO 81 7.577 3.741 -4.137 664 HG2 PRO 81 2HG PRO 81 5.402 4.511 -5.550 665 HG3 PRO 81 1HG PRO 81 5.686 5.024 -3.873 666 HD2 PRO 81 2HD PRO 81 6.130 6.602 -6.414 667 HD3 PRO 81 1HD PRO 81 5.459 7.124 -4.854 668 H ARG 82 H ARG 82 10.948 5.505 -4.383 669 HA ARG 82 HA ARG 82 11.754 5.477 -7.223 670 HB2 ARG 82 2HB ARG 82 11.743 7.862 -6.362 671 HB3 ARG 82 1HB ARG 82 12.906 7.384 -5.129 672 HG2 ARG 82 2HG ARG 82 14.547 6.835 -6.893 673 HG3 ARG 82 1HG ARG 82 13.372 7.290 -8.128 674 HD2 ARG 82 2HD ARG 82 13.373 9.610 -7.277 675 HD3 ARG 82 1HD ARG 82 14.544 9.152 -6.034 676 HE ARG 82 HE ARG 82 15.615 8.442 -8.525 677 HH11 ARG 82 1HH1 ARG 82 14.800 11.418 -6.815 678 HH12 ARG 82 2HH1 ARG 82 16.009 12.354 -7.633 679 HH21 ARG 82 1HH2 ARG 82 17.189 9.699 -9.584 680 HH22 ARG 82 2HH2 ARG 82 17.361 11.383 -9.200 681 H LEU 83 H LEU 83 13.941 4.540 -7.493 682 HA LEU 83 HA LEU 83 14.136 2.108 -6.228 683 HB2 LEU 83 2HB LEU 83 15.202 2.749 -8.393 684 HB3 LEU 83 1HB LEU 83 16.447 3.613 -7.509 685 HG LEU 83 HG LEU 83 17.196 1.436 -6.492 686 HD11 LEU 83 1HD1 LEU 83 15.173 0.165 -8.354 687 HD12 LEU 83 2HD1 LEU 83 15.120 0.178 -6.590 688 HD13 LEU 83 3HD1 LEU 83 16.401 -0.699 -7.422 689 HD21 LEU 83 3HD2 LEU 83 17.188 1.458 -9.530 690 HD22 LEU 83 1HD2 LEU 83 18.289 0.532 -8.501 691 HD23 LEU 83 2HD2 LEU 83 18.337 2.291 -8.481 692 H GLY 84 H GLY 84 14.669 1.477 -4.230 693 HA2 GLY 84 2HA GLY 84 16.064 1.146 -2.376 694 HA3 GLY 84 1HA GLY 84 16.943 2.609 -2.758 695 H LYS 85 H LYS 85 13.930 3.660 -2.965 696 HA LYS 85 HA LYS 85 13.629 4.453 -0.127 697 HB2 LYS 85 2HB LYS 85 13.441 6.213 -2.604 698 HB3 LYS 85 1HB LYS 85 13.056 6.743 -0.969 699 HG2 LYS 85 2HG LYS 85 15.337 6.575 -0.267 700 HG3 LYS 85 1HG LYS 85 15.801 5.684 -1.718 701 HD2 LYS 85 2HD LYS 85 14.865 8.582 -1.710 702 HD3 LYS 85 1HD LYS 85 16.556 8.080 -1.690 703 HE2 LYS 85 2HE LYS 85 14.565 7.435 -3.901 704 HE3 LYS 85 1HE LYS 85 15.815 8.681 -3.968 705 HZ1 LYS 85 3HZ LYS 85 16.313 5.768 -3.659 706 HZ2 LYS 85 1HZ LYS 85 17.499 6.971 -3.752 707 HZ3 LYS 85 2HZ LYS 85 16.507 6.653 -5.082 708 H ALA 86 H ALA 86 11.752 3.405 0.440 709 HA ALA 86 HA ALA 86 9.447 3.266 -1.402 710 HB1 ALA 86 3HB ALA 86 10.183 1.167 -0.312 711 HB2 ALA 86 1HB ALA 86 8.536 1.600 0.161 712 HB3 ALA 86 2HB ALA 86 9.881 1.880 1.274 713 H VAL 87 H VAL 87 7.467 4.213 -0.951 714 HA VAL 87 HA VAL 87 7.305 6.320 1.024 715 HB VAL 87 HB VAL 87 5.106 5.197 -0.784 716 HG11 VAL 87 1HG1 VAL 87 5.110 7.788 0.830 717 HG12 VAL 87 2HG1 VAL 87 4.129 6.363 1.171 718 HG13 VAL 87 3HG1 VAL 87 3.852 7.288 -0.306 719 HG21 VAL 87 3HG2 VAL 87 6.964 6.172 -2.085 720 HG22 VAL 87 1HG2 VAL 87 6.844 7.672 -1.159 721 HG23 VAL 87 2HG2 VAL 87 5.519 7.176 -2.216 722 H SER 88 H SER 88 7.535 5.375 2.998 723 HA SER 88 HA SER 88 6.072 3.042 3.858 724 HB2 SER 88 2HB SER 88 8.409 3.517 4.596 725 HB3 SER 88 1HB SER 88 7.837 4.941 5.467 726 HG SER 88 HG SER 88 6.927 3.685 6.949 727 H ILE 89 H ILE 89 3.959 3.258 4.251 728 HA ILE 89 HA ILE 89 2.784 5.772 5.187 729 HB ILE 89 HB ILE 89 1.489 3.137 4.369 730 HG12 ILE 89 2HG1 ILE 89 1.730 5.718 2.755 731 HG13 ILE 89 1HG1 ILE 89 2.736 4.294 2.517 732 HG21 ILE 89 1HG2 ILE 89 0.020 4.404 5.881 733 HG22 ILE 89 2HG2 ILE 89 -0.632 4.387 4.245 734 HG23 ILE 89 3HG2 ILE 89 0.169 5.834 4.856 735 HD11 ILE 89 3HD1 ILE 89 0.748 3.005 1.920 736 HD12 ILE 89 1HD1 ILE 89 1.002 4.396 0.866 737 HD13 ILE 89 2HD1 ILE 89 -0.241 4.457 2.115 738 HA PRO 90 HA PRO 90 2.899 3.907 9.431 739 HB2 PRO 90 2HB PRO 90 2.046 6.654 10.234 740 HB3 PRO 90 1HB PRO 90 3.465 5.729 10.766 741 HG2 PRO 90 2HG PRO 90 3.752 7.850 9.164 742 HG3 PRO 90 1HG PRO 90 4.764 6.400 8.953 743 HD2 PRO 90 2HD PRO 90 2.296 7.197 7.403 744 HD3 PRO 90 1HD PRO 90 3.866 6.629 6.792 745 H LEU 91 H LEU 91 1.149 2.643 9.725 746 HA LEU 91 HA LEU 91 -1.573 3.621 9.316 747 HB2 LEU 91 2HB LEU 91 -0.617 0.893 10.285 748 HB3 LEU 91 1HB LEU 91 -2.243 1.302 9.755 749 HG LEU 91 HG LEU 91 0.248 1.132 8.008 750 HD11 LEU 91 1HD1 LEU 91 -0.932 -0.719 6.905 751 HD12 LEU 91 2HD1 LEU 91 -2.257 -0.566 8.064 752 HD13 LEU 91 3HD1 LEU 91 -0.649 -1.040 8.615 753 HD21 LEU 91 3HD2 LEU 91 -2.567 1.957 7.211 754 HD22 LEU 91 1HD2 LEU 91 -1.242 1.623 6.090 755 HD23 LEU 91 2HD2 LEU 91 -1.127 2.981 7.206 756 H ASP 92 H ASP 92 -2.255 4.946 10.966 757 HA ASP 92 HA ASP 92 -1.606 4.486 13.728 758 HB2 ASP 92 2HB ASP 92 -2.267 6.775 12.981 759 HB3 ASP 92 1HB ASP 92 -3.890 6.189 12.623 760 H LEU 93 H LEU 93 -2.124 2.394 14.155 761 HA LEU 93 HA LEU 93 -4.998 1.753 14.403 762 HB2 LEU 93 2HB LEU 93 -2.643 -0.126 14.814 763 HB3 LEU 93 1HB LEU 93 -4.341 -0.562 14.691 764 HG LEU 93 HG LEU 93 -2.535 0.421 12.443 765 HD11 LEU 93 1HD1 LEU 93 -3.903 -2.245 12.860 766 HD12 LEU 93 2HD1 LEU 93 -2.179 -1.905 13.027 767 HD13 LEU 93 3HD1 LEU 93 -2.947 -1.777 11.448 768 HD21 LEU 93 3HD2 LEU 93 -4.473 0.107 10.922 769 HD22 LEU 93 1HD2 LEU 93 -4.729 1.411 12.081 770 HD23 LEU 93 2HD2 LEU 93 -5.518 -0.150 12.322 771 H GLY 94 H GLY 94 -3.041 3.591 15.985 772 HA2 GLY 94 2HA GLY 94 -2.941 2.578 18.643 773 HA3 GLY 94 1HA GLY 94 -2.827 4.265 18.154 774 H GLU 95 H GLU 95 -5.147 4.867 17.012 775 HA GLU 95 HA GLU 95 -7.175 4.460 19.094 776 HB2 GLU 95 2HB GLU 95 -7.080 6.440 16.784 777 HB3 GLU 95 1HB GLU 95 -8.318 6.398 18.039 778 HG2 GLU 95 2HG GLU 95 -5.368 7.052 18.404 779 HG3 GLU 95 1HG GLU 95 -6.728 8.163 18.536 780 H ARG 96 H ARG 96 -6.629 3.915 15.616 781 HA ARG 96 HA ARG 96 -9.370 3.344 14.983 782 HB2 ARG 96 2HB ARG 96 -6.838 2.913 13.370 783 HB3 ARG 96 1HB ARG 96 -8.459 2.634 12.733 784 HG2 ARG 96 2HG ARG 96 -7.390 5.296 13.735 785 HG3 ARG 96 1HG ARG 96 -7.555 4.818 12.044 786 HD2 ARG 96 2HD ARG 96 -9.997 4.679 12.303 787 HD3 ARG 96 1HD ARG 96 -9.856 5.090 14.014 788 HE ARG 96 HE ARG 96 -8.626 7.125 12.546 789 HH11 ARG 96 1HH1 ARG 96 -11.891 5.854 12.976 790 HH12 ARG 96 2HH1 ARG 96 -12.649 7.378 12.650 791 HH21 ARG 96 1HH2 ARG 96 -9.638 9.101 12.124 792 HH22 ARG 96 2HH2 ARG 96 -11.371 9.221 12.167 793 H ALA 97 H ALA 97 -6.948 1.351 16.375 794 HA ALA 97 HA ALA 97 -7.861 -1.154 15.289 795 HB1 ALA 97 3HB ALA 97 -5.581 -0.921 16.197 796 HB2 ALA 97 1HB ALA 97 -6.471 -2.228 16.981 797 HB3 ALA 97 2HB ALA 97 -6.246 -0.688 17.815 798 H SER 98 H SER 98 -9.165 0.974 17.623 799 HA SER 98 HA SER 98 -10.178 -0.902 19.497 800 HB2 SER 98 2HB SER 98 -9.723 1.519 19.992 801 HB3 SER 98 1HB SER 98 -11.110 1.957 18.998 802 HG SER 98 HG SER 98 -11.007 1.058 21.564 803 H GLU 99 H GLU 99 -11.257 -0.208 16.338 804 HA GLU 99 HA GLU 99 -14.038 -0.759 16.652 805 HB2 GLU 99 2HB GLU 99 -14.058 -1.109 14.200 806 HB3 GLU 99 1HB GLU 99 -13.234 0.381 14.648 807 HG2 GLU 99 2HG GLU 99 -11.046 -0.700 14.305 808 HG3 GLU 99 1HG GLU 99 -11.849 -2.217 13.906 809 H TRP 100 H TRP 100 -11.170 -2.796 16.038 810 HA TRP 100 HA TRP 100 -12.859 -5.228 15.952 811 HB2 TRP 100 2HB TRP 100 -10.925 -6.345 14.856 812 HB3 TRP 100 1HB TRP 100 -11.525 -4.972 13.946 813 HD1 TRP 100 HD1 TRP 100 -9.941 -2.666 14.160 814 HE1 TRP 100 HE1 TRP 100 -7.395 -2.487 14.206 815 HE3 TRP 100 HE3 TRP 100 -8.828 -7.427 15.602 816 HZ2 TRP 100 HZ2 TRP 100 -5.189 -4.109 14.784 817 HZ3 TRP 100 HZ3 TRP 100 -6.459 -8.038 15.882 818 HH2 TRP 100 HH2 TRP 100 -4.674 -6.414 15.482 819 H ILE 101 H ILE 101 -10.437 -3.623 17.875 820 HA ILE 101 HA ILE 101 -9.938 -5.851 19.639 821 HB ILE 101 HB ILE 101 -9.458 -2.857 19.854 822 HG12 ILE 101 2HG1 ILE 101 -7.113 -3.498 20.294 823 HG13 ILE 101 1HG1 ILE 101 -7.569 -5.192 20.384 824 HG21 ILE 101 1HG2 ILE 101 -8.642 -3.041 22.195 825 HG22 ILE 101 2HG2 ILE 101 -9.254 -4.695 22.262 826 HG23 ILE 101 3HG2 ILE 101 -10.378 -3.350 22.073 827 HD11 ILE 101 3HD1 ILE 101 -6.429 -4.651 18.327 828 HD12 ILE 101 1HD1 ILE 101 -7.674 -3.470 17.930 829 HD13 ILE 101 2HD1 ILE 101 -8.081 -5.186 18.015 830 H ILE 102 H ILE 102 -11.829 -6.812 20.200 831 HA ILE 102 HA ILE 102 -13.722 -5.267 21.903 832 HB ILE 102 HB ILE 102 -14.361 -7.757 20.237 833 HG12 ILE 102 2HG1 ILE 102 -14.155 -5.770 18.769 834 HG13 ILE 102 1HG1 ILE 102 -15.835 -6.281 18.862 835 HG21 ILE 102 1HG2 ILE 102 -16.191 -6.084 21.993 836 HG22 ILE 102 2HG2 ILE 102 -15.647 -7.727 22.324 837 HG23 ILE 102 3HG2 ILE 102 -16.719 -7.415 20.958 838 HD11 ILE 102 3HD1 ILE 102 -16.264 -4.443 20.466 839 HD12 ILE 102 1HD1 ILE 102 -15.678 -3.889 18.897 840 HD13 ILE 102 2HD1 ILE 102 -14.584 -3.929 20.275 841 H LEU 103 H LEU 103 -12.659 -5.649 23.813 842 HA LEU 103 HA LEU 103 -11.657 -8.283 24.554 843 HB2 LEU 103 2HB LEU 103 -11.660 -5.620 26.038 844 HB3 LEU 103 1HB LEU 103 -10.858 -7.075 26.606 845 HG LEU 103 HG LEU 103 -10.124 -5.526 24.084 846 HD11 LEU 103 1HD1 LEU 103 -9.515 -4.300 26.116 847 HD12 LEU 103 2HD1 LEU 103 -8.085 -4.874 25.263 848 HD13 LEU 103 3HD1 LEU 103 -8.636 -5.707 26.722 849 HD21 LEU 103 3HD2 LEU 103 -9.684 -7.910 23.800 850 HD22 LEU 103 1HD2 LEU 103 -8.791 -7.959 25.324 851 HD23 LEU 103 2HD2 LEU 103 -8.173 -7.024 23.960 852 H GLU 104 H GLU 104 -13.273 -9.678 25.105 853 HA GLU 104 HA GLU 104 -15.389 -8.826 27.011 854 HB2 GLU 104 2HB GLU 104 -15.341 -11.178 25.062 855 HB3 GLU 104 1HB GLU 104 -16.656 -10.816 26.176 856 HG2 GLU 104 2HG GLU 104 -15.739 -9.068 23.868 857 HG3 GLU 104 1HG GLU 104 -17.180 -10.082 23.894 Start of MODEL 16 1 H1 MET 1 1H MET 1 -12.064 -0.827 1.236 2 H2 MET 1 2H MET 1 -13.180 -0.500 0.013 3 H3 MET 1 3H MET 1 -12.366 0.770 0.773 4 HA MET 1 HA MET 1 -11.480 0.323 -1.422 5 HB2 MET 1 2HB MET 1 -9.983 1.228 0.354 6 HB3 MET 1 1HB MET 1 -9.577 -0.407 0.857 7 HG2 MET 1 2HG MET 1 -8.589 -0.791 -1.421 8 HG3 MET 1 1HG MET 1 -8.879 0.909 -1.780 9 HE1 MET 1 3HE MET 1 -6.443 2.650 0.815 10 HE2 MET 1 1HE MET 1 -8.150 2.296 1.075 11 HE3 MET 1 2HE MET 1 -7.606 2.934 -0.479 12 H THR 2 H THR 2 -11.655 -1.268 -2.914 13 HA THR 2 HA THR 2 -11.052 -4.068 -2.316 14 HB THR 2 HB THR 2 -11.586 -4.475 -4.704 15 HG1 THR 2 HG1 THR 2 -12.520 -2.258 -5.639 16 HG21 THR 2 3HG2 THR 2 -13.510 -4.365 -3.158 17 HG22 THR 2 1HG2 THR 2 -13.935 -3.751 -4.761 18 HG23 THR 2 2HG2 THR 2 -13.640 -2.625 -3.436 19 H GLY 3 H GLY 3 -9.449 -5.176 -3.905 20 HA2 GLY 3 2HA GLY 3 -6.877 -4.000 -3.964 21 HA3 GLY 3 1HA GLY 3 -7.390 -5.383 -4.921 22 H GLN 4 H GLN 4 -9.542 -3.911 -6.235 23 HA GLN 4 HA GLN 4 -8.253 -2.695 -8.437 24 HB2 GLN 4 2HB GLN 4 -10.483 -3.707 -8.627 25 HB3 GLN 4 1HB GLN 4 -11.151 -2.534 -7.498 26 HG2 GLN 4 2HG GLN 4 -10.810 -0.734 -9.094 27 HG3 GLN 4 1HG GLN 4 -9.990 -1.832 -10.206 28 HE21 GLN 4 1HE2 GLN 4 -11.243 -3.341 -11.379 29 HE22 GLN 4 2HE2 GLN 4 -12.959 -3.206 -11.513 30 H GLU 5 H GLU 5 -10.038 -1.293 -5.656 31 HA GLU 5 HA GLU 5 -9.733 1.425 -6.391 32 HB2 GLU 5 2HB GLU 5 -10.306 0.198 -3.662 33 HB3 GLU 5 1HB GLU 5 -10.448 1.914 -4.032 34 HG2 GLU 5 2HG GLU 5 -12.080 -0.313 -5.286 35 HG3 GLU 5 1HG GLU 5 -12.630 0.798 -4.039 36 H LEU 6 H LEU 6 -7.760 -0.719 -4.405 37 HA LEU 6 HA LEU 6 -5.928 1.178 -3.385 38 HB2 LEU 6 2HB LEU 6 -6.115 -1.135 -2.516 39 HB3 LEU 6 1HB LEU 6 -5.509 -1.765 -4.040 40 HG LEU 6 HG LEU 6 -3.314 -0.628 -3.614 41 HD11 LEU 6 1HD1 LEU 6 -4.015 1.211 -2.187 42 HD12 LEU 6 2HD1 LEU 6 -2.779 0.251 -1.379 43 HD13 LEU 6 3HD1 LEU 6 -4.473 0.085 -0.905 44 HD21 LEU 6 3HD2 LEU 6 -4.187 -2.523 -1.417 45 HD22 LEU 6 1HD2 LEU 6 -2.521 -2.166 -1.883 46 HD23 LEU 6 2HD2 LEU 6 -3.597 -2.974 -3.019 47 H ARG 7 H ARG 7 -5.993 -0.755 -6.375 48 HA ARG 7 HA ARG 7 -3.517 0.097 -7.462 49 HB2 ARG 7 2HB ARG 7 -4.852 -1.928 -8.229 50 HB3 ARG 7 1HB ARG 7 -5.962 -0.836 -9.039 51 HG2 ARG 7 2HG ARG 7 -4.171 -0.053 -10.512 52 HG3 ARG 7 1HG ARG 7 -2.992 -1.030 -9.641 53 HD2 ARG 7 2HD ARG 7 -4.210 -3.091 -10.384 54 HD3 ARG 7 1HD ARG 7 -5.301 -2.068 -11.333 55 HE ARG 7 HE ARG 7 -2.561 -1.578 -11.941 56 HH11 ARG 7 1HH1 ARG 7 -5.172 -3.802 -12.727 57 HH12 ARG 7 2HH1 ARG 7 -4.473 -4.262 -14.248 58 HH21 ARG 7 1HH2 ARG 7 -1.649 -2.194 -13.893 59 HH22 ARG 7 2HH2 ARG 7 -2.460 -3.342 -14.909 60 H GLN 8 H GLN 8 -6.834 1.364 -7.735 61 HA GLN 8 HA GLN 8 -6.366 3.292 -9.767 62 HB2 GLN 8 2HB GLN 8 -8.487 3.472 -7.574 63 HB3 GLN 8 1HB GLN 8 -8.497 4.314 -9.117 64 HG2 GLN 8 2HG GLN 8 -8.908 1.361 -8.636 65 HG3 GLN 8 1HG GLN 8 -10.093 2.530 -9.186 66 HE21 GLN 8 1HE2 GLN 8 -8.399 3.797 -11.174 67 HE22 GLN 8 2HE2 GLN 8 -8.196 2.655 -12.452 68 H LEU 9 H LEU 9 -6.008 3.311 -6.276 69 HA LEU 9 HA LEU 9 -5.718 6.092 -5.822 70 HB2 LEU 9 2HB LEU 9 -6.252 4.339 -4.099 71 HB3 LEU 9 1HB LEU 9 -4.602 3.756 -4.214 72 HG LEU 9 HG LEU 9 -3.758 5.878 -3.265 73 HD11 LEU 9 1HD1 LEU 9 -5.424 7.435 -4.129 74 HD12 LEU 9 2HD1 LEU 9 -5.270 7.597 -2.383 75 HD13 LEU 9 3HD1 LEU 9 -6.657 6.744 -3.071 76 HD21 LEU 9 3HD2 LEU 9 -4.624 5.638 -0.977 77 HD22 LEU 9 1HD2 LEU 9 -4.326 4.062 -1.712 78 HD23 LEU 9 2HD2 LEU 9 -5.977 4.673 -1.573 79 H LEU 10 H LEU 10 -3.475 3.554 -6.747 80 HA LEU 10 HA LEU 10 -1.046 5.108 -6.507 81 HB2 LEU 10 2HB LEU 10 -1.445 2.538 -8.088 82 HB3 LEU 10 1HB LEU 10 0.058 3.154 -7.425 83 HG LEU 10 HG LEU 10 -2.279 2.096 -5.792 84 HD11 LEU 10 1HD1 LEU 10 0.379 0.765 -6.350 85 HD12 LEU 10 2HD1 LEU 10 -1.189 0.294 -7.014 86 HD13 LEU 10 3HD1 LEU 10 -0.893 0.157 -5.284 87 HD21 LEU 10 3HD2 LEU 10 -1.070 3.797 -4.541 88 HD22 LEU 10 1HD2 LEU 10 0.460 2.965 -4.837 89 HD23 LEU 10 2HD2 LEU 10 -0.790 2.203 -3.848 90 H LEU 11 H LEU 11 -3.343 4.270 -9.052 91 HA LEU 11 HA LEU 11 -1.878 5.343 -11.283 92 HB2 LEU 11 2HB LEU 11 -4.822 4.630 -10.980 93 HB3 LEU 11 1HB LEU 11 -4.071 5.078 -12.505 94 HG LEU 11 HG LEU 11 -3.362 2.611 -10.867 95 HD11 LEU 11 1HD1 LEU 11 -5.608 2.441 -11.836 96 HD12 LEU 11 2HD1 LEU 11 -4.493 1.319 -12.607 97 HD13 LEU 11 3HD1 LEU 11 -4.961 2.805 -13.439 98 HD21 LEU 11 3HD2 LEU 11 -2.399 3.447 -13.623 99 HD22 LEU 11 1HD2 LEU 11 -2.053 1.908 -12.827 100 HD23 LEU 11 2HD2 LEU 11 -1.436 3.409 -12.143 101 H ASP 12 H ASP 12 -4.166 6.684 -8.981 102 HA ASP 12 HA ASP 12 -4.618 9.159 -10.435 103 HB2 ASP 12 2HB ASP 12 -5.383 8.197 -7.654 104 HB3 ASP 12 1HB ASP 12 -5.575 9.893 -8.084 105 H LYS 13 H LYS 13 -2.556 8.021 -7.809 106 HA LYS 13 HA LYS 13 -1.679 10.654 -7.044 107 HB2 LYS 13 2HB LYS 13 -1.882 8.757 -5.415 108 HB3 LYS 13 1HB LYS 13 -0.547 7.940 -6.224 109 HG2 LYS 13 2HG LYS 13 0.224 9.067 -4.194 110 HG3 LYS 13 1HG LYS 13 0.967 9.796 -5.623 111 HD2 LYS 13 2HD LYS 13 -0.802 11.594 -5.524 112 HD3 LYS 13 1HD LYS 13 -1.359 10.890 -4.004 113 HE2 LYS 13 2HE LYS 13 0.912 11.311 -3.042 114 HE3 LYS 13 1HE LYS 13 1.359 12.125 -4.550 115 HZ1 LYS 13 3HZ LYS 13 0.647 13.769 -3.003 116 HZ2 LYS 13 1HZ LYS 13 -0.772 12.924 -2.642 117 HZ3 LYS 13 2HZ LYS 13 -0.570 13.629 -4.163 118 H TRP 14 H TRP 14 -0.087 7.841 -8.565 119 HA TRP 14 HA TRP 14 2.202 9.561 -9.345 120 HB2 TRP 14 2HB TRP 14 2.150 6.578 -8.707 121 HB3 TRP 14 1HB TRP 14 3.578 7.488 -9.205 122 HD1 TRP 14 HD1 TRP 14 3.941 9.790 -7.450 123 HE1 TRP 14 HE1 TRP 14 4.036 9.732 -4.889 124 HE3 TRP 14 HE3 TRP 14 1.521 5.360 -6.633 125 HZ2 TRP 14 HZ2 TRP 14 3.216 8.067 -2.792 126 HZ3 TRP 14 HZ3 TRP 14 1.224 4.610 -4.308 127 HH2 TRP 14 HH2 TRP 14 2.051 5.932 -2.427 128 H GLY 15 H GLY 15 -0.344 7.613 -10.551 129 HA2 GLY 15 2HA GLY 15 -1.040 7.289 -12.734 130 HA3 GLY 15 1HA GLY 15 0.411 8.097 -13.300 131 H TYR 16 H TYR 16 0.816 5.481 -11.087 132 HA TYR 16 HA TYR 16 1.210 3.434 -13.142 133 HB2 TYR 16 2HB TYR 16 3.453 4.314 -11.263 134 HB3 TYR 16 1HB TYR 16 3.493 2.839 -12.221 135 HD1 TYR 16 HD1 TYR 16 3.772 2.963 -14.685 136 HD2 TYR 16 HD2 TYR 16 3.871 6.503 -12.294 137 HE1 TYR 16 HE1 TYR 16 4.745 4.208 -16.569 138 HE2 TYR 16 HE2 TYR 16 4.848 7.743 -14.180 139 HH TYR 16 HH TYR 16 4.967 6.480 -17.361 140 H SER 17 H SER 17 0.965 1.382 -12.357 141 HA SER 17 HA SER 17 -0.227 1.095 -9.710 142 HB2 SER 17 2HB SER 17 -0.783 -1.221 -10.603 143 HB3 SER 17 1HB SER 17 -1.456 0.110 -11.541 144 HG SER 17 HG SER 17 1.043 -0.916 -12.298 145 H TYR 18 H TYR 18 1.299 0.933 -8.136 146 HA TYR 18 HA TYR 18 3.794 -0.568 -8.566 147 HB2 TYR 18 2HB TYR 18 2.942 1.352 -6.355 148 HB3 TYR 18 1HB TYR 18 4.500 0.535 -6.411 149 HD1 TYR 18 HD1 TYR 18 6.091 1.053 -8.330 150 HD2 TYR 18 HD2 TYR 18 2.590 3.385 -7.583 151 HE1 TYR 18 HE1 TYR 18 7.031 2.886 -9.666 152 HE2 TYR 18 HE2 TYR 18 3.532 5.211 -8.921 153 HH TYR 18 HH TYR 18 5.749 6.024 -9.654 154 H ASP 19 H ASP 19 4.396 -2.278 -7.328 155 HA ASP 19 HA ASP 19 2.684 -3.864 -5.750 156 HB2 ASP 19 2HB ASP 19 4.781 -4.701 -6.772 157 HB3 ASP 19 1HB ASP 19 5.734 -3.634 -5.756 158 H VAL 20 H VAL 20 2.484 -4.008 -3.471 159 HA VAL 20 HA VAL 20 3.664 -1.901 -1.783 160 HB VAL 20 HB VAL 20 1.413 -1.532 -0.664 161 HG11 VAL 20 1HG1 VAL 20 2.298 0.151 -2.227 162 HG12 VAL 20 2HG1 VAL 20 0.538 0.081 -2.303 163 HG13 VAL 20 3HG1 VAL 20 1.506 -0.665 -3.578 164 HG21 VAL 20 3HG2 VAL 20 0.279 -2.941 -3.113 165 HG22 VAL 20 1HG2 VAL 20 -0.668 -2.079 -1.892 166 HG23 VAL 20 2HG2 VAL 20 0.226 -3.534 -1.454 167 H GLN 21 H GLN 21 4.383 -2.754 0.111 168 HA GLN 21 HA GLN 21 3.547 -5.508 0.857 169 HB2 GLN 21 2HB GLN 21 5.840 -5.942 1.615 170 HB3 GLN 21 1HB GLN 21 5.850 -5.462 -0.077 171 HG2 GLN 21 2HG GLN 21 6.639 -3.220 0.529 172 HG3 GLN 21 1HG GLN 21 6.516 -3.623 2.242 173 HE21 GLN 21 1HE2 GLN 21 8.727 -3.120 2.532 174 HE22 GLN 21 2HE2 GLN 21 9.984 -4.170 1.987 175 H PHE 22 H PHE 22 3.333 -5.985 3.032 176 HA PHE 22 HA PHE 22 3.196 -3.769 4.949 177 HB2 PHE 22 2HB PHE 22 2.339 -6.691 5.085 178 HB3 PHE 22 1HB PHE 22 2.323 -5.634 6.492 179 HD1 PHE 22 HD1 PHE 22 1.051 -3.327 6.178 180 HD2 PHE 22 HD2 PHE 22 0.372 -6.818 3.800 181 HE1 PHE 22 HE1 PHE 22 -1.175 -2.493 5.572 182 HE2 PHE 22 HE2 PHE 22 -1.850 -5.967 3.221 183 HZ PHE 22 HZ PHE 22 -2.632 -3.805 4.095 184 H ARG 23 H ARG 23 4.384 -3.700 6.853 185 HA ARG 23 HA ARG 23 6.532 -5.656 7.286 186 HB2 ARG 23 2HB ARG 23 7.480 -3.756 5.935 187 HB3 ARG 23 1HB ARG 23 7.020 -2.635 7.216 188 HG2 ARG 23 2HG ARG 23 8.535 -3.780 8.783 189 HG3 ARG 23 1HG ARG 23 8.966 -4.952 7.533 190 HD2 ARG 23 2HD ARG 23 9.836 -3.008 6.155 191 HD3 ARG 23 1HD ARG 23 9.571 -1.985 7.571 192 HE ARG 23 HE ARG 23 11.178 -3.397 8.779 193 HH11 ARG 23 1HH1 ARG 23 11.298 -3.511 5.261 194 HH12 ARG 23 2HH1 ARG 23 12.952 -4.029 5.214 195 HH21 ARG 23 1HH2 ARG 23 13.346 -4.055 8.697 196 HH22 ARG 23 2HH2 ARG 23 14.115 -4.338 7.166 197 H ARG 24 H ARG 24 6.709 -6.153 9.368 198 HA ARG 24 HA ARG 24 5.167 -4.616 11.387 199 HB2 ARG 24 2HB ARG 24 5.819 -7.591 11.282 200 HB3 ARG 24 1HB ARG 24 4.946 -6.796 12.592 201 HG2 ARG 24 2HG ARG 24 3.096 -6.263 11.098 202 HG3 ARG 24 1HG ARG 24 3.991 -6.892 9.712 203 HD2 ARG 24 2HD ARG 24 3.018 -8.516 12.090 204 HD3 ARG 24 1HD ARG 24 2.314 -8.507 10.468 205 HE ARG 24 HE ARG 24 5.131 -9.296 10.792 206 HH11 ARG 24 1HH1 ARG 24 1.827 -10.304 10.081 207 HH12 ARG 24 2HH1 ARG 24 2.317 -11.831 9.417 208 HH21 ARG 24 1HH2 ARG 24 5.754 -11.272 9.908 209 HH22 ARG 24 2HH2 ARG 24 4.552 -12.379 9.322 210 H THR 25 H THR 25 6.672 -3.341 12.302 211 HA THR 25 HA THR 25 8.808 -4.608 13.845 212 HB THR 25 HB THR 25 10.014 -4.008 11.819 213 HG1 THR 25 HG1 THR 25 11.052 -3.652 13.848 214 HG21 THR 25 3HG2 THR 25 8.555 -2.245 10.920 215 HG22 THR 25 1HG2 THR 25 10.227 -1.690 11.023 216 HG23 THR 25 2HG2 THR 25 9.042 -1.153 12.217 217 H GLN 26 H GLN 26 9.243 -3.599 15.735 218 HA GLN 26 HA GLN 26 9.065 -2.301 17.572 219 HB2 GLN 26 2HB GLN 26 8.061 -0.051 15.762 220 HB3 GLN 26 1HB GLN 26 8.722 0.122 17.382 221 HG2 GLN 26 2HG GLN 26 10.252 -0.760 14.912 222 HG3 GLN 26 1HG GLN 26 10.349 0.823 15.681 223 HE21 GLN 26 1HE2 GLN 26 12.420 -1.247 15.141 224 HE22 GLN 26 2HE2 GLN 26 13.172 -1.544 16.667 225 H GLY 27 H GLY 27 6.811 -3.909 16.446 226 HA2 GLY 27 2HA GLY 27 4.737 -4.556 17.252 227 HA3 GLY 27 1HA GLY 27 4.669 -3.104 18.236 228 H LYS 28 H LYS 28 5.454 -2.103 15.191 229 HA LYS 28 HA LYS 28 2.702 -1.175 14.695 230 HB2 LYS 28 2HB LYS 28 5.327 -0.040 13.629 231 HB3 LYS 28 1HB LYS 28 3.739 0.727 13.589 232 HG2 LYS 28 2HG LYS 28 3.756 1.062 15.980 233 HG3 LYS 28 1HG LYS 28 5.204 0.064 16.158 234 HD2 LYS 28 2HD LYS 28 6.468 1.745 14.790 235 HD3 LYS 28 1HD LYS 28 5.028 2.771 14.782 236 HE2 LYS 28 2HE LYS 28 5.129 2.914 17.251 237 HE3 LYS 28 1HE LYS 28 6.560 1.882 17.247 238 HZ1 LYS 28 3HZ LYS 28 7.714 3.589 15.945 239 HZ2 LYS 28 1HZ LYS 28 7.188 4.176 17.440 240 HZ3 LYS 28 2HZ LYS 28 6.351 4.586 16.035 241 H ILE 29 H ILE 29 2.062 -0.871 12.436 242 HA ILE 29 HA ILE 29 3.224 -2.836 10.551 243 HB ILE 29 HB ILE 29 1.041 -3.601 11.390 244 HG12 ILE 29 2HG1 ILE 29 -0.179 -3.884 9.210 245 HG13 ILE 29 1HG1 ILE 29 0.892 -2.693 8.478 246 HG21 ILE 29 1HG2 ILE 29 -1.056 -2.386 10.965 247 HG22 ILE 29 2HG2 ILE 29 -0.134 -1.025 10.323 248 HG23 ILE 29 3HG2 ILE 29 0.031 -1.477 12.021 249 HD11 ILE 29 3HD1 ILE 29 1.775 -5.321 9.673 250 HD12 ILE 29 1HD1 ILE 29 2.794 -4.165 8.809 251 HD13 ILE 29 2HD1 ILE 29 1.503 -5.016 7.962 252 H PHE 30 H PHE 30 3.810 -2.069 8.615 253 HA PHE 30 HA PHE 30 3.217 0.736 7.830 254 HB2 PHE 30 2HB PHE 30 5.880 -0.757 7.561 255 HB3 PHE 30 1HB PHE 30 5.562 0.869 6.966 256 HD1 PHE 30 HD2 PHE 30 6.195 -1.182 9.974 257 HD2 PHE 30 HD1 PHE 30 5.464 2.779 8.516 258 HE1 PHE 30 HE2 PHE 30 6.913 -0.246 12.135 259 HE2 PHE 30 HE1 PHE 30 6.185 3.698 10.683 260 HZ PHE 30 HZ PHE 30 6.907 2.190 12.492 261 H LEU 31 H LEU 31 2.142 0.710 5.902 262 HA LEU 31 HA LEU 31 2.620 -1.434 3.965 263 HB2 LEU 31 2HB LEU 31 0.280 -0.623 4.342 264 HB3 LEU 31 1HB LEU 31 0.745 0.967 3.752 265 HG LEU 31 HG LEU 31 1.278 -0.036 1.514 266 HD11 LEU 31 1HD1 LEU 31 1.866 -2.289 2.192 267 HD12 LEU 31 2HD1 LEU 31 0.576 -2.340 0.995 268 HD13 LEU 31 3HD1 LEU 31 0.206 -2.611 2.700 269 HD21 LEU 31 3HD2 LEU 31 -1.036 -0.424 0.773 270 HD22 LEU 31 1HD2 LEU 31 -0.941 0.948 1.878 271 HD23 LEU 31 2HD2 LEU 31 -1.555 -0.604 2.452 272 H GLN 32 H GLN 32 4.637 -1.117 3.175 273 HA GLN 32 HA GLN 32 5.606 1.485 2.299 274 HB2 GLN 32 2HB GLN 32 6.938 -1.264 2.272 275 HB3 GLN 32 1HB GLN 32 7.739 0.267 1.912 276 HG2 GLN 32 2HG GLN 32 7.251 1.048 4.224 277 HG3 GLN 32 1HG GLN 32 6.501 -0.507 4.575 278 HE21 GLN 32 1HE2 GLN 32 8.839 0.871 5.763 279 HE22 GLN 32 2HE2 GLN 32 10.141 -0.258 5.656 280 H VAL 33 H VAL 33 4.770 2.146 0.420 281 HA VAL 33 HA VAL 33 4.087 0.532 -1.815 282 HB VAL 33 HB VAL 33 4.705 3.528 -1.787 283 HG11 VAL 33 1HG1 VAL 33 3.334 3.627 -3.848 284 HG12 VAL 33 2HG1 VAL 33 3.160 1.872 -3.821 285 HG13 VAL 33 3HG1 VAL 33 4.751 2.597 -4.061 286 HG21 VAL 33 3HG2 VAL 33 2.025 2.126 -1.438 287 HG22 VAL 33 1HG2 VAL 33 2.266 3.872 -1.568 288 HG23 VAL 33 2HG2 VAL 33 2.915 2.992 -0.184 289 H MET 34 H MET 34 5.458 -0.492 -3.047 290 HA MET 34 HA MET 34 8.299 -0.076 -3.030 291 HB2 MET 34 2HB MET 34 6.574 -1.979 -4.663 292 HB3 MET 34 1HB MET 34 8.327 -2.053 -4.553 293 HG2 MET 34 2HG MET 34 6.553 -2.350 -2.124 294 HG3 MET 34 1HG MET 34 6.982 -3.713 -3.152 295 HE1 MET 34 3HE MET 34 9.739 -1.589 -0.136 296 HE2 MET 34 1HE MET 34 7.976 -1.568 -0.141 297 HE3 MET 34 2HE MET 34 8.873 -0.624 -1.330 298 H TRP 35 H TRP 35 9.591 0.443 -4.716 299 HA TRP 35 HA TRP 35 8.842 2.280 -6.742 300 HB2 TRP 35 2HB TRP 35 11.274 1.807 -7.522 301 HB3 TRP 35 1HB TRP 35 11.062 2.449 -5.899 302 HD1 TRP 35 HD1 TRP 35 12.030 -0.861 -7.688 303 HE1 TRP 35 HE1 TRP 35 13.246 -2.362 -5.991 304 HE3 TRP 35 HE3 TRP 35 11.286 1.897 -3.432 305 HZ2 TRP 35 HZ2 TRP 35 13.817 -2.388 -3.232 306 HZ3 TRP 35 HZ3 TRP 35 12.185 1.056 -1.305 307 HH2 TRP 35 HH2 TRP 35 13.429 -1.043 -1.208 308 H LYS 36 H LYS 36 8.902 -1.179 -6.633 309 HA LYS 36 HA LYS 36 9.060 -1.773 -9.426 310 HB2 LYS 36 2HB LYS 36 7.840 -3.353 -7.120 311 HB3 LYS 36 1HB LYS 36 8.100 -3.994 -8.740 312 HG2 LYS 36 2HG LYS 36 10.476 -3.943 -8.497 313 HG3 LYS 36 1HG LYS 36 10.384 -2.971 -7.025 314 HD2 LYS 36 2HD LYS 36 9.243 -5.793 -7.237 315 HD3 LYS 36 1HD LYS 36 10.872 -5.442 -6.651 316 HE2 LYS 36 2HE LYS 36 10.067 -4.326 -4.722 317 HE3 LYS 36 1HE LYS 36 8.451 -4.127 -5.395 318 HZ1 LYS 36 3HZ LYS 36 8.014 -6.432 -5.104 319 HZ2 LYS 36 1HZ LYS 36 8.645 -5.852 -3.653 320 HZ3 LYS 36 2HZ LYS 36 9.620 -6.764 -4.683 321 H TYR 37 H TYR 37 7.555 -1.049 -10.821 322 HA TYR 37 HA TYR 37 4.670 -1.260 -10.178 323 HB2 TYR 37 2HB TYR 37 4.389 0.109 -12.341 324 HB3 TYR 37 1HB TYR 37 5.090 0.956 -10.969 325 HD1 TYR 37 HD1 TYR 37 7.532 1.463 -10.922 326 HD2 TYR 37 HD2 TYR 37 5.688 -0.193 -14.403 327 HE1 TYR 37 HE1 TYR 37 9.487 2.099 -12.256 328 HE2 TYR 37 HE2 TYR 37 7.650 0.453 -15.737 329 HH TYR 37 HH TYR 37 10.579 1.500 -14.274 330 H LEU 38 H LEU 38 3.307 -2.142 -11.898 331 HA LEU 38 HA LEU 38 4.068 -4.801 -12.337 332 HB2 LEU 38 2HB LEU 38 1.738 -4.074 -11.980 333 HB3 LEU 38 1HB LEU 38 1.739 -3.269 -13.541 334 HG LEU 38 HG LEU 38 1.987 -5.475 -14.683 335 HD11 LEU 38 1HD1 LEU 38 1.758 -6.703 -11.916 336 HD12 LEU 38 2HD1 LEU 38 3.180 -6.729 -12.963 337 HD13 LEU 38 3HD1 LEU 38 1.718 -7.580 -13.450 338 HD21 LEU 38 3HD2 LEU 38 -0.279 -6.308 -14.283 339 HD22 LEU 38 1HD2 LEU 38 -0.253 -4.546 -14.348 340 HD23 LEU 38 2HD2 LEU 38 -0.380 -5.369 -12.793 341 H GLU 39 H GLU 39 4.468 -2.040 -14.397 342 HA GLU 39 HA GLU 39 4.546 -3.442 -16.924 343 HB2 GLU 39 2HB GLU 39 5.335 -0.596 -16.214 344 HB3 GLU 39 1HB GLU 39 5.177 -1.229 -17.852 345 HG2 GLU 39 2HG GLU 39 2.793 -1.582 -17.551 346 HG3 GLU 39 1HG GLU 39 2.899 -1.131 -15.850 347 H GLN 40 H GLN 40 6.698 -3.752 -14.563 348 HA GLN 40 HA GLN 40 9.044 -3.902 -16.352 349 HB2 GLN 40 2HB GLN 40 8.780 -4.062 -13.320 350 HB3 GLN 40 1HB GLN 40 10.268 -4.500 -14.160 351 HG2 GLN 40 2HG GLN 40 8.922 -1.783 -14.280 352 HG3 GLN 40 1HG GLN 40 10.331 -2.184 -13.296 353 HE21 GLN 40 1HE2 GLN 40 9.942 -0.255 -15.591 354 HE22 GLN 40 2HE2 GLN 40 11.207 -0.633 -16.696 355 H ALA 41 H ALA 41 9.968 -5.813 -16.876 356 HA ALA 41 HA ALA 41 8.490 -8.277 -16.662 357 HB1 ALA 41 3HB ALA 41 9.735 -7.680 -18.705 358 HB2 ALA 41 1HB ALA 41 10.322 -9.207 -18.039 359 HB3 ALA 41 2HB ALA 41 11.254 -7.723 -17.809 360 H SER 42 H SER 42 10.895 -6.714 -14.788 361 HA SER 42 HA SER 42 11.963 -9.065 -13.467 362 HB2 SER 42 2HB SER 42 12.251 -6.105 -12.802 363 HB3 SER 42 1HB SER 42 13.214 -7.412 -12.112 364 HG SER 42 HG SER 42 13.213 -7.417 -14.858 365 H PHE 43 H PHE 43 8.999 -7.661 -13.257 366 HA PHE 43 HA PHE 43 8.536 -7.206 -10.516 367 HB2 PHE 43 2HB PHE 43 7.095 -6.551 -12.606 368 HB3 PHE 43 1HB PHE 43 6.393 -8.158 -12.468 369 HD1 PHE 43 HD1 PHE 43 6.926 -4.958 -10.655 370 HD2 PHE 43 HD2 PHE 43 4.647 -8.573 -10.855 371 HE1 PHE 43 HE1 PHE 43 5.391 -4.088 -8.954 372 HE2 PHE 43 HE2 PHE 43 3.117 -7.686 -9.150 373 HZ PHE 43 HZ PHE 43 3.494 -5.445 -8.198 374 HA PRO 44 HA PRO 44 8.972 -11.382 -9.019 375 HB2 PRO 44 2HB PRO 44 7.882 -11.207 -6.516 376 HB3 PRO 44 1HB PRO 44 9.390 -10.371 -6.951 377 HG2 PRO 44 2HG PRO 44 6.593 -9.265 -6.864 378 HG3 PRO 44 1HG PRO 44 8.085 -8.580 -6.179 379 HD2 PRO 44 2HD PRO 44 7.111 -7.719 -8.548 380 HD3 PRO 44 1HD PRO 44 8.861 -7.831 -8.259 381 H MET 45 H MET 45 5.874 -10.126 -9.625 382 HA MET 45 HA MET 45 4.546 -12.761 -9.350 383 HB2 MET 45 2HB MET 45 3.432 -9.990 -8.703 384 HB3 MET 45 1HB MET 45 2.425 -11.421 -8.856 385 HG2 MET 45 2HG MET 45 3.431 -12.429 -6.927 386 HG3 MET 45 1HG MET 45 4.675 -11.184 -6.852 387 HE1 MET 45 3HE MET 45 4.254 -8.698 -6.063 388 HE2 MET 45 1HE MET 45 2.667 -8.045 -5.655 389 HE3 MET 45 2HE MET 45 3.041 -8.473 -7.324 390 H ASN 46 H ASN 46 2.694 -13.007 -10.805 391 HA ASN 46 HA ASN 46 2.957 -11.814 -13.433 392 HB2 ASN 46 2HB ASN 46 0.860 -13.696 -12.250 393 HB3 ASN 46 1HB ASN 46 0.891 -13.192 -13.934 394 HD21 ASN 46 1HD2 ASN 46 1.143 -15.872 -12.706 395 HD22 ASN 46 2HD2 ASN 46 2.615 -16.524 -13.334 396 H GLU 47 H GLU 47 0.708 -11.036 -14.422 397 HA GLU 47 HA GLU 47 0.012 -8.585 -13.156 398 HB2 GLU 47 2HB GLU 47 -1.299 -10.019 -15.502 399 HB3 GLU 47 1HB GLU 47 -1.623 -8.347 -15.033 400 HG2 GLU 47 2HG GLU 47 0.717 -7.745 -15.492 401 HG3 GLU 47 1HG GLU 47 1.075 -9.421 -15.909 402 H THR 48 H THR 48 -1.713 -11.660 -13.504 403 HA THR 48 HA THR 48 -4.086 -11.009 -12.122 404 HB THR 48 HB THR 48 -2.675 -13.717 -12.324 405 HG1 THR 48 HG1 THR 48 -4.561 -12.436 -14.036 406 HG21 THR 48 3HG2 THR 48 -4.446 -13.771 -10.609 407 HG22 THR 48 1HG2 THR 48 -4.916 -14.715 -12.026 408 HG23 THR 48 2HG2 THR 48 -5.602 -13.110 -11.768 409 H GLU 49 H GLU 49 -1.008 -12.480 -11.033 410 HA GLU 49 HA GLU 49 -1.754 -12.932 -8.336 411 HB2 GLU 49 2HB GLU 49 1.083 -12.612 -9.401 412 HB3 GLU 49 1HB GLU 49 0.590 -13.460 -7.938 413 HG2 GLU 49 2HG GLU 49 -0.005 -14.278 -10.788 414 HG3 GLU 49 1HG GLU 49 1.150 -15.035 -9.702 415 H TYR 50 H TYR 50 -0.371 -10.167 -9.971 416 HA TYR 50 HA TYR 50 0.410 -8.639 -7.704 417 HB2 TYR 50 2HB TYR 50 1.341 -7.943 -9.794 418 HB3 TYR 50 1HB TYR 50 -0.226 -7.925 -10.594 419 HD1 TYR 50 HD1 TYR 50 1.389 -6.245 -7.615 420 HD2 TYR 50 HD2 TYR 50 -1.036 -5.777 -11.103 421 HE1 TYR 50 HE1 TYR 50 1.155 -3.849 -7.140 422 HE2 TYR 50 HE2 TYR 50 -1.262 -3.379 -10.627 423 HH TYR 50 HH TYR 50 0.537 -1.805 -8.136 424 H GLN 51 H GLN 51 -2.562 -8.712 -9.687 425 HA GLN 51 HA GLN 51 -3.853 -6.587 -8.268 426 HB2 GLN 51 2HB GLN 51 -4.219 -7.662 -10.741 427 HB3 GLN 51 1HB GLN 51 -5.503 -8.513 -9.901 428 HG2 GLN 51 2HG GLN 51 -5.219 -5.487 -9.917 429 HG3 GLN 51 1HG GLN 51 -6.185 -6.379 -11.088 430 HE21 GLN 51 1HE2 GLN 51 -6.963 -4.357 -9.052 431 HE22 GLN 51 2HE2 GLN 51 -8.196 -5.118 -8.115 432 H GLU 52 H GLU 52 -3.836 -10.095 -7.996 433 HA GLU 52 HA GLU 52 -5.822 -10.377 -5.976 434 HB2 GLU 52 2HB GLU 52 -3.431 -12.137 -6.689 435 HB3 GLU 52 1HB GLU 52 -4.681 -12.596 -5.535 436 HG2 GLU 52 2HG GLU 52 -5.075 -12.080 -8.496 437 HG3 GLU 52 1HG GLU 52 -5.070 -13.651 -7.698 438 H HIS 53 H HIS 53 -2.313 -9.847 -5.920 439 HA HIS 53 HA HIS 53 -1.852 -9.957 -3.141 440 HB2 HIS 53 2HB HIS 53 0.015 -10.047 -4.711 441 HB3 HIS 53 1HB HIS 53 -0.376 -8.460 -5.357 442 HD1 HIS 53 HD1 HIS 53 1.015 -10.092 -2.231 443 HD2 HIS 53 HD2 HIS 53 0.845 -6.359 -4.048 444 HE1 HIS 53 HE1 HIS 53 2.532 -8.616 -0.887 445 HE2 HIS 53 HE2 HIS 53 2.614 -6.459 -2.176 446 H LEU 54 H LEU 54 -2.996 -7.394 -5.220 447 HA LEU 54 HA LEU 54 -2.802 -5.215 -3.378 448 HB2 LEU 54 2HB LEU 54 -4.543 -5.594 -5.841 449 HB3 LEU 54 1HB LEU 54 -4.461 -4.093 -4.931 450 HG LEU 54 HG LEU 54 -2.119 -5.359 -6.397 451 HD11 LEU 54 1HD1 LEU 54 -3.827 -4.601 -7.952 452 HD12 LEU 54 2HD1 LEU 54 -2.432 -3.533 -8.019 453 HD13 LEU 54 3HD1 LEU 54 -3.887 -3.022 -7.166 454 HD21 LEU 54 3HD2 LEU 54 -0.973 -3.214 -5.994 455 HD22 LEU 54 1HD2 LEU 54 -1.372 -4.023 -4.479 456 HD23 LEU 54 2HD2 LEU 54 -2.339 -2.652 -5.027 457 H ASP 55 H ASP 55 -5.323 -7.521 -4.266 458 HA ASP 55 HA ASP 55 -7.390 -6.373 -2.642 459 HB2 ASP 55 2HB ASP 55 -7.746 -7.803 -4.718 460 HB3 ASP 55 1HB ASP 55 -7.255 -9.206 -3.773 461 H SER 56 H SER 56 -4.934 -8.805 -2.236 462 HA SER 56 HA SER 56 -5.600 -9.841 0.296 463 HB2 SER 56 2HB SER 56 -2.925 -9.498 -1.121 464 HB3 SER 56 1HB SER 56 -3.135 -10.431 0.343 465 HG SER 56 HG SER 56 -4.871 -11.038 -1.731 466 H VAL 57 H VAL 57 -3.598 -7.075 -0.709 467 HA VAL 57 HA VAL 57 -2.847 -6.219 1.888 468 HB VAL 57 HB VAL 57 -2.814 -4.824 -0.819 469 HG11 VAL 57 1HG1 VAL 57 -1.777 -3.661 1.793 470 HG12 VAL 57 2HG1 VAL 57 -3.130 -3.046 0.842 471 HG13 VAL 57 3HG1 VAL 57 -1.494 -2.989 0.186 472 HG21 VAL 57 3HG2 VAL 57 -0.550 -5.830 0.954 473 HG22 VAL 57 1HG2 VAL 57 -0.364 -5.084 -0.636 474 HG23 VAL 57 2HG2 VAL 57 -1.169 -6.646 -0.481 475 H ALA 58 H ALA 58 -5.414 -5.186 -0.331 476 HA ALA 58 HA ALA 58 -6.489 -3.089 1.228 477 HB1 ALA 58 3HB ALA 58 -6.854 -3.296 -1.192 478 HB2 ALA 58 1HB ALA 58 -8.386 -3.176 -0.328 479 HB3 ALA 58 2HB ALA 58 -7.836 -4.742 -0.937 480 H ASN 59 H ASN 59 -6.971 -6.542 1.254 481 HA ASN 59 HA ASN 59 -9.300 -6.751 2.862 482 HB2 ASN 59 2HB ASN 59 -8.396 -8.653 1.571 483 HB3 ASN 59 1HB ASN 59 -6.925 -8.641 2.533 484 HD21 ASN 59 1HD2 ASN 59 -7.173 -10.751 3.220 485 HD22 ASN 59 2HD2 ASN 59 -8.397 -11.244 4.334 486 H TYR 60 H TYR 60 -5.807 -6.726 3.673 487 HA TYR 60 HA TYR 60 -6.132 -6.710 6.509 488 HB2 TYR 60 2HB TYR 60 -3.812 -5.948 4.704 489 HB3 TYR 60 1HB TYR 60 -3.710 -5.760 6.451 490 HD1 TYR 60 HD1 TYR 60 -4.254 -7.867 7.882 491 HD2 TYR 60 HD2 TYR 60 -3.174 -8.042 3.752 492 HE1 TYR 60 HE1 TYR 60 -3.587 -10.198 8.159 493 HE2 TYR 60 HE2 TYR 60 -2.506 -10.394 4.025 494 HH TYR 60 HH TYR 60 -3.335 -12.243 6.718 495 H LEU 61 H LEU 61 -6.077 -4.153 4.096 496 HA LEU 61 HA LEU 61 -5.792 -1.954 5.876 497 HB2 LEU 61 2HB LEU 61 -6.994 -2.075 3.082 498 HB3 LEU 61 1HB LEU 61 -6.682 -0.586 3.956 499 HG LEU 61 HG LEU 61 -4.605 -2.559 2.939 500 HD11 LEU 61 1HD1 LEU 61 -5.131 0.316 2.136 501 HD12 LEU 61 2HD1 LEU 61 -5.523 -1.123 1.191 502 HD13 LEU 61 3HD1 LEU 61 -3.839 -0.721 1.517 503 HD21 LEU 61 3HD2 LEU 61 -2.883 -1.023 3.803 504 HD22 LEU 61 1HD2 LEU 61 -3.851 -1.731 5.095 505 HD23 LEU 61 2HD2 LEU 61 -4.137 -0.063 4.596 506 H HIS 62 H HIS 62 -8.599 -3.818 4.806 507 HA HIS 62 HA HIS 62 -10.530 -2.102 6.128 508 HB2 HIS 62 2HB HIS 62 -11.189 -3.508 4.185 509 HB3 HIS 62 1HB HIS 62 -10.851 -4.966 5.115 510 HD1 HIS 62 HD1 HIS 62 -12.663 -5.753 6.757 511 HD2 HIS 62 HD2 HIS 62 -13.523 -2.061 5.038 512 HE1 HIS 62 HE1 HIS 62 -15.028 -5.225 7.424 513 HE2 HIS 62 HE2 HIS 62 -15.587 -3.117 6.179 514 H ALA 63 H ALA 63 -8.837 -5.138 6.864 515 HA ALA 63 HA ALA 63 -10.221 -5.940 9.175 516 HB1 ALA 63 3HB ALA 63 -7.323 -6.482 8.432 517 HB2 ALA 63 1HB ALA 63 -8.717 -7.416 7.890 518 HB3 ALA 63 2HB ALA 63 -8.280 -7.401 9.600 519 H LEU 64 H LEU 64 -7.328 -3.959 8.797 520 HA LEU 64 HA LEU 64 -6.979 -3.512 11.657 521 HB2 LEU 64 2HB LEU 64 -5.417 -2.422 9.266 522 HB3 LEU 64 1HB LEU 64 -4.928 -2.302 10.949 523 HG LEU 64 HG LEU 64 -5.190 -4.906 9.387 524 HD11 LEU 64 1HD1 LEU 64 -2.762 -5.061 9.411 525 HD12 LEU 64 2HD1 LEU 64 -2.638 -3.498 10.230 526 HD13 LEU 64 3HD1 LEU 64 -3.276 -3.588 8.587 527 HD21 LEU 64 3HD2 LEU 64 -4.165 -4.447 12.200 528 HD22 LEU 64 1HD2 LEU 64 -4.105 -5.977 11.318 529 HD23 LEU 64 2HD2 LEU 64 -5.659 -5.265 11.741 530 H GLY 65 H GLY 65 -8.608 -1.995 9.022 531 HA2 GLY 65 2HA GLY 65 -9.771 0.003 8.848 532 HA3 GLY 65 1HA GLY 65 -9.245 0.444 10.467 533 H GLY 66 H GLY 66 -6.807 -0.592 8.299 534 HA2 GLY 66 2HA GLY 66 -5.429 1.936 8.402 535 HA3 GLY 66 1HA GLY 66 -4.844 0.441 7.696 536 H ALA 67 H ALA 67 -7.778 0.800 6.280 537 HA ALA 67 HA ALA 67 -6.819 1.512 3.735 538 HB1 ALA 67 3HB ALA 67 -9.685 1.601 4.750 539 HB2 ALA 67 1HB ALA 67 -8.866 0.185 4.087 540 HB3 ALA 67 2HB ALA 67 -9.184 1.581 3.054 541 H VAL 68 H VAL 68 -8.641 3.370 6.127 542 HA VAL 68 HA VAL 68 -8.809 5.826 4.702 543 HB VAL 68 HB VAL 68 -8.962 5.363 7.729 544 HG11 VAL 68 1HG1 VAL 68 -8.705 7.751 7.159 545 HG12 VAL 68 2HG1 VAL 68 -10.312 7.427 7.809 546 HG13 VAL 68 3HG1 VAL 68 -10.093 7.655 6.072 547 HG21 VAL 68 3HG2 VAL 68 -11.405 5.169 7.436 548 HG22 VAL 68 1HG2 VAL 68 -10.556 3.913 6.531 549 HG23 VAL 68 2HG2 VAL 68 -11.218 5.315 5.685 550 H GLN 69 H GLN 69 -6.399 4.412 6.876 551 HA GLN 69 HA GLN 69 -4.858 6.772 7.370 552 HB2 GLN 69 2HB GLN 69 -3.857 3.899 7.529 553 HB3 GLN 69 1HB GLN 69 -3.168 5.300 8.335 554 HG2 GLN 69 2HG GLN 69 -5.836 3.999 8.952 555 HG3 GLN 69 1HG GLN 69 -4.364 3.867 9.902 556 HE21 GLN 69 1HE2 GLN 69 -5.286 4.666 11.787 557 HE22 GLN 69 2HE2 GLN 69 -5.792 6.303 11.988 558 H VAL 70 H VAL 70 -4.717 4.218 4.920 559 HA VAL 70 HA VAL 70 -2.311 5.031 3.610 560 HB VAL 70 HB VAL 70 -4.685 3.387 2.593 561 HG11 VAL 70 1HG1 VAL 70 -1.992 3.797 1.231 562 HG12 VAL 70 2HG1 VAL 70 -3.554 4.364 0.641 563 HG13 VAL 70 3HG1 VAL 70 -3.223 2.634 0.729 564 HG21 VAL 70 3HG2 VAL 70 -1.923 2.537 3.524 565 HG22 VAL 70 1HG2 VAL 70 -3.185 1.458 2.921 566 HG23 VAL 70 2HG2 VAL 70 -3.427 2.345 4.428 567 H LYS 71 H LYS 71 -5.751 5.648 3.004 568 HA LYS 71 HA LYS 71 -5.510 7.181 0.663 569 HB2 LYS 71 2HB LYS 71 -7.685 7.100 2.796 570 HB3 LYS 71 1HB LYS 71 -7.853 8.000 1.292 571 HG2 LYS 71 2HG LYS 71 -7.650 5.929 -0.008 572 HG3 LYS 71 1HG LYS 71 -7.374 5.011 1.470 573 HD2 LYS 71 2HD LYS 71 -9.644 4.611 0.895 574 HD3 LYS 71 1HD LYS 71 -9.699 5.753 2.234 575 HE2 LYS 71 2HE LYS 71 -9.967 6.529 -0.690 576 HE3 LYS 71 1HE LYS 71 -11.326 6.235 0.388 577 HZ1 LYS 71 3HZ LYS 71 -9.322 8.417 0.574 578 HZ2 LYS 71 1HZ LYS 71 -10.428 8.067 1.810 579 HZ3 LYS 71 2HZ LYS 71 -10.979 8.555 0.289 580 H THR 72 H THR 72 -5.620 8.181 4.088 581 HA THR 72 HA THR 72 -5.691 10.995 3.623 582 HB THR 72 HB THR 72 -4.939 9.431 6.137 583 HG1 THR 72 HG1 THR 72 -7.160 9.317 5.105 584 HG21 THR 72 3HG2 THR 72 -5.443 11.509 7.389 585 HG22 THR 72 1HG2 THR 72 -5.696 12.373 5.871 586 HG23 THR 72 2HG2 THR 72 -4.093 11.764 6.283 587 H PHE 73 H PHE 73 -3.066 8.693 4.372 588 HA PHE 73 HA PHE 73 -0.953 10.571 4.572 589 HB2 PHE 73 2HB PHE 73 -0.769 8.200 5.374 590 HB3 PHE 73 1HB PHE 73 -0.740 7.650 3.706 591 HD1 PHE 73 HD2 PHE 73 1.152 9.612 6.250 592 HD2 PHE 73 HD1 PHE 73 1.332 7.707 2.429 593 HE1 PHE 73 HE2 PHE 73 3.595 9.886 6.225 594 HE2 PHE 73 HE1 PHE 73 3.776 7.993 2.416 595 HZ PHE 73 HZ PHE 73 4.909 9.078 4.308 596 H ILE 74 H ILE 74 -2.096 8.563 1.843 597 HA ILE 74 HA ILE 74 -0.180 9.395 -0.052 598 HB ILE 74 HB ILE 74 -2.813 7.902 -0.281 599 HG12 ILE 74 2HG1 ILE 74 0.118 7.186 -0.763 600 HG13 ILE 74 1HG1 ILE 74 -0.916 6.609 0.534 601 HG21 ILE 74 1HG2 ILE 74 -1.141 8.680 -2.693 602 HG22 ILE 74 2HG2 ILE 74 -2.763 9.266 -2.331 603 HG23 ILE 74 3HG2 ILE 74 -2.506 7.561 -2.700 604 HD11 ILE 74 3HD1 ILE 74 -0.561 4.864 -1.055 605 HD12 ILE 74 1HD1 ILE 74 -1.102 5.887 -2.386 606 HD13 ILE 74 2HD1 ILE 74 -2.246 5.370 -1.146 607 H THR 75 H THR 75 -3.385 10.720 0.762 608 HA THR 75 HA THR 75 -3.652 12.530 -1.386 609 HB THR 75 HB THR 75 -4.666 12.851 1.478 610 HG1 THR 75 HG1 THR 75 -5.307 11.069 -0.285 611 HG21 THR 75 3HG2 THR 75 -6.368 14.381 0.525 612 HG22 THR 75 1HG2 THR 75 -5.607 14.252 -1.063 613 HG23 THR 75 2HG2 THR 75 -4.744 15.023 0.269 614 H GLN 76 H GLN 76 -2.216 12.972 1.853 615 HA GLN 76 HA GLN 76 -1.607 15.762 1.399 616 HB2 GLN 76 2HB GLN 76 -0.972 13.937 3.754 617 HB3 GLN 76 1HB GLN 76 -0.722 15.682 3.728 618 HG2 GLN 76 2HG GLN 76 -3.188 15.990 3.413 619 HG3 GLN 76 1HG GLN 76 -3.387 14.240 3.540 620 HE21 GLN 76 1HE2 GLN 76 -4.677 14.383 5.394 621 HE22 GLN 76 2HE2 GLN 76 -4.055 14.859 6.936 622 H THR 77 H THR 77 0.223 12.735 1.307 623 HA THR 77 HA THR 77 2.817 13.921 1.579 624 HB THR 77 HB THR 77 2.389 11.471 2.095 625 HG1 THR 77 HG1 THR 77 4.484 11.469 1.934 626 HG21 THR 77 3HG2 THR 77 1.074 10.825 0.089 627 HG22 THR 77 1HG2 THR 77 2.505 9.812 0.281 628 HG23 THR 77 2HG2 THR 77 2.491 11.096 -0.929 629 H LYS 78 H LYS 78 4.306 14.370 0.012 630 HA LYS 78 HA LYS 78 3.353 14.631 -2.781 631 HB2 LYS 78 2HB LYS 78 5.600 16.178 -1.394 632 HB3 LYS 78 1HB LYS 78 4.935 16.497 -2.995 633 HG2 LYS 78 2HG LYS 78 2.755 17.108 -1.957 634 HG3 LYS 78 1HG LYS 78 3.439 16.793 -0.367 635 HD2 LYS 78 2HD LYS 78 3.639 19.104 -0.466 636 HD3 LYS 78 1HD LYS 78 5.219 18.625 -1.076 637 HE2 LYS 78 2HE LYS 78 2.835 19.470 -2.757 638 HE3 LYS 78 1HE LYS 78 4.250 20.452 -2.401 639 HZ1 LYS 78 3HZ LYS 78 4.361 19.488 -4.605 640 HZ2 LYS 78 1HZ LYS 78 4.266 17.926 -3.972 641 HZ3 LYS 78 2HZ LYS 78 5.611 18.896 -3.644 642 H GLU 79 H GLU 79 5.096 12.588 -0.900 643 HA GLU 79 HA GLU 79 7.486 12.206 -2.455 644 HB2 GLU 79 2HB GLU 79 6.242 10.690 -0.137 645 HB3 GLU 79 1HB GLU 79 7.646 10.045 -0.983 646 HG2 GLU 79 2HG GLU 79 7.478 12.663 0.531 647 HG3 GLU 79 1HG GLU 79 8.380 11.219 0.988 648 H ARG 80 H ARG 80 8.088 10.403 -3.594 649 HA ARG 80 HA ARG 80 5.960 8.758 -4.825 650 HB2 ARG 80 2HB ARG 80 8.446 9.911 -6.198 651 HB3 ARG 80 1HB ARG 80 7.282 8.810 -6.938 652 HG2 ARG 80 2HG ARG 80 5.509 10.545 -6.577 653 HG3 ARG 80 1HG ARG 80 6.765 11.644 -6.017 654 HD2 ARG 80 2HD ARG 80 7.866 11.525 -8.211 655 HD3 ARG 80 1HD ARG 80 6.641 10.378 -8.776 656 HE ARG 80 HE ARG 80 5.383 12.725 -7.837 657 HH11 ARG 80 1HH1 ARG 80 7.296 11.606 -10.577 658 HH12 ARG 80 2HH1 ARG 80 6.634 12.777 -11.673 659 HH21 ARG 80 1HH2 ARG 80 4.556 14.281 -9.280 660 HH22 ARG 80 2HH2 ARG 80 5.086 14.287 -10.933 661 HA PRO 81 HA PRO 81 8.538 5.223 -3.623 662 HB2 PRO 81 2HB PRO 81 7.837 3.433 -5.627 663 HB3 PRO 81 1HB PRO 81 6.810 3.784 -4.225 664 HG2 PRO 81 2HG PRO 81 6.640 4.894 -7.001 665 HG3 PRO 81 1HG PRO 81 5.337 4.328 -5.930 666 HD2 PRO 81 2HD PRO 81 5.861 6.958 -6.228 667 HD3 PRO 81 1HD PRO 81 5.334 6.284 -4.669 668 H ARG 82 H ARG 82 10.611 4.982 -3.956 669 HA ARG 82 HA ARG 82 11.905 5.830 -6.484 670 HB2 ARG 82 2HB ARG 82 11.723 7.665 -4.777 671 HB3 ARG 82 1HB ARG 82 12.585 6.663 -3.621 672 HG2 ARG 82 2HG ARG 82 14.636 6.844 -4.879 673 HG3 ARG 82 1HG ARG 82 13.801 7.611 -6.237 674 HD2 ARG 82 2HD ARG 82 14.132 8.796 -3.444 675 HD3 ARG 82 1HD ARG 82 15.003 9.298 -4.898 676 HE ARG 82 HE ARG 82 12.814 9.976 -5.837 677 HH11 ARG 82 1HH1 ARG 82 13.065 9.794 -2.326 678 HH12 ARG 82 2HH1 ARG 82 11.750 10.900 -2.061 679 HH21 ARG 82 1HH2 ARG 82 11.072 11.348 -5.466 680 HH22 ARG 82 2HH2 ARG 82 10.628 11.776 -3.842 681 H LEU 83 H LEU 83 13.916 4.802 -6.836 682 HA LEU 83 HA LEU 83 14.077 2.114 -5.969 683 HB2 LEU 83 2HB LEU 83 14.811 2.913 -8.206 684 HB3 LEU 83 1HB LEU 83 16.118 3.812 -7.456 685 HG LEU 83 HG LEU 83 17.112 1.629 -6.671 686 HD11 LEU 83 1HD1 LEU 83 15.101 0.248 -6.660 687 HD12 LEU 83 2HD1 LEU 83 16.355 -0.481 -7.661 688 HD13 LEU 83 3HD1 LEU 83 14.993 0.351 -8.420 689 HD21 LEU 83 3HD2 LEU 83 17.951 2.739 -8.693 690 HD22 LEU 83 1HD2 LEU 83 16.767 1.876 -9.678 691 HD23 LEU 83 2HD2 LEU 83 18.046 0.987 -8.845 692 H GLY 84 H GLY 84 14.285 2.065 -3.734 693 HA2 GLY 84 2HA GLY 84 16.050 1.485 -2.109 694 HA3 GLY 84 1HA GLY 84 16.846 2.992 -2.524 695 H LYS 85 H LYS 85 14.002 4.220 -2.643 696 HA LYS 85 HA LYS 85 13.477 4.425 0.264 697 HB2 LYS 85 2HB LYS 85 14.545 6.502 -0.619 698 HB3 LYS 85 1HB LYS 85 13.255 6.668 -1.806 699 HG2 LYS 85 2HG LYS 85 11.607 6.988 0.001 700 HG3 LYS 85 1HG LYS 85 12.874 6.759 1.212 701 HD2 LYS 85 2HD LYS 85 14.039 8.787 0.352 702 HD3 LYS 85 1HD LYS 85 12.746 9.019 -0.828 703 HE2 LYS 85 2HE LYS 85 12.382 9.063 2.188 704 HE3 LYS 85 1HE LYS 85 12.502 10.486 1.156 705 HZ1 LYS 85 3HZ LYS 85 10.213 9.933 1.684 706 HZ2 LYS 85 1HZ LYS 85 10.392 8.409 0.975 707 HZ3 LYS 85 2HZ LYS 85 10.494 9.798 0.020 708 H ALA 86 H ALA 86 11.747 3.125 0.448 709 HA ALA 86 HA ALA 86 9.484 3.117 -1.368 710 HB1 ALA 86 3HB ALA 86 9.856 1.807 1.361 711 HB2 ALA 86 1HB ALA 86 10.211 1.059 -0.202 712 HB3 ALA 86 2HB ALA 86 8.549 1.473 0.218 713 H VAL 87 H VAL 87 7.413 3.987 -0.932 714 HA VAL 87 HA VAL 87 7.209 6.162 0.977 715 HB VAL 87 HB VAL 87 5.024 4.933 -0.788 716 HG11 VAL 87 1HG1 VAL 87 5.016 7.603 0.671 717 HG12 VAL 87 2HG1 VAL 87 4.051 6.189 1.094 718 HG13 VAL 87 3HG1 VAL 87 3.762 7.024 -0.432 719 HG21 VAL 87 3HG2 VAL 87 6.865 5.833 -2.140 720 HG22 VAL 87 1HG2 VAL 87 6.744 7.384 -1.305 721 HG23 VAL 87 2HG2 VAL 87 5.416 6.822 -2.325 722 H SER 88 H SER 88 7.485 5.205 2.987 723 HA SER 88 HA SER 88 6.038 2.855 3.838 724 HB2 SER 88 2HB SER 88 8.350 3.395 4.656 725 HB3 SER 88 1HB SER 88 7.713 4.815 5.481 726 HG SER 88 HG SER 88 7.896 3.061 6.897 727 H ILE 89 H ILE 89 3.927 3.006 4.265 728 HA ILE 89 HA ILE 89 2.736 5.475 5.367 729 HB ILE 89 HB ILE 89 1.332 3.022 4.185 730 HG12 ILE 89 2HG1 ILE 89 1.906 5.693 2.809 731 HG13 ILE 89 1HG1 ILE 89 2.739 4.184 2.473 732 HG21 ILE 89 1HG2 ILE 89 -0.088 4.299 5.739 733 HG22 ILE 89 2HG2 ILE 89 -0.668 4.472 4.084 734 HG23 ILE 89 3HG2 ILE 89 0.234 5.785 4.841 735 HD11 ILE 89 3HD1 ILE 89 0.633 3.211 1.682 736 HD12 ILE 89 1HD1 ILE 89 1.109 4.648 0.776 737 HD13 ILE 89 2HD1 ILE 89 -0.177 4.754 1.978 738 HA PRO 90 HA PRO 90 2.759 2.819 9.191 739 HB2 PRO 90 2HB PRO 90 2.340 5.417 10.612 740 HB3 PRO 90 1HB PRO 90 3.653 4.237 10.805 741 HG2 PRO 90 2HG PRO 90 4.088 6.634 9.668 742 HG3 PRO 90 1HG PRO 90 4.948 5.173 9.123 743 HD2 PRO 90 2HD PRO 90 2.541 6.518 7.874 744 HD3 PRO 90 1HD PRO 90 4.019 5.900 7.097 745 H LEU 91 H LEU 91 0.803 1.790 9.250 746 HA LEU 91 HA LEU 91 -1.726 3.198 9.091 747 HB2 LEU 91 2HB LEU 91 -1.268 0.296 9.874 748 HB3 LEU 91 1HB LEU 91 -2.772 1.017 9.326 749 HG LEU 91 HG LEU 91 -0.289 0.463 7.660 750 HD11 LEU 91 1HD1 LEU 91 -1.778 -1.039 6.409 751 HD12 LEU 91 2HD1 LEU 91 -3.090 -0.684 7.536 752 HD13 LEU 91 3HD1 LEU 91 -1.634 -1.509 8.102 753 HD21 LEU 91 3HD2 LEU 91 -1.208 2.592 6.925 754 HD22 LEU 91 1HD2 LEU 91 -2.825 1.892 6.803 755 HD23 LEU 91 2HD2 LEU 91 -1.537 1.347 5.724 756 H ASP 92 H ASP 92 -1.927 4.541 10.810 757 HA ASP 92 HA ASP 92 -0.940 4.032 13.407 758 HB2 ASP 92 2HB ASP 92 -1.461 6.332 12.397 759 HB3 ASP 92 1HB ASP 92 -3.159 6.020 12.733 760 H LEU 93 H LEU 93 -1.661 2.222 14.358 761 HA LEU 93 HA LEU 93 -4.559 1.825 14.857 762 HB2 LEU 93 2HB LEU 93 -2.285 -0.189 15.208 763 HB3 LEU 93 1HB LEU 93 -4.005 -0.517 15.344 764 HG LEU 93 HG LEU 93 -2.447 0.090 12.801 765 HD11 LEU 93 1HD1 LEU 93 -2.199 -2.199 13.592 766 HD12 LEU 93 2HD1 LEU 93 -3.134 -2.148 12.100 767 HD13 LEU 93 3HD1 LEU 93 -3.953 -2.398 13.644 768 HD21 LEU 93 3HD2 LEU 93 -4.549 -0.183 11.543 769 HD22 LEU 93 1HD2 LEU 93 -4.595 1.222 12.606 770 HD23 LEU 93 2HD2 LEU 93 -5.451 -0.254 13.059 771 H GLY 94 H GLY 94 -2.961 3.837 16.155 772 HA2 GLY 94 2HA GLY 94 -2.114 2.982 18.762 773 HA3 GLY 94 1HA GLY 94 -2.357 4.638 18.224 774 H GLU 95 H GLU 95 -4.814 5.110 17.766 775 HA GLU 95 HA GLU 95 -6.215 4.665 20.286 776 HB2 GLU 95 2HB GLU 95 -6.104 6.946 19.297 777 HB3 GLU 95 1HB GLU 95 -6.965 6.374 17.870 778 HG2 GLU 95 2HG GLU 95 -8.925 5.824 19.326 779 HG3 GLU 95 1HG GLU 95 -8.058 6.506 20.699 780 H ARG 96 H ARG 96 -6.936 4.304 16.809 781 HA ARG 96 HA ARG 96 -9.572 3.345 17.165 782 HB2 ARG 96 2HB ARG 96 -7.858 3.322 14.659 783 HB3 ARG 96 1HB ARG 96 -9.594 3.012 14.708 784 HG2 ARG 96 2HG ARG 96 -9.787 5.377 15.777 785 HG3 ARG 96 1HG ARG 96 -8.131 5.613 15.206 786 HD2 ARG 96 2HD ARG 96 -9.752 6.511 13.589 787 HD3 ARG 96 1HD ARG 96 -8.867 5.153 12.890 788 HE ARG 96 HE ARG 96 -10.805 3.939 12.798 789 HH11 ARG 96 1HH1 ARG 96 -11.478 6.796 14.788 790 HH12 ARG 96 2HH1 ARG 96 -13.188 6.484 14.832 791 HH21 ARG 96 1HH2 ARG 96 -13.021 3.539 12.945 792 HH22 ARG 96 2HH2 ARG 96 -14.051 4.651 13.796 793 H ALA 97 H ALA 97 -6.680 1.579 17.426 794 HA ALA 97 HA ALA 97 -7.545 -0.998 16.630 795 HB1 ALA 97 3HB ALA 97 -5.849 -1.855 18.192 796 HB2 ALA 97 1HB ALA 97 -5.697 -0.249 18.914 797 HB3 ALA 97 2HB ALA 97 -5.221 -0.512 17.237 798 H SER 98 H SER 98 -8.484 1.020 19.300 799 HA SER 98 HA SER 98 -9.491 -0.957 21.070 800 HB2 SER 98 2HB SER 98 -10.590 0.973 22.217 801 HB3 SER 98 1HB SER 98 -8.892 1.297 21.856 802 HG SER 98 HG SER 98 -10.864 2.811 21.235 803 H GLU 99 H GLU 99 -10.716 0.105 18.066 804 HA GLU 99 HA GLU 99 -13.481 0.083 18.385 805 HB2 GLU 99 2HB GLU 99 -11.789 -0.828 16.028 806 HB3 GLU 99 1HB GLU 99 -13.546 -0.737 15.952 807 HG2 GLU 99 2HG GLU 99 -11.631 1.572 16.393 808 HG3 GLU 99 1HG GLU 99 -12.564 1.232 14.937 809 H TRP 100 H TRP 100 -11.291 -2.734 17.891 810 HA TRP 100 HA TRP 100 -13.573 -4.554 18.010 811 HB2 TRP 100 2HB TRP 100 -12.025 -6.370 17.488 812 HB3 TRP 100 1HB TRP 100 -11.839 -5.049 16.348 813 HD1 TRP 100 HD1 TRP 100 -9.474 -3.746 16.353 814 HE1 TRP 100 HE1 TRP 100 -7.154 -4.418 17.235 815 HE3 TRP 100 HE3 TRP 100 -10.841 -7.604 19.434 816 HZ2 TRP 100 HZ2 TRP 100 -6.042 -6.319 18.985 817 HZ3 TRP 100 HZ3 TRP 100 -9.083 -8.800 20.677 818 HH2 TRP 100 HH2 TRP 100 -6.729 -8.170 20.457 819 H ILE 101 H ILE 101 -11.312 -3.228 20.260 820 HA ILE 101 HA ILE 101 -11.684 -5.199 22.330 821 HB ILE 101 HB ILE 101 -10.738 -2.293 22.479 822 HG12 ILE 101 2HG1 ILE 101 -8.601 -3.408 23.351 823 HG13 ILE 101 1HG1 ILE 101 -9.313 -4.961 22.938 824 HG21 ILE 101 1HG2 ILE 101 -11.097 -4.188 24.842 825 HG22 ILE 101 2HG2 ILE 101 -11.991 -2.693 24.554 826 HG23 ILE 101 3HG2 ILE 101 -10.265 -2.631 24.904 827 HD11 ILE 101 3HD1 ILE 101 -7.722 -4.228 21.269 828 HD12 ILE 101 1HD1 ILE 101 -8.641 -2.746 21.007 829 HD13 ILE 101 2HD1 ILE 101 -9.343 -4.308 20.580 830 H ILE 102 H ILE 102 -13.684 -5.655 22.983 831 HA ILE 102 HA ILE 102 -15.685 -3.506 23.358 832 HB ILE 102 HB ILE 102 -16.156 -6.499 22.970 833 HG12 ILE 102 2HG1 ILE 102 -15.413 -5.429 20.865 834 HG13 ILE 102 1HG1 ILE 102 -17.104 -5.895 20.753 835 HG21 ILE 102 1HG2 ILE 102 -17.883 -5.513 24.397 836 HG22 ILE 102 2HG2 ILE 102 -18.556 -5.915 22.821 837 HG23 ILE 102 3HG2 ILE 102 -18.177 -4.236 23.211 838 HD11 ILE 102 3HD1 ILE 102 -16.720 -3.745 19.719 839 HD12 ILE 102 1HD1 ILE 102 -16.047 -3.107 21.217 840 HD13 ILE 102 2HD1 ILE 102 -17.754 -3.551 21.134 841 H LEU 103 H LEU 103 -16.224 -3.031 25.377 842 HA LEU 103 HA LEU 103 -14.989 -4.388 27.617 843 HB2 LEU 103 2HB LEU 103 -16.726 -1.898 27.435 844 HB3 LEU 103 1HB LEU 103 -16.116 -2.533 28.951 845 HG LEU 103 HG LEU 103 -13.752 -2.176 28.057 846 HD11 LEU 103 1HD1 LEU 103 -14.176 -2.064 25.669 847 HD12 LEU 103 2HD1 LEU 103 -13.397 -0.585 26.224 848 HD13 LEU 103 3HD1 LEU 103 -15.129 -0.592 25.875 849 HD21 LEU 103 3HD2 LEU 103 -13.736 0.236 28.551 850 HD22 LEU 103 1HD2 LEU 103 -14.751 -0.658 29.683 851 HD23 LEU 103 2HD2 LEU 103 -15.495 0.285 28.389 852 H GLU 104 H GLU 104 -17.980 -4.663 26.000 853 HA GLU 104 HA GLU 104 -19.651 -5.484 28.182 854 HB2 GLU 104 2HB GLU 104 -20.005 -6.200 25.235 855 HB3 GLU 104 1HB GLU 104 -21.238 -6.235 26.486 856 HG2 GLU 104 2HG GLU 104 -19.901 -3.778 25.333 857 HG3 GLU 104 1HG GLU 104 -21.549 -4.311 25.030 Start of MODEL 17 1 H1 MET 1 1H MET 1 -11.458 -1.828 2.035 2 H2 MET 1 2H MET 1 -12.861 -1.386 1.209 3 H3 MET 1 3H MET 1 -11.948 -0.215 2.007 4 HA MET 1 HA MET 1 -11.644 -0.178 -0.408 5 HB2 MET 1 2HB MET 1 -9.819 0.606 1.136 6 HB3 MET 1 1HB MET 1 -9.149 -1.016 1.155 7 HG2 MET 1 2HG MET 1 -8.856 -0.776 -1.375 8 HG3 MET 1 1HG MET 1 -9.228 0.931 -1.155 9 HE1 MET 1 3HE MET 1 -6.183 2.116 1.058 10 HE2 MET 1 1HE MET 1 -7.757 1.593 1.658 11 HE3 MET 1 2HE MET 1 -7.654 2.625 0.229 12 H THR 2 H THR 2 -11.261 -1.325 -2.279 13 HA THR 2 HA THR 2 -10.623 -4.216 -2.104 14 HB THR 2 HB THR 2 -11.483 -4.258 -4.504 15 HG1 THR 2 HG1 THR 2 -12.595 -1.697 -3.922 16 HG21 THR 2 3HG2 THR 2 -13.880 -4.162 -3.922 17 HG22 THR 2 1HG2 THR 2 -13.498 -3.302 -2.429 18 HG23 THR 2 2HG2 THR 2 -12.966 -4.972 -2.649 19 H GLY 3 H GLY 3 -9.231 -5.012 -3.914 20 HA2 GLY 3 2HA GLY 3 -6.754 -3.685 -4.148 21 HA3 GLY 3 1HA GLY 3 -7.284 -5.051 -5.120 22 H GLN 4 H GLN 4 -9.653 -3.543 -6.064 23 HA GLN 4 HA GLN 4 -8.742 -2.250 -8.383 24 HB2 GLN 4 2HB GLN 4 -11.040 -3.144 -8.144 25 HB3 GLN 4 1HB GLN 4 -11.392 -1.965 -6.890 26 HG2 GLN 4 2HG GLN 4 -12.434 -1.321 -8.995 27 HG3 GLN 4 1HG GLN 4 -11.217 -0.139 -8.526 28 HE21 GLN 4 1HE2 GLN 4 -10.542 -3.263 -10.084 29 HE22 GLN 4 2HE2 GLN 4 -9.973 -2.587 -11.565 30 H GLU 5 H GLU 5 -10.069 -0.873 -5.360 31 HA GLU 5 HA GLU 5 -9.734 1.849 -6.058 32 HB2 GLU 5 2HB GLU 5 -10.091 0.561 -3.310 33 HB3 GLU 5 1HB GLU 5 -10.246 2.286 -3.646 34 HG2 GLU 5 2HG GLU 5 -12.177 1.854 -5.109 35 HG3 GLU 5 1HG GLU 5 -11.985 0.118 -4.851 36 H LEU 6 H LEU 6 -7.714 -0.403 -4.217 37 HA LEU 6 HA LEU 6 -5.811 1.455 -3.247 38 HB2 LEU 6 2HB LEU 6 -6.114 -0.835 -2.316 39 HB3 LEU 6 1HB LEU 6 -5.478 -1.523 -3.802 40 HG LEU 6 HG LEU 6 -3.254 -0.514 -3.344 41 HD11 LEU 6 1HD1 LEU 6 -4.452 0.528 -0.754 42 HD12 LEU 6 2HD1 LEU 6 -3.921 1.503 -2.127 43 HD13 LEU 6 3HD1 LEU 6 -2.744 0.576 -1.204 44 HD21 LEU 6 3HD2 LEU 6 -4.341 -2.119 -1.010 45 HD22 LEU 6 1HD2 LEU 6 -2.636 -1.911 -1.419 46 HD23 LEU 6 2HD2 LEU 6 -3.705 -2.767 -2.525 47 H ARG 7 H ARG 7 -5.881 -0.608 -6.171 48 HA ARG 7 HA ARG 7 -3.399 0.128 -7.301 49 HB2 ARG 7 2HB ARG 7 -4.825 -1.782 -8.106 50 HB3 ARG 7 1HB ARG 7 -5.973 -0.627 -8.768 51 HG2 ARG 7 2HG ARG 7 -4.179 0.224 -10.285 52 HG3 ARG 7 1HG ARG 7 -3.094 -1.017 -9.657 53 HD2 ARG 7 2HD ARG 7 -4.696 -2.761 -10.462 54 HD3 ARG 7 1HD ARG 7 -5.691 -1.481 -11.162 55 HE ARG 7 HE ARG 7 -3.585 -0.923 -12.500 56 HH11 ARG 7 1HH1 ARG 7 -4.415 -4.198 -11.497 57 HH12 ARG 7 2HH1 ARG 7 -3.592 -4.939 -12.832 58 HH21 ARG 7 1HH2 ARG 7 -2.524 -1.919 -14.253 59 HH22 ARG 7 2HH2 ARG 7 -2.522 -3.650 -14.398 60 H GLN 8 H GLN 8 -6.666 1.434 -7.709 61 HA GLN 8 HA GLN 8 -6.032 3.383 -9.668 62 HB2 GLN 8 2HB GLN 8 -8.439 3.052 -7.828 63 HB3 GLN 8 1HB GLN 8 -8.332 4.324 -9.040 64 HG2 GLN 8 2HG GLN 8 -8.306 1.342 -9.589 65 HG3 GLN 8 1HG GLN 8 -9.658 2.438 -9.840 66 HE21 GLN 8 1HE2 GLN 8 -8.096 4.606 -10.996 67 HE22 GLN 8 2HE2 GLN 8 -7.598 4.076 -12.561 68 H LEU 9 H LEU 9 -5.743 3.363 -6.207 69 HA LEU 9 HA LEU 9 -5.621 6.198 -5.780 70 HB2 LEU 9 2HB LEU 9 -6.097 4.528 -3.997 71 HB3 LEU 9 1HB LEU 9 -4.482 3.865 -4.177 72 HG LEU 9 HG LEU 9 -3.506 5.983 -3.322 73 HD11 LEU 9 1HD1 LEU 9 -6.363 6.918 -2.936 74 HD12 LEU 9 2HD1 LEU 9 -5.188 7.581 -4.076 75 HD13 LEU 9 3HD1 LEU 9 -4.912 7.733 -2.343 76 HD21 LEU 9 3HD2 LEU 9 -4.206 5.742 -0.986 77 HD22 LEU 9 1HD2 LEU 9 -4.011 4.165 -1.751 78 HD23 LEU 9 2HD2 LEU 9 -5.628 4.822 -1.484 79 H LEU 10 H LEU 10 -3.247 3.646 -6.400 80 HA LEU 10 HA LEU 10 -0.885 5.272 -6.273 81 HB2 LEU 10 2HB LEU 10 -1.228 2.609 -7.709 82 HB3 LEU 10 1HB LEU 10 0.269 3.295 -7.098 83 HG LEU 10 HG LEU 10 -2.040 2.391 -5.329 84 HD11 LEU 10 1HD1 LEU 10 -1.069 0.468 -6.479 85 HD12 LEU 10 2HD1 LEU 10 -0.701 0.436 -4.758 86 HD13 LEU 10 3HD1 LEU 10 0.542 0.923 -5.915 87 HD21 LEU 10 3HD2 LEU 10 0.782 3.211 -4.598 88 HD22 LEU 10 1HD2 LEU 10 -0.425 2.560 -3.486 89 HD23 LEU 10 2HD2 LEU 10 -0.700 4.116 -4.268 90 H LEU 11 H LEU 11 -3.150 4.337 -8.774 91 HA LEU 11 HA LEU 11 -1.700 5.404 -11.026 92 HB2 LEU 11 2HB LEU 11 -4.600 4.526 -10.703 93 HB3 LEU 11 1HB LEU 11 -3.904 5.038 -12.234 94 HG LEU 11 HG LEU 11 -2.939 2.635 -10.634 95 HD11 LEU 11 1HD1 LEU 11 -5.210 2.260 -11.479 96 HD12 LEU 11 2HD1 LEU 11 -4.042 1.250 -12.325 97 HD13 LEU 11 3HD1 LEU 11 -4.694 2.691 -13.114 98 HD21 LEU 11 3HD2 LEU 11 -1.680 2.067 -12.671 99 HD22 LEU 11 1HD2 LEU 11 -1.169 3.617 -12.002 100 HD23 LEU 11 2HD2 LEU 11 -2.210 3.570 -13.428 101 H ASP 12 H ASP 12 -4.144 6.560 -8.796 102 HA ASP 12 HA ASP 12 -5.015 8.880 -10.190 103 HB2 ASP 12 2HB ASP 12 -6.371 7.960 -8.383 104 HB3 ASP 12 1HB ASP 12 -5.065 8.143 -7.219 105 H LYS 13 H LYS 13 -2.488 8.246 -7.811 106 HA LYS 13 HA LYS 13 -1.780 11.064 -7.578 107 HB2 LYS 13 2HB LYS 13 -1.943 9.389 -5.608 108 HB3 LYS 13 1HB LYS 13 -0.430 8.703 -6.190 109 HG2 LYS 13 2HG LYS 13 -0.050 10.290 -4.354 110 HG3 LYS 13 1HG LYS 13 0.705 10.864 -5.849 111 HD2 LYS 13 2HD LYS 13 -1.217 12.388 -6.230 112 HD3 LYS 13 1HD LYS 13 -1.982 11.807 -4.746 113 HE2 LYS 13 2HE LYS 13 -0.871 13.980 -4.433 114 HE3 LYS 13 1HE LYS 13 -0.141 12.735 -3.419 115 HZ1 LYS 13 3HZ LYS 13 1.593 12.518 -5.171 116 HZ2 LYS 13 1HZ LYS 13 1.580 14.015 -4.388 117 HZ3 LYS 13 2HZ LYS 13 0.936 13.867 -5.942 118 H TRP 14 H TRP 14 -0.014 8.016 -8.304 119 HA TRP 14 HA TRP 14 2.257 9.601 -9.314 120 HB2 TRP 14 2HB TRP 14 2.075 6.681 -8.457 121 HB3 TRP 14 1HB TRP 14 3.547 7.480 -9.007 122 HD1 TRP 14 HD1 TRP 14 3.633 10.094 -7.405 123 HE1 TRP 14 HE1 TRP 14 3.873 10.131 -4.847 124 HE3 TRP 14 HE3 TRP 14 1.912 5.391 -6.328 125 HZ2 TRP 14 HZ2 TRP 14 3.411 8.439 -2.668 126 HZ3 TRP 14 HZ3 TRP 14 1.858 4.685 -3.971 127 HH2 TRP 14 HH2 TRP 14 2.588 6.174 -2.178 128 H GLY 15 H GLY 15 -0.129 7.248 -10.361 129 HA2 GLY 15 2HA GLY 15 -0.830 6.785 -12.526 130 HA3 GLY 15 1HA GLY 15 0.518 7.710 -13.160 131 H TYR 16 H TYR 16 1.222 5.276 -10.833 132 HA TYR 16 HA TYR 16 1.909 3.254 -12.875 133 HB2 TYR 16 2HB TYR 16 3.736 4.086 -10.570 134 HB3 TYR 16 1HB TYR 16 4.040 2.757 -11.679 135 HD1 TYR 16 HD1 TYR 16 4.697 3.227 -14.047 136 HD2 TYR 16 HD2 TYR 16 4.194 6.398 -11.222 137 HE1 TYR 16 HE1 TYR 16 5.902 4.756 -15.547 138 HE2 TYR 16 HE2 TYR 16 5.398 7.925 -12.728 139 HH TYR 16 HH TYR 16 7.008 7.821 -14.569 140 H SER 17 H SER 17 1.510 1.172 -12.235 141 HA SER 17 HA SER 17 -0.116 0.814 -9.845 142 HB2 SER 17 2HB SER 17 0.638 -1.266 -11.945 143 HB3 SER 17 1HB SER 17 -0.684 -1.358 -10.782 144 HG SER 17 HG SER 17 -1.710 0.311 -11.868 145 H TYR 18 H TYR 18 1.778 1.294 -8.413 146 HA TYR 18 HA TYR 18 3.978 -0.530 -8.195 147 HB2 TYR 18 2HB TYR 18 2.869 1.413 -6.122 148 HB3 TYR 18 1HB TYR 18 4.411 0.575 -6.005 149 HD1 TYR 18 HD1 TYR 18 6.167 1.052 -7.886 150 HD2 TYR 18 HD2 TYR 18 2.786 3.558 -7.132 151 HE1 TYR 18 HE1 TYR 18 7.317 2.931 -8.982 152 HE2 TYR 18 HE2 TYR 18 3.938 5.430 -8.227 153 HH TYR 18 HH TYR 18 6.249 6.144 -8.731 154 H ASP 19 H ASP 19 4.353 -2.101 -6.493 155 HA ASP 19 HA ASP 19 1.890 -3.256 -5.324 156 HB2 ASP 19 2HB ASP 19 3.177 -5.274 -4.913 157 HB3 ASP 19 1HB ASP 19 3.359 -4.796 -6.594 158 H VAL 20 H VAL 20 1.693 -3.610 -3.097 159 HA VAL 20 HA VAL 20 3.468 -1.965 -1.363 160 HB VAL 20 HB VAL 20 1.430 -1.374 -0.030 161 HG11 VAL 20 1HG1 VAL 20 1.209 -0.560 -2.957 162 HG12 VAL 20 2HG1 VAL 20 2.234 0.206 -1.743 163 HG13 VAL 20 3HG1 VAL 20 0.481 0.283 -1.584 164 HG21 VAL 20 3HG2 VAL 20 0.004 -3.283 -0.621 165 HG22 VAL 20 1HG2 VAL 20 -0.117 -2.707 -2.286 166 HG23 VAL 20 2HG2 VAL 20 -0.827 -1.768 -0.967 167 H GLN 21 H GLN 21 3.691 -2.699 0.851 168 HA GLN 21 HA GLN 21 2.822 -5.459 1.446 169 HB2 GLN 21 2HB GLN 21 5.148 -6.104 2.117 170 HB3 GLN 21 1HB GLN 21 4.995 -5.792 0.394 171 HG2 GLN 21 2HG GLN 21 6.109 -3.671 0.591 172 HG3 GLN 21 1HG GLN 21 6.072 -3.744 2.350 173 HE21 GLN 21 1HE2 GLN 21 7.583 -5.039 -0.536 174 HE22 GLN 21 2HE2 GLN 21 8.960 -5.709 0.262 175 H PHE 22 H PHE 22 2.480 -5.858 3.603 176 HA PHE 22 HA PHE 22 2.719 -3.712 5.545 177 HB2 PHE 22 2HB PHE 22 1.755 -6.598 5.787 178 HB3 PHE 22 1HB PHE 22 1.801 -5.474 7.143 179 HD1 PHE 22 HD1 PHE 22 0.511 -3.226 6.867 180 HD2 PHE 22 HD2 PHE 22 -0.179 -6.673 4.432 181 HE1 PHE 22 HE1 PHE 22 -1.713 -2.367 6.269 182 HE2 PHE 22 HE2 PHE 22 -2.393 -5.802 3.857 183 HZ PHE 22 HZ PHE 22 -3.166 -3.654 4.761 184 H ARG 23 H ARG 23 4.334 -3.428 6.917 185 HA ARG 23 HA ARG 23 6.292 -5.589 7.438 186 HB2 ARG 23 2HB ARG 23 7.283 -3.849 5.975 187 HB3 ARG 23 1HB ARG 23 6.844 -2.593 7.134 188 HG2 ARG 23 2HG ARG 23 8.348 -3.680 8.822 189 HG3 ARG 23 1HG ARG 23 8.829 -4.856 7.595 190 HD2 ARG 23 2HD ARG 23 9.753 -3.037 6.212 191 HD3 ARG 23 1HD ARG 23 9.245 -1.854 7.424 192 HE ARG 23 HE ARG 23 11.076 -3.993 8.246 193 HH11 ARG 23 1HH1 ARG 23 10.647 -0.582 7.491 194 HH12 ARG 23 2HH1 ARG 23 12.146 -0.105 8.216 195 HH21 ARG 23 1HH2 ARG 23 13.056 -3.356 9.187 196 HH22 ARG 23 2HH2 ARG 23 13.505 -1.680 9.177 197 H ARG 24 H ARG 24 6.578 -6.004 9.532 198 HA ARG 24 HA ARG 24 5.402 -4.198 11.565 199 HB2 ARG 24 2HB ARG 24 5.524 -7.242 11.444 200 HB3 ARG 24 1HB ARG 24 5.216 -6.381 12.949 201 HG2 ARG 24 2HG ARG 24 3.211 -5.331 11.933 202 HG3 ARG 24 1HG ARG 24 3.502 -6.226 10.443 203 HD2 ARG 24 2HD ARG 24 3.057 -8.336 11.541 204 HD3 ARG 24 1HD ARG 24 3.012 -7.562 13.131 205 HE ARG 24 HE ARG 24 1.057 -6.285 11.695 206 HH11 ARG 24 1HH1 ARG 24 1.642 -9.660 12.528 207 HH12 ARG 24 2HH1 ARG 24 -0.042 -10.071 12.529 208 HH21 ARG 24 1HH2 ARG 24 -1.144 -6.834 11.735 209 HH22 ARG 24 2HH2 ARG 24 -1.622 -8.467 12.079 210 H THR 25 H THR 25 7.007 -3.102 12.424 211 HA THR 25 HA THR 25 9.286 -4.473 13.649 212 HB THR 25 HB THR 25 10.248 -3.848 11.515 213 HG1 THR 25 HG1 THR 25 11.226 -1.757 13.133 214 HG21 THR 25 3HG2 THR 25 9.292 -1.006 12.014 215 HG22 THR 25 1HG2 THR 25 8.682 -2.112 10.775 216 HG23 THR 25 2HG2 THR 25 10.341 -1.521 10.693 217 H GLN 26 H GLN 26 9.922 -3.540 15.543 218 HA GLN 26 HA GLN 26 9.866 -2.348 17.457 219 HB2 GLN 26 2HB GLN 26 9.052 0.000 15.689 220 HB3 GLN 26 1HB GLN 26 9.567 0.122 17.369 221 HG2 GLN 26 2HG GLN 26 11.784 -0.860 16.685 222 HG3 GLN 26 1HG GLN 26 11.249 -0.746 15.008 223 HE21 GLN 26 1HE2 GLN 26 12.245 1.063 17.820 224 HE22 GLN 26 2HE2 GLN 26 12.475 2.576 17.022 225 H GLY 27 H GLY 27 7.362 -3.691 16.453 226 HA2 GLY 27 2HA GLY 27 5.218 -4.043 17.268 227 HA3 GLY 27 1HA GLY 27 5.479 -2.749 18.428 228 H LYS 28 H LYS 28 6.163 -1.766 15.281 229 HA LYS 28 HA LYS 28 3.625 -0.277 15.035 230 HB2 LYS 28 2HB LYS 28 6.324 0.196 13.682 231 HB3 LYS 28 1HB LYS 28 4.923 1.263 13.602 232 HG2 LYS 28 2HG LYS 28 5.164 1.906 15.903 233 HG3 LYS 28 1HG LYS 28 6.334 0.617 16.211 234 HD2 LYS 28 2HD LYS 28 7.969 1.717 14.726 235 HD3 LYS 28 1HD LYS 28 6.811 2.999 14.362 236 HE2 LYS 28 2HE LYS 28 7.952 2.408 17.117 237 HE3 LYS 28 1HE LYS 28 8.508 3.687 16.034 238 HZ1 LYS 28 3HZ LYS 28 6.973 4.518 17.695 239 HZ2 LYS 28 1HZ LYS 28 5.770 3.464 17.161 240 HZ3 LYS 28 2HZ LYS 28 6.328 4.699 16.149 241 H ILE 29 H ILE 29 2.976 0.117 12.677 242 HA ILE 29 HA ILE 29 3.578 -2.164 10.889 243 HB ILE 29 HB ILE 29 1.433 -2.698 11.915 244 HG12 ILE 29 2HG1 ILE 29 -0.041 -2.858 9.880 245 HG13 ILE 29 1HG1 ILE 29 1.047 -1.767 9.027 246 HG21 ILE 29 1HG2 ILE 29 0.701 -0.524 12.670 247 HG22 ILE 29 2HG2 ILE 29 -0.570 -1.264 11.692 248 HG23 ILE 29 3HG2 ILE 29 0.444 0.008 11.008 249 HD11 ILE 29 3HD1 ILE 29 1.436 -4.087 8.411 250 HD12 ILE 29 1HD1 ILE 29 1.743 -4.506 10.094 251 HD13 ILE 29 2HD1 ILE 29 2.851 -3.433 9.234 252 H PHE 30 H PHE 30 4.123 -1.557 8.933 253 HA PHE 30 HA PHE 30 3.600 1.185 7.938 254 HB2 PHE 30 2HB PHE 30 6.223 -0.375 7.710 255 HB3 PHE 30 1HB PHE 30 5.907 1.211 7.013 256 HD1 PHE 30 HD1 PHE 30 5.340 3.145 8.658 257 HD2 PHE 30 HD2 PHE 30 7.147 -0.530 9.903 258 HE1 PHE 30 HE1 PHE 30 6.151 4.229 10.713 259 HE2 PHE 30 HE2 PHE 30 7.954 0.571 11.953 260 HZ PHE 30 HZ PHE 30 7.454 2.948 12.357 261 H LEU 31 H LEU 31 2.501 1.039 6.071 262 HA LEU 31 HA LEU 31 2.703 -1.333 4.372 263 HB2 LEU 31 2HB LEU 31 0.455 -0.290 4.820 264 HB3 LEU 31 1HB LEU 31 0.989 1.171 4.001 265 HG LEU 31 HG LEU 31 1.263 -0.162 1.873 266 HD11 LEU 31 1HD1 LEU 31 1.657 -2.360 2.851 267 HD12 LEU 31 2HD1 LEU 31 0.324 -2.407 1.703 268 HD13 LEU 31 3HD1 LEU 31 -0.007 -2.422 3.439 269 HD21 LEU 31 3HD2 LEU 31 -0.814 1.092 2.261 270 HD22 LEU 31 1HD2 LEU 31 -1.525 -0.306 3.071 271 HD23 LEU 31 2HD2 LEU 31 -1.126 -0.384 1.351 272 H GLN 32 H GLN 32 4.659 -1.266 3.367 273 HA GLN 32 HA GLN 32 5.842 1.183 2.354 274 HB2 GLN 32 2HB GLN 32 6.767 -1.724 2.322 275 HB3 GLN 32 1HB GLN 32 7.717 -0.396 1.657 276 HG2 GLN 32 2HG GLN 32 7.852 0.635 3.894 277 HG3 GLN 32 1HG GLN 32 6.890 -0.683 4.567 278 HE21 GLN 32 1HE2 GLN 32 9.692 0.214 5.114 279 HE22 GLN 32 2HE2 GLN 32 10.667 -1.197 4.904 280 H VAL 33 H VAL 33 4.937 1.921 0.521 281 HA VAL 33 HA VAL 33 4.162 0.344 -1.735 282 HB VAL 33 HB VAL 33 4.928 3.311 -1.766 283 HG11 VAL 33 1HG1 VAL 33 4.713 2.274 -3.987 284 HG12 VAL 33 2HG1 VAL 33 3.413 3.431 -3.708 285 HG13 VAL 33 3HG1 VAL 33 3.092 1.701 -3.580 286 HG21 VAL 33 3HG2 VAL 33 2.558 3.849 -1.368 287 HG22 VAL 33 1HG2 VAL 33 3.246 2.963 -0.004 288 HG23 VAL 33 2HG2 VAL 33 2.191 2.136 -1.152 289 H MET 34 H MET 34 5.679 -0.837 -2.748 290 HA MET 34 HA MET 34 8.473 -0.358 -2.794 291 HB2 MET 34 2HB MET 34 6.761 -2.136 -4.581 292 HB3 MET 34 1HB MET 34 8.518 -2.192 -4.510 293 HG2 MET 34 2HG MET 34 6.759 -2.747 -2.114 294 HG3 MET 34 1HG MET 34 7.273 -3.996 -3.242 295 HE1 MET 34 3HE MET 34 8.844 -1.063 -0.956 296 HE2 MET 34 1HE MET 34 9.770 -2.125 0.102 297 HE3 MET 34 2HE MET 34 8.016 -2.281 0.016 298 H TRP 35 H TRP 35 9.794 0.110 -4.618 299 HA TRP 35 HA TRP 35 8.886 2.241 -6.340 300 HB2 TRP 35 2HB TRP 35 11.326 2.153 -7.151 301 HB3 TRP 35 1HB TRP 35 11.083 2.525 -5.452 302 HD1 TRP 35 HD1 TRP 35 12.587 -0.161 -7.733 303 HE1 TRP 35 HE1 TRP 35 13.926 -1.821 -6.298 304 HE3 TRP 35 HE3 TRP 35 11.205 1.462 -3.065 305 HZ2 TRP 35 HZ2 TRP 35 14.347 -2.373 -3.576 306 HZ3 TRP 35 HZ3 TRP 35 12.118 0.298 -1.099 307 HH2 TRP 35 HH2 TRP 35 13.658 -1.584 -1.350 308 H LYS 36 H LYS 36 8.730 -1.088 -6.571 309 HA LYS 36 HA LYS 36 9.035 -1.259 -9.470 310 HB2 LYS 36 2HB LYS 36 8.259 -3.406 -7.435 311 HB3 LYS 36 1HB LYS 36 8.601 -3.676 -9.147 312 HG2 LYS 36 2HG LYS 36 10.931 -2.832 -8.785 313 HG3 LYS 36 1HG LYS 36 10.571 -2.680 -7.061 314 HD2 LYS 36 2HD LYS 36 10.103 -5.149 -6.997 315 HD3 LYS 36 1HD LYS 36 10.601 -5.253 -8.687 316 HE2 LYS 36 2HE LYS 36 12.853 -4.505 -8.098 317 HE3 LYS 36 1HE LYS 36 12.367 -4.275 -6.416 318 HZ1 LYS 36 3HZ LYS 36 13.532 -6.351 -6.700 319 HZ2 LYS 36 1HZ LYS 36 12.428 -6.866 -7.869 320 HZ3 LYS 36 2HZ LYS 36 11.931 -6.656 -6.272 321 H TYR 37 H TYR 37 7.382 -1.544 -10.853 322 HA TYR 37 HA TYR 37 4.591 -1.476 -9.906 323 HB2 TYR 37 2HB TYR 37 4.127 0.163 -11.821 324 HB3 TYR 37 1HB TYR 37 4.986 0.819 -10.438 325 HD1 TYR 37 HD1 TYR 37 7.409 1.408 -10.622 326 HD2 TYR 37 HD2 TYR 37 5.214 0.063 -14.036 327 HE1 TYR 37 HE1 TYR 37 9.182 2.261 -12.098 328 HE2 TYR 37 HE2 TYR 37 6.984 0.918 -15.508 329 HH TYR 37 HH TYR 37 10.034 1.854 -14.381 330 H LEU 38 H LEU 38 3.064 -2.168 -11.572 331 HA LEU 38 HA LEU 38 3.757 -4.752 -12.367 332 HB2 LEU 38 2HB LEU 38 1.468 -4.047 -11.726 333 HB3 LEU 38 1HB LEU 38 1.342 -3.105 -13.205 334 HG LEU 38 HG LEU 38 1.534 -5.241 -14.537 335 HD11 LEU 38 1HD1 LEU 38 1.247 -7.404 -13.423 336 HD12 LEU 38 2HD1 LEU 38 1.340 -6.627 -11.843 337 HD13 LEU 38 3HD1 LEU 38 2.742 -6.621 -12.917 338 HD21 LEU 38 3HD2 LEU 38 -0.765 -5.168 -12.564 339 HD22 LEU 38 1HD2 LEU 38 -0.745 -6.019 -14.110 340 HD23 LEU 38 2HD2 LEU 38 -0.658 -4.260 -14.075 341 H GLU 39 H GLU 39 3.952 -1.786 -14.179 342 HA GLU 39 HA GLU 39 3.729 -2.856 -16.811 343 HB2 GLU 39 2HB GLU 39 3.389 -0.420 -16.095 344 HB3 GLU 39 1HB GLU 39 5.141 -0.275 -16.040 345 HG2 GLU 39 2HG GLU 39 4.307 0.631 -18.130 346 HG3 GLU 39 1HG GLU 39 5.254 -0.819 -18.454 347 H GLN 40 H GLN 40 6.313 -2.941 -14.532 348 HA GLN 40 HA GLN 40 8.575 -3.137 -16.264 349 HB2 GLN 40 2HB GLN 40 8.138 -4.325 -13.483 350 HB3 GLN 40 1HB GLN 40 9.696 -4.208 -14.300 351 HG2 GLN 40 2HG GLN 40 9.556 -1.748 -14.237 352 HG3 GLN 40 1HG GLN 40 7.976 -1.855 -13.457 353 HE21 GLN 40 1HE2 GLN 40 10.409 -0.592 -12.447 354 HE22 GLN 40 2HE2 GLN 40 10.779 -1.374 -10.953 355 H ALA 41 H ALA 41 9.578 -4.920 -17.155 356 HA ALA 41 HA ALA 41 8.104 -7.413 -17.539 357 HB1 ALA 41 3HB ALA 41 9.252 -6.349 -19.447 358 HB2 ALA 41 1HB ALA 41 9.910 -7.956 -19.139 359 HB3 ALA 41 2HB ALA 41 10.809 -6.519 -18.634 360 H SER 42 H SER 42 10.525 -6.177 -15.467 361 HA SER 42 HA SER 42 11.575 -8.784 -14.637 362 HB2 SER 42 2HB SER 42 13.144 -6.884 -14.961 363 HB3 SER 42 1HB SER 42 12.284 -5.953 -13.737 364 HG SER 42 HG SER 42 13.056 -7.252 -12.185 365 H PHE 43 H PHE 43 8.772 -7.297 -14.016 366 HA PHE 43 HA PHE 43 8.680 -6.926 -11.213 367 HB2 PHE 43 2HB PHE 43 7.089 -5.967 -12.986 368 HB3 PHE 43 1HB PHE 43 6.314 -7.548 -13.038 369 HD1 PHE 43 HD1 PHE 43 7.301 -4.859 -10.621 370 HD2 PHE 43 HD2 PHE 43 4.492 -7.945 -11.564 371 HE1 PHE 43 HE1 PHE 43 5.914 -4.189 -8.718 372 HE2 PHE 43 HE2 PHE 43 3.111 -7.256 -9.654 373 HZ PHE 43 HZ PHE 43 3.824 -5.380 -8.228 374 HA PRO 44 HA PRO 44 8.969 -11.259 -10.219 375 HB2 PRO 44 2HB PRO 44 8.842 -11.181 -7.520 376 HB3 PRO 44 1HB PRO 44 10.170 -10.390 -8.399 377 HG2 PRO 44 2HG PRO 44 7.654 -9.156 -7.300 378 HG3 PRO 44 1HG PRO 44 9.337 -8.609 -7.115 379 HD2 PRO 44 2HD PRO 44 7.661 -7.543 -8.982 380 HD3 PRO 44 1HD PRO 44 9.416 -7.680 -9.246 381 H MET 45 H MET 45 6.000 -9.802 -10.159 382 HA MET 45 HA MET 45 4.628 -12.345 -9.491 383 HB2 MET 45 2HB MET 45 3.689 -9.516 -8.820 384 HB3 MET 45 1HB MET 45 2.642 -10.925 -8.745 385 HG2 MET 45 2HG MET 45 4.064 -11.881 -6.978 386 HG3 MET 45 1HG MET 45 5.113 -10.467 -7.064 387 HE1 MET 45 3HE MET 45 2.926 -8.079 -7.469 388 HE2 MET 45 1HE MET 45 4.329 -7.999 -6.398 389 HE3 MET 45 2HE MET 45 2.727 -7.610 -5.779 390 H ASN 46 H ASN 46 2.881 -12.865 -10.820 391 HA ASN 46 HA ASN 46 2.622 -11.654 -13.404 392 HB2 ASN 46 2HB ASN 46 0.749 -13.587 -11.961 393 HB3 ASN 46 1HB ASN 46 0.652 -13.164 -13.668 394 HD21 ASN 46 1HD2 ASN 46 1.037 -15.763 -12.380 395 HD22 ASN 46 2HD2 ASN 46 2.506 -16.411 -13.026 396 H GLU 47 H GLU 47 0.432 -10.799 -14.150 397 HA GLU 47 HA GLU 47 -0.249 -8.482 -12.721 398 HB2 GLU 47 2HB GLU 47 -1.851 -9.873 -14.911 399 HB3 GLU 47 1HB GLU 47 -2.076 -8.208 -14.379 400 HG2 GLU 47 2HG GLU 47 0.171 -7.616 -15.181 401 HG3 GLU 47 1HG GLU 47 0.466 -9.297 -15.620 402 H THR 48 H THR 48 -1.889 -11.630 -12.928 403 HA THR 48 HA THR 48 -4.175 -11.013 -11.392 404 HB THR 48 HB THR 48 -2.844 -13.757 -11.594 405 HG1 THR 48 HG1 THR 48 -4.071 -12.205 -13.521 406 HG21 THR 48 3HG2 THR 48 -4.750 -13.616 -9.986 407 HG22 THR 48 1HG2 THR 48 -5.132 -14.631 -11.380 408 HG23 THR 48 2HG2 THR 48 -5.780 -12.992 -11.278 409 H GLU 49 H GLU 49 -0.997 -12.390 -10.485 410 HA GLU 49 HA GLU 49 -1.533 -12.894 -7.754 411 HB2 GLU 49 2HB GLU 49 1.193 -12.245 -8.957 412 HB3 GLU 49 1HB GLU 49 0.882 -13.124 -7.461 413 HG2 GLU 49 2HG GLU 49 0.340 -14.035 -10.289 414 HG3 GLU 49 1HG GLU 49 1.510 -14.698 -9.156 415 H TYR 50 H TYR 50 -0.228 -10.112 -9.443 416 HA TYR 50 HA TYR 50 0.476 -8.458 -7.288 417 HB2 TYR 50 2HB TYR 50 1.359 -7.846 -9.411 418 HB3 TYR 50 1HB TYR 50 -0.201 -7.984 -10.217 419 HD1 TYR 50 HD1 TYR 50 1.560 -5.934 -7.611 420 HD2 TYR 50 HD2 TYR 50 -1.401 -6.005 -10.692 421 HE1 TYR 50 HE1 TYR 50 1.174 -3.535 -7.308 422 HE2 TYR 50 HE2 TYR 50 -1.783 -3.599 -10.388 423 HH TYR 50 HH TYR 50 0.188 -1.682 -8.226 424 H GLN 51 H GLN 51 -2.515 -8.671 -9.195 425 HA GLN 51 HA GLN 51 -3.841 -6.472 -7.966 426 HB2 GLN 51 2HB GLN 51 -4.251 -7.259 -10.297 427 HB3 GLN 51 1HB GLN 51 -4.966 -8.737 -9.668 428 HG2 GLN 51 2HG GLN 51 -6.706 -7.201 -10.390 429 HG3 GLN 51 1HG GLN 51 -6.785 -7.425 -8.644 430 HE21 GLN 51 1HE2 GLN 51 -7.910 -5.502 -8.316 431 HE22 GLN 51 2HE2 GLN 51 -7.173 -3.948 -8.491 432 H GLU 52 H GLU 52 -3.990 -9.983 -7.503 433 HA GLU 52 HA GLU 52 -6.025 -10.011 -5.510 434 HB2 GLU 52 2HB GLU 52 -3.840 -12.028 -6.176 435 HB3 GLU 52 1HB GLU 52 -5.133 -12.327 -5.020 436 HG2 GLU 52 2HG GLU 52 -5.498 -11.800 -7.984 437 HG3 GLU 52 1HG GLU 52 -5.593 -13.369 -7.189 438 H HIS 53 H HIS 53 -2.521 -9.592 -5.426 439 HA HIS 53 HA HIS 53 -2.199 -9.783 -2.602 440 HB2 HIS 53 2HB HIS 53 -0.250 -9.971 -4.121 441 HB3 HIS 53 1HB HIS 53 -0.457 -8.296 -4.625 442 HD1 HIS 53 HD1 HIS 53 0.282 -10.278 -1.465 443 HD2 HIS 53 HD2 HIS 53 0.954 -6.514 -3.076 444 HE1 HIS 53 HE1 HIS 53 1.753 -9.098 0.185 445 HE2 HIS 53 HE2 HIS 53 2.329 -6.921 -0.933 446 H LEU 54 H LEU 54 -2.936 -7.101 -4.814 447 HA LEU 54 HA LEU 54 -2.832 -4.973 -2.956 448 HB2 LEU 54 2HB LEU 54 -4.562 -5.282 -5.438 449 HB3 LEU 54 1HB LEU 54 -4.408 -3.787 -4.526 450 HG LEU 54 HG LEU 54 -2.202 -5.162 -6.106 451 HD11 LEU 54 1HD1 LEU 54 -2.384 -3.158 -7.534 452 HD12 LEU 54 2HD1 LEU 54 -3.751 -2.597 -6.577 453 HD13 LEU 54 3HD1 LEU 54 -3.873 -4.093 -7.507 454 HD21 LEU 54 3HD2 LEU 54 -1.242 -4.081 -4.114 455 HD22 LEU 54 1HD2 LEU 54 -2.072 -2.572 -4.510 456 HD23 LEU 54 2HD2 LEU 54 -0.810 -3.198 -5.576 457 H ASP 55 H ASP 55 -5.420 -7.182 -3.917 458 HA ASP 55 HA ASP 55 -7.480 -5.925 -2.374 459 HB2 ASP 55 2HB ASP 55 -7.870 -7.328 -4.455 460 HB3 ASP 55 1HB ASP 55 -7.484 -8.765 -3.513 461 H SER 56 H SER 56 -5.198 -8.537 -1.828 462 HA SER 56 HA SER 56 -6.190 -9.478 0.665 463 HB2 SER 56 2HB SER 56 -4.635 -10.807 -0.697 464 HB3 SER 56 1HB SER 56 -3.370 -9.590 -0.507 465 HG SER 56 HG SER 56 -4.476 -11.355 1.398 466 H VAL 57 H VAL 57 -3.894 -6.942 -0.246 467 HA VAL 57 HA VAL 57 -3.121 -6.136 2.366 468 HB VAL 57 HB VAL 57 -3.046 -4.684 -0.321 469 HG11 VAL 57 1HG1 VAL 57 -3.347 -2.940 1.384 470 HG12 VAL 57 2HG1 VAL 57 -1.708 -2.888 0.744 471 HG13 VAL 57 3HG1 VAL 57 -2.009 -3.600 2.329 472 HG21 VAL 57 3HG2 VAL 57 -0.812 -5.770 1.445 473 HG22 VAL 57 1HG2 VAL 57 -0.592 -4.961 -0.110 474 HG23 VAL 57 2HG2 VAL 57 -1.415 -6.519 -0.033 475 H ALA 58 H ALA 58 -5.557 -4.968 0.092 476 HA ALA 58 HA ALA 58 -6.661 -2.888 1.623 477 HB1 ALA 58 3HB ALA 58 -6.913 -3.097 -0.813 478 HB2 ALA 58 1HB ALA 58 -8.487 -2.977 -0.030 479 HB3 ALA 58 2HB ALA 58 -7.905 -4.543 -0.601 480 H ASN 59 H ASN 59 -7.231 -6.341 1.598 481 HA ASN 59 HA ASN 59 -9.667 -6.436 3.082 482 HB2 ASN 59 2HB ASN 59 -8.780 -8.337 1.699 483 HB3 ASN 59 1HB ASN 59 -7.472 -8.552 2.856 484 HD21 ASN 59 1HD2 ASN 59 -8.075 -10.649 3.348 485 HD22 ASN 59 2HD2 ASN 59 -9.506 -11.053 4.224 486 H TYR 60 H TYR 60 -6.211 -6.592 3.997 487 HA TYR 60 HA TYR 60 -6.643 -6.781 6.819 488 HB2 TYR 60 2HB TYR 60 -4.244 -6.119 5.103 489 HB3 TYR 60 1HB TYR 60 -4.163 -5.753 6.820 490 HD1 TYR 60 HD1 TYR 60 -5.092 -7.790 8.351 491 HD2 TYR 60 HD2 TYR 60 -3.303 -8.189 4.496 492 HE1 TYR 60 HE1 TYR 60 -4.440 -10.088 8.898 493 HE2 TYR 60 HE2 TYR 60 -2.650 -10.511 5.036 494 HH TYR 60 HH TYR 60 -2.236 -11.893 7.058 495 H LEU 61 H LEU 61 -6.305 -4.055 4.602 496 HA LEU 61 HA LEU 61 -6.003 -1.981 6.500 497 HB2 LEU 61 2HB LEU 61 -7.138 -1.942 3.677 498 HB3 LEU 61 1HB LEU 61 -6.810 -0.494 4.611 499 HG LEU 61 HG LEU 61 -4.724 -2.511 3.695 500 HD11 LEU 61 1HD1 LEU 61 -5.585 -1.175 1.834 501 HD12 LEU 61 2HD1 LEU 61 -3.918 -0.746 2.201 502 HD13 LEU 61 3HD1 LEU 61 -5.234 0.316 2.714 503 HD21 LEU 61 3HD2 LEU 61 -4.064 -1.563 5.830 504 HD22 LEU 61 1HD2 LEU 61 -4.358 0.077 5.238 505 HD23 LEU 61 2HD2 LEU 61 -3.056 -0.899 4.549 506 H HIS 62 H HIS 62 -8.778 -3.783 5.496 507 HA HIS 62 HA HIS 62 -10.829 -2.062 6.572 508 HB2 HIS 62 2HB HIS 62 -11.278 -3.724 4.788 509 HB3 HIS 62 1HB HIS 62 -10.833 -5.037 5.865 510 HD1 HIS 62 HD1 HIS 62 -13.637 -2.767 4.970 511 HD2 HIS 62 HD2 HIS 62 -12.823 -5.726 7.770 512 HE1 HIS 62 HE1 HIS 62 -15.861 -3.400 5.955 513 HE2 HIS 62 HE2 HIS 62 -15.299 -4.991 7.819 514 H ALA 63 H ALA 63 -9.291 -5.109 7.642 515 HA ALA 63 HA ALA 63 -10.663 -5.397 10.095 516 HB1 ALA 63 3HB ALA 63 -7.963 -6.508 9.258 517 HB2 ALA 63 1HB ALA 63 -9.531 -7.260 8.962 518 HB3 ALA 63 2HB ALA 63 -8.936 -7.088 10.614 519 H LEU 64 H LEU 64 -7.404 -4.194 9.407 520 HA LEU 64 HA LEU 64 -6.683 -3.503 12.065 521 HB2 LEU 64 2HB LEU 64 -5.526 -2.596 9.394 522 HB3 LEU 64 1HB LEU 64 -4.753 -2.369 10.950 523 HG LEU 64 HG LEU 64 -5.294 -5.071 9.652 524 HD11 LEU 64 1HD1 LEU 64 -2.859 -5.190 9.272 525 HD12 LEU 64 2HD1 LEU 64 -2.673 -3.544 9.884 526 HD13 LEU 64 3HD1 LEU 64 -3.591 -3.841 8.404 527 HD21 LEU 64 3HD2 LEU 64 -3.756 -4.413 12.187 528 HD22 LEU 64 1HD2 LEU 64 -3.846 -6.002 11.421 529 HD23 LEU 64 2HD2 LEU 64 -5.302 -5.261 12.082 530 H GLY 65 H GLY 65 -8.363 -1.847 9.487 531 HA2 GLY 65 2HA GLY 65 -9.525 0.139 9.452 532 HA3 GLY 65 1HA GLY 65 -8.986 0.480 11.090 533 H GLY 66 H GLY 66 -6.871 -0.266 8.359 534 HA2 GLY 66 2HA GLY 66 -5.504 2.336 8.694 535 HA3 GLY 66 1HA GLY 66 -4.802 0.871 8.023 536 H ALA 67 H ALA 67 -7.844 1.177 6.676 537 HA ALA 67 HA ALA 67 -6.827 1.566 4.075 538 HB1 ALA 67 3HB ALA 67 -9.704 1.815 4.997 539 HB2 ALA 67 1HB ALA 67 -8.889 0.315 4.557 540 HB3 ALA 67 2HB ALA 67 -9.156 1.562 3.336 541 H VAL 68 H VAL 68 -8.673 3.747 6.175 542 HA VAL 68 HA VAL 68 -8.791 5.980 4.437 543 HB VAL 68 HB VAL 68 -8.872 5.970 7.507 544 HG11 VAL 68 1HG1 VAL 68 -10.126 8.092 7.295 545 HG12 VAL 68 2HG1 VAL 68 -9.913 8.051 5.544 546 HG13 VAL 68 3HG1 VAL 68 -8.509 8.233 6.595 547 HG21 VAL 68 3HG2 VAL 68 -11.334 5.888 7.286 548 HG22 VAL 68 1HG2 VAL 68 -10.582 4.464 6.561 549 HG23 VAL 68 2HG2 VAL 68 -11.178 5.767 5.530 550 H GLN 69 H GLN 69 -6.397 4.895 6.819 551 HA GLN 69 HA GLN 69 -4.787 7.222 6.933 552 HB2 GLN 69 2HB GLN 69 -3.979 4.319 7.417 553 HB3 GLN 69 1HB GLN 69 -3.016 5.721 7.869 554 HG2 GLN 69 2HG GLN 69 -5.769 5.088 8.972 555 HG3 GLN 69 1HG GLN 69 -4.247 4.692 9.766 556 HE21 GLN 69 1HE2 GLN 69 -4.685 5.911 11.580 557 HE22 GLN 69 2HE2 GLN 69 -4.719 7.635 11.590 558 H VAL 70 H VAL 70 -4.678 4.393 4.801 559 HA VAL 70 HA VAL 70 -2.267 5.019 3.402 560 HB VAL 70 HB VAL 70 -4.657 3.301 2.559 561 HG11 VAL 70 1HG1 VAL 70 -1.866 3.364 1.340 562 HG12 VAL 70 2HG1 VAL 70 -3.353 3.911 0.565 563 HG13 VAL 70 3HG1 VAL 70 -3.136 2.202 0.943 564 HG21 VAL 70 3HG2 VAL 70 -3.279 1.397 3.303 565 HG22 VAL 70 1HG2 VAL 70 -3.591 2.524 4.621 566 HG23 VAL 70 2HG2 VAL 70 -2.015 2.512 3.828 567 H LYS 71 H LYS 71 -5.712 5.519 2.675 568 HA LYS 71 HA LYS 71 -5.407 6.845 0.198 569 HB2 LYS 71 2HB LYS 71 -7.686 6.788 2.208 570 HB3 LYS 71 1HB LYS 71 -7.812 7.637 0.674 571 HG2 LYS 71 2HG LYS 71 -7.355 5.491 -0.525 572 HG3 LYS 71 1HG LYS 71 -7.306 4.666 1.035 573 HD2 LYS 71 2HD LYS 71 -9.487 4.330 -0.032 574 HD3 LYS 71 1HD LYS 71 -9.672 5.282 1.442 575 HE2 LYS 71 2HE LYS 71 -9.840 7.345 0.093 576 HE3 LYS 71 1HE LYS 71 -9.628 6.401 -1.386 577 HZ1 LYS 71 3HZ LYS 71 -11.878 6.100 0.533 578 HZ2 LYS 71 1HZ LYS 71 -11.679 5.224 -0.899 579 HZ3 LYS 71 2HZ LYS 71 -11.960 6.886 -0.956 580 H THR 72 H THR 72 -5.469 8.057 3.510 581 HA THR 72 HA THR 72 -5.588 10.838 2.886 582 HB THR 72 HB THR 72 -4.709 9.347 5.408 583 HG1 THR 72 HG1 THR 72 -7.013 9.438 4.577 584 HG21 THR 72 3HG2 THR 72 -5.183 12.341 5.094 585 HG22 THR 72 1HG2 THR 72 -3.626 11.571 5.418 586 HG23 THR 72 2HG2 THR 72 -4.913 11.495 6.619 587 H PHE 73 H PHE 73 -2.929 8.576 3.659 588 HA PHE 73 HA PHE 73 -0.854 10.495 3.747 589 HB2 PHE 73 2HB PHE 73 -0.735 8.178 4.744 590 HB3 PHE 73 1HB PHE 73 -0.563 7.516 3.124 591 HD1 PHE 73 HD1 PHE 73 1.570 7.851 1.855 592 HD2 PHE 73 HD2 PHE 73 1.103 9.364 5.828 593 HE1 PHE 73 HE1 PHE 73 4.003 8.180 2.028 594 HE2 PHE 73 HE2 PHE 73 3.532 9.682 5.986 595 HZ PHE 73 HZ PHE 73 4.987 9.093 4.090 596 H ILE 74 H ILE 74 -1.688 8.129 1.164 597 HA ILE 74 HA ILE 74 0.336 8.856 -0.643 598 HB ILE 74 HB ILE 74 -2.315 7.432 -1.159 599 HG12 ILE 74 2HG1 ILE 74 0.533 6.391 -0.751 600 HG13 ILE 74 1HG1 ILE 74 -0.806 6.228 0.379 601 HG21 ILE 74 1HG2 ILE 74 0.060 7.658 -3.052 602 HG22 ILE 74 2HG2 ILE 74 -1.521 8.406 -3.284 603 HG23 ILE 74 3HG2 ILE 74 -1.366 6.650 -3.312 604 HD11 ILE 74 3HD1 ILE 74 -0.388 4.154 -0.751 605 HD12 ILE 74 1HD1 ILE 74 -0.586 4.922 -2.326 606 HD13 ILE 74 2HD1 ILE 74 -1.962 4.783 -1.230 607 H THR 75 H THR 75 -3.101 9.878 -0.520 608 HA THR 75 HA THR 75 -3.072 11.416 -2.907 609 HB THR 75 HB THR 75 -4.937 11.693 -0.502 610 HG1 THR 75 HG1 THR 75 -4.771 9.565 -1.539 611 HG21 THR 75 3HG2 THR 75 -5.194 13.611 -2.028 612 HG22 THR 75 1HG2 THR 75 -6.595 12.543 -2.159 613 HG23 THR 75 2HG2 THR 75 -5.349 12.524 -3.408 614 H GLN 76 H GLN 76 -2.114 12.196 0.389 615 HA GLN 76 HA GLN 76 -1.935 15.087 -0.213 616 HB2 GLN 76 2HB GLN 76 -1.765 13.591 2.441 617 HB3 GLN 76 1HB GLN 76 -1.650 15.342 2.259 618 HG2 GLN 76 2HG GLN 76 -3.936 15.457 1.413 619 HG3 GLN 76 1HG GLN 76 -4.056 13.696 1.427 620 HE21 GLN 76 1HE2 GLN 76 -5.850 13.735 2.783 621 HE22 GLN 76 2HE2 GLN 76 -5.738 14.143 4.459 622 H THR 77 H THR 77 0.190 12.371 -0.098 623 HA THR 77 HA THR 77 2.525 13.935 0.721 624 HB THR 77 HB THR 77 2.353 11.531 1.427 625 HG1 THR 77 HG1 THR 77 4.468 11.517 1.457 626 HG21 THR 77 3HG2 THR 77 2.921 9.725 -0.147 627 HG22 THR 77 1HG2 THR 77 2.925 10.872 -1.495 628 HG23 THR 77 2HG2 THR 77 1.425 10.518 -0.635 629 H LYS 78 H LYS 78 4.223 14.503 -0.589 630 HA LYS 78 HA LYS 78 3.840 14.337 -3.525 631 HB2 LYS 78 2HB LYS 78 5.556 16.258 -1.881 632 HB3 LYS 78 1HB LYS 78 5.407 16.271 -3.637 633 HG2 LYS 78 2HG LYS 78 3.042 16.866 -3.482 634 HG3 LYS 78 1HG LYS 78 3.096 16.736 -1.720 635 HD2 LYS 78 2HD LYS 78 4.731 18.640 -1.664 636 HD3 LYS 78 1HD LYS 78 4.582 18.789 -3.421 637 HE2 LYS 78 2HE LYS 78 2.196 19.313 -3.197 638 HE3 LYS 78 1HE LYS 78 2.289 19.088 -1.449 639 HZ1 LYS 78 3HZ LYS 78 2.357 21.412 -2.017 640 HZ2 LYS 78 1HZ LYS 78 3.705 21.182 -3.010 641 HZ3 LYS 78 2HZ LYS 78 3.838 20.954 -1.340 642 H GLU 79 H GLU 79 5.275 12.616 -1.213 643 HA GLU 79 HA GLU 79 7.878 12.116 -2.359 644 HB2 GLU 79 2HB GLU 79 6.272 10.451 -0.361 645 HB3 GLU 79 1HB GLU 79 7.970 10.215 -0.763 646 HG2 GLU 79 2HG GLU 79 6.786 12.646 0.594 647 HG3 GLU 79 1HG GLU 79 7.699 11.363 1.381 648 H ARG 80 H ARG 80 8.470 10.455 -3.670 649 HA ARG 80 HA ARG 80 6.370 8.694 -4.799 650 HB2 ARG 80 2HB ARG 80 8.736 10.014 -6.220 651 HB3 ARG 80 1HB ARG 80 7.858 8.645 -6.906 652 HG2 ARG 80 2HG ARG 80 5.771 9.970 -6.847 653 HG3 ARG 80 1HG ARG 80 6.672 11.338 -6.218 654 HD2 ARG 80 2HD ARG 80 8.005 11.440 -8.292 655 HD3 ARG 80 1HD ARG 80 7.163 10.016 -8.913 656 HE ARG 80 HE ARG 80 5.739 12.535 -8.301 657 HH11 ARG 80 1HH1 ARG 80 6.492 9.939 -10.588 658 HH12 ARG 80 2HH1 ARG 80 5.361 10.495 -11.782 659 HH21 ARG 80 1HH2 ARG 80 4.321 13.300 -9.902 660 HH22 ARG 80 2HH2 ARG 80 4.128 12.417 -11.382 661 HA PRO 81 HA PRO 81 9.001 5.232 -3.559 662 HB2 PRO 81 2HB PRO 81 7.911 3.825 -5.977 663 HB3 PRO 81 1HB PRO 81 7.811 3.361 -4.265 664 HG2 PRO 81 2HG PRO 81 5.659 4.259 -5.592 665 HG3 PRO 81 1HG PRO 81 5.920 4.658 -3.877 666 HD2 PRO 81 2HD PRO 81 6.394 6.386 -6.309 667 HD3 PRO 81 1HD PRO 81 5.712 6.813 -4.722 668 H ARG 82 H ARG 82 11.137 5.226 -3.966 669 HA ARG 82 HA ARG 82 12.174 5.487 -6.741 670 HB2 ARG 82 2HB ARG 82 12.287 7.646 -5.372 671 HB3 ARG 82 1HB ARG 82 13.385 6.827 -4.266 672 HG2 ARG 82 2HG ARG 82 15.012 6.519 -6.088 673 HG3 ARG 82 1HG ARG 82 13.900 7.280 -7.226 674 HD2 ARG 82 2HD ARG 82 14.069 9.409 -5.949 675 HD3 ARG 82 1HD ARG 82 15.200 8.633 -4.829 676 HE ARG 82 HE ARG 82 16.038 8.420 -7.557 677 HH11 ARG 82 1HH1 ARG 82 16.055 10.620 -4.805 678 HH12 ARG 82 2HH1 ARG 82 17.446 11.491 -5.356 679 HH21 ARG 82 1HH2 ARG 82 17.847 9.574 -8.277 680 HH22 ARG 82 2HH2 ARG 82 18.464 10.890 -7.337 681 H LEU 83 H LEU 83 14.439 4.647 -6.958 682 HA LEU 83 HA LEU 83 14.564 1.978 -6.178 683 HB2 LEU 83 2HB LEU 83 15.700 2.944 -8.177 684 HB3 LEU 83 1HB LEU 83 16.846 3.749 -7.120 685 HG LEU 83 HG LEU 83 17.672 1.499 -6.347 686 HD11 LEU 83 1HD1 LEU 83 15.876 0.385 -8.521 687 HD12 LEU 83 2HD1 LEU 83 15.655 0.178 -6.781 688 HD13 LEU 83 3HD1 LEU 83 17.060 -0.523 -7.577 689 HD21 LEU 83 3HD2 LEU 83 17.838 1.941 -9.348 690 HD22 LEU 83 1HD2 LEU 83 18.954 0.977 -8.375 691 HD23 LEU 83 2HD2 LEU 83 18.851 2.720 -8.130 692 H GLY 84 H GLY 84 14.804 1.242 -4.154 693 HA2 GLY 84 2HA GLY 84 16.201 0.619 -2.339 694 HA3 GLY 84 1HA GLY 84 17.076 2.140 -2.478 695 H LYS 85 H LYS 85 14.488 3.649 -2.697 696 HA LYS 85 HA LYS 85 13.845 3.736 0.193 697 HB2 LYS 85 2HB LYS 85 13.815 5.950 -1.912 698 HB3 LYS 85 1HB LYS 85 13.221 6.148 -0.265 699 HG2 LYS 85 2HG LYS 85 15.492 5.652 0.604 700 HG3 LYS 85 1HG LYS 85 16.078 5.494 -1.053 701 HD2 LYS 85 2HD LYS 85 15.550 7.856 -1.495 702 HD3 LYS 85 1HD LYS 85 14.862 8.024 0.125 703 HE2 LYS 85 2HE LYS 85 17.100 8.972 0.083 704 HE3 LYS 85 1HE LYS 85 17.096 7.537 1.103 705 HZ1 LYS 85 3HZ LYS 85 18.052 7.628 -1.711 706 HZ2 LYS 85 1HZ LYS 85 18.107 6.290 -0.685 707 HZ3 LYS 85 2HZ LYS 85 19.042 7.658 -0.344 708 H ALA 86 H ALA 86 12.001 2.611 0.474 709 HA ALA 86 HA ALA 86 9.746 2.710 -1.384 710 HB1 ALA 86 3HB ALA 86 10.345 0.584 -0.288 711 HB2 ALA 86 1HB ALA 86 8.717 1.085 0.171 712 HB3 ALA 86 2HB ALA 86 10.062 1.301 1.298 713 H VAL 87 H VAL 87 7.688 3.582 -0.854 714 HA VAL 87 HA VAL 87 7.620 5.751 1.073 715 HB VAL 87 HB VAL 87 5.422 4.659 -0.754 716 HG11 VAL 87 1HG1 VAL 87 4.428 5.809 1.176 717 HG12 VAL 87 2HG1 VAL 87 4.193 6.752 -0.296 718 HG13 VAL 87 3HG1 VAL 87 5.433 7.228 0.871 719 HG21 VAL 87 3HG2 VAL 87 7.298 5.619 -2.016 720 HG22 VAL 87 1HG2 VAL 87 7.196 7.110 -1.076 721 HG23 VAL 87 2HG2 VAL 87 5.875 6.650 -2.152 722 H SER 88 H SER 88 7.906 4.752 3.015 723 HA SER 88 HA SER 88 6.308 2.567 4.007 724 HB2 SER 88 2HB SER 88 8.607 2.815 4.795 725 HB3 SER 88 1HB SER 88 8.307 4.464 5.337 726 HG SER 88 HG SER 88 7.393 3.731 7.095 727 H ILE 89 H ILE 89 4.177 3.124 4.064 728 HA ILE 89 HA ILE 89 3.165 5.630 5.125 729 HB ILE 89 HB ILE 89 1.662 3.084 4.337 730 HG12 ILE 89 2HG1 ILE 89 2.094 5.607 2.664 731 HG13 ILE 89 1HG1 ILE 89 2.979 4.099 2.449 732 HG21 ILE 89 1HG2 ILE 89 -0.353 4.525 4.193 733 HG22 ILE 89 2HG2 ILE 89 0.583 5.897 4.785 734 HG23 ILE 89 3HG2 ILE 89 0.313 4.500 5.828 735 HD11 ILE 89 3HD1 ILE 89 1.236 4.304 0.818 736 HD12 ILE 89 1HD1 ILE 89 0.015 4.479 2.079 737 HD13 ILE 89 2HD1 ILE 89 0.893 2.955 1.900 738 HA PRO 90 HA PRO 90 3.173 3.586 9.246 739 HB2 PRO 90 2HB PRO 90 3.084 5.847 10.779 740 HB3 PRO 90 1HB PRO 90 4.575 5.304 9.986 741 HG2 PRO 90 2HG PRO 90 2.707 7.494 9.186 742 HG3 PRO 90 1HG PRO 90 4.482 7.431 9.095 743 HD2 PRO 90 2HD PRO 90 2.775 6.962 6.942 744 HD3 PRO 90 1HD PRO 90 4.458 6.406 7.041 745 H LEU 91 H LEU 91 1.282 2.611 9.665 746 HA LEU 91 HA LEU 91 -1.278 3.969 9.331 747 HB2 LEU 91 2HB LEU 91 -0.666 1.095 10.108 748 HB3 LEU 91 1HB LEU 91 -2.254 1.725 9.702 749 HG LEU 91 HG LEU 91 0.113 1.448 7.800 750 HD11 LEU 91 1HD1 LEU 91 -1.278 -0.240 6.668 751 HD12 LEU 91 2HD1 LEU 91 -2.510 -0.072 7.923 752 HD13 LEU 91 3HD1 LEU 91 -0.910 -0.696 8.333 753 HD21 LEU 91 3HD2 LEU 91 -2.673 2.511 7.231 754 HD22 LEU 91 1HD2 LEU 91 -1.433 2.165 6.021 755 HD23 LEU 91 2HD2 LEU 91 -1.168 3.435 7.211 756 H ASP 92 H ASP 92 -1.781 5.280 10.977 757 HA ASP 92 HA ASP 92 -1.053 4.808 13.728 758 HB2 ASP 92 2HB ASP 92 -1.204 7.104 12.811 759 HB3 ASP 92 1HB ASP 92 -2.915 6.889 12.488 760 H LEU 93 H LEU 93 -2.006 3.008 14.568 761 HA LEU 93 HA LEU 93 -4.961 2.712 14.409 762 HB2 LEU 93 2HB LEU 93 -2.931 0.441 14.477 763 HB3 LEU 93 1HB LEU 93 -4.670 0.292 14.276 764 HG LEU 93 HG LEU 93 -2.773 1.559 12.252 765 HD11 LEU 93 1HD1 LEU 93 -2.421 -0.850 12.381 766 HD12 LEU 93 2HD1 LEU 93 -3.188 -0.413 10.856 767 HD13 LEU 93 3HD1 LEU 93 -4.147 -1.139 12.150 768 HD21 LEU 93 3HD2 LEU 93 -4.692 1.592 10.718 769 HD22 LEU 93 1HD2 LEU 93 -4.997 2.578 12.147 770 HD23 LEU 93 2HD2 LEU 93 -5.741 0.985 11.999 771 H GLY 94 H GLY 94 -4.782 4.035 16.394 772 HA2 GLY 94 2HA GLY 94 -3.999 2.652 18.844 773 HA3 GLY 94 1HA GLY 94 -4.700 4.262 18.715 774 H GLU 95 H GLU 95 -6.957 4.500 18.650 775 HA GLU 95 HA GLU 95 -8.453 2.527 20.074 776 HB2 GLU 95 2HB GLU 95 -9.363 5.096 18.721 777 HB3 GLU 95 1HB GLU 95 -10.333 4.150 19.845 778 HG2 GLU 95 2HG GLU 95 -7.740 5.590 20.483 779 HG3 GLU 95 1HG GLU 95 -9.359 6.100 20.949 780 H ARG 96 H ARG 96 -8.123 3.325 16.670 781 HA ARG 96 HA ARG 96 -10.486 2.005 15.734 782 HB2 ARG 96 2HB ARG 96 -7.937 2.692 14.212 783 HB3 ARG 96 1HB ARG 96 -9.453 2.181 13.478 784 HG2 ARG 96 2HG ARG 96 -8.965 4.754 15.012 785 HG3 ARG 96 1HG ARG 96 -9.205 4.586 13.274 786 HD2 ARG 96 2HD ARG 96 -11.270 4.043 15.436 787 HD3 ARG 96 1HD ARG 96 -11.235 5.420 14.331 788 HE ARG 96 HE ARG 96 -11.419 2.699 13.227 789 HH11 ARG 96 1HH1 ARG 96 -13.040 5.785 13.792 790 HH12 ARG 96 2HH1 ARG 96 -14.329 5.439 12.687 791 HH21 ARG 96 1HH2 ARG 96 -13.118 2.259 11.810 792 HH22 ARG 96 2HH2 ARG 96 -14.372 3.430 11.560 793 H ALA 97 H ALA 97 -7.395 0.842 16.732 794 HA ALA 97 HA ALA 97 -7.579 -1.767 15.482 795 HB1 ALA 97 3HB ALA 97 -5.824 -0.770 17.756 796 HB2 ALA 97 1HB ALA 97 -5.400 -0.769 16.045 797 HB3 ALA 97 2HB ALA 97 -5.626 -2.299 16.894 798 H SER 98 H SER 98 -8.591 -0.248 18.476 799 HA SER 98 HA SER 98 -9.042 -2.633 20.006 800 HB2 SER 98 2HB SER 98 -10.103 0.175 20.488 801 HB3 SER 98 1HB SER 98 -9.966 -1.120 21.683 802 HG SER 98 HG SER 98 -7.793 -0.913 21.677 803 H GLU 99 H GLU 99 -10.827 -1.269 17.489 804 HA GLU 99 HA GLU 99 -13.515 -1.671 18.249 805 HB2 GLU 99 2HB GLU 99 -12.261 -1.790 15.472 806 HB3 GLU 99 1HB GLU 99 -13.993 -1.694 15.785 807 HG2 GLU 99 2HG GLU 99 -13.679 0.510 16.861 808 HG3 GLU 99 1HG GLU 99 -11.948 0.432 16.533 809 H TRP 100 H TRP 100 -11.167 -3.867 16.723 810 HA TRP 100 HA TRP 100 -13.148 -6.055 16.748 811 HB2 TRP 100 2HB TRP 100 -11.700 -7.216 15.124 812 HB3 TRP 100 1HB TRP 100 -12.191 -5.631 14.551 813 HD1 TRP 100 HD1 TRP 100 -10.168 -3.644 14.863 814 HE1 TRP 100 HE1 TRP 100 -7.661 -3.902 14.363 815 HE3 TRP 100 HE3 TRP 100 -9.798 -8.742 15.109 816 HZ2 TRP 100 HZ2 TRP 100 -5.773 -5.972 14.101 817 HZ3 TRP 100 HZ3 TRP 100 -7.600 -9.784 14.720 818 HH2 TRP 100 HH2 TRP 100 -5.629 -8.425 14.227 819 H ILE 101 H ILE 101 -10.266 -5.050 18.419 820 HA ILE 101 HA ILE 101 -9.925 -7.639 19.728 821 HB ILE 101 HB ILE 101 -8.694 -4.894 20.278 822 HG12 ILE 101 2HG1 ILE 101 -6.518 -6.182 19.960 823 HG13 ILE 101 1HG1 ILE 101 -7.467 -7.594 19.517 824 HG21 ILE 101 1HG2 ILE 101 -7.414 -5.897 22.166 825 HG22 ILE 101 2HG2 ILE 101 -8.389 -7.363 22.037 826 HG23 ILE 101 3HG2 ILE 101 -9.147 -5.834 22.492 827 HD11 ILE 101 3HD1 ILE 101 -8.327 -6.373 17.570 828 HD12 ILE 101 1HD1 ILE 101 -6.566 -6.484 17.571 829 HD13 ILE 101 2HD1 ILE 101 -7.353 -4.976 18.032 830 H ILE 102 H ILE 102 -11.726 -8.272 20.753 831 HA ILE 102 HA ILE 102 -13.365 -6.387 22.324 832 HB ILE 102 HB ILE 102 -13.979 -9.256 21.442 833 HG12 ILE 102 2HG1 ILE 102 -13.841 -7.716 19.502 834 HG13 ILE 102 1HG1 ILE 102 -15.495 -8.259 19.757 835 HG21 ILE 102 1HG2 ILE 102 -16.315 -8.771 22.104 836 HG22 ILE 102 2HG2 ILE 102 -15.823 -7.193 22.721 837 HG23 ILE 102 3HG2 ILE 102 -15.216 -8.665 23.481 838 HD11 ILE 102 3HD1 ILE 102 -15.441 -5.923 19.157 839 HD12 ILE 102 1HD1 ILE 102 -14.359 -5.561 20.500 840 HD13 ILE 102 2HD1 ILE 102 -16.015 -6.087 20.816 841 H LEU 103 H LEU 103 -12.566 -6.207 24.343 842 HA LEU 103 HA LEU 103 -12.047 -8.658 25.945 843 HB2 LEU 103 2HB LEU 103 -10.753 -5.916 26.334 844 HB3 LEU 103 1HB LEU 103 -10.471 -7.341 27.319 845 HG LEU 103 HG LEU 103 -9.675 -7.022 24.402 846 HD11 LEU 103 1HD1 LEU 103 -7.925 -7.060 26.882 847 HD12 LEU 103 2HD1 LEU 103 -8.295 -5.647 25.888 848 HD13 LEU 103 3HD1 LEU 103 -7.364 -6.978 25.208 849 HD21 LEU 103 3HD2 LEU 103 -10.199 -9.359 24.873 850 HD22 LEU 103 1HD2 LEU 103 -9.125 -9.346 26.275 851 HD23 LEU 103 2HD2 LEU 103 -8.465 -9.149 24.648 852 H GLU 104 H GLU 104 -13.993 -8.897 26.914 853 HA GLU 104 HA GLU 104 -15.159 -6.613 28.407 854 HB2 GLU 104 2HB GLU 104 -17.425 -7.762 27.972 855 HB3 GLU 104 1HB GLU 104 -16.674 -6.925 26.623 856 HG2 GLU 104 2HG GLU 104 -15.930 -9.063 25.670 857 HG3 GLU 104 1HG GLU 104 -16.596 -9.930 27.051 Start of MODEL 18 1 H1 MET 1 1H MET 1 -12.367 0.487 1.124 2 H2 MET 1 2H MET 1 -11.681 -0.993 1.557 3 H3 MET 1 3H MET 1 -12.936 -0.947 0.432 4 HA MET 1 HA MET 1 -11.587 0.213 -1.134 5 HB2 MET 1 2HB MET 1 -10.212 1.485 0.479 6 HB3 MET 1 1HB MET 1 -9.436 0.007 1.029 7 HG2 MET 1 2HG MET 1 -8.266 -0.242 -1.052 8 HG3 MET 1 1HG MET 1 -9.220 1.031 -1.808 9 HE1 MET 1 3HE MET 1 -6.426 0.271 0.921 10 HE2 MET 1 1HE MET 1 -7.633 1.156 1.856 11 HE3 MET 1 2HE MET 1 -6.077 1.901 1.493 12 H THR 2 H THR 2 -11.630 -1.438 -2.569 13 HA THR 2 HA THR 2 -10.573 -4.090 -2.013 14 HB THR 2 HB THR 2 -11.171 -4.558 -4.406 15 HG1 THR 2 HG1 THR 2 -12.341 -2.841 -5.512 16 HG21 THR 2 3HG2 THR 2 -13.606 -4.334 -4.224 17 HG22 THR 2 1HG2 THR 2 -13.427 -3.190 -2.894 18 HG23 THR 2 2HG2 THR 2 -12.921 -4.870 -2.691 19 H GLY 3 H GLY 3 -9.121 -5.008 -3.951 20 HA2 GLY 3 2HA GLY 3 -6.639 -3.574 -4.065 21 HA3 GLY 3 1HA GLY 3 -7.042 -5.034 -4.962 22 H GLN 4 H GLN 4 -9.434 -3.732 -6.135 23 HA GLN 4 HA GLN 4 -8.459 -2.424 -8.433 24 HB2 GLN 4 2HB GLN 4 -10.682 -3.499 -8.342 25 HB3 GLN 4 1HB GLN 4 -11.219 -2.358 -7.118 26 HG2 GLN 4 2HG GLN 4 -12.198 -1.775 -9.250 27 HG3 GLN 4 1HG GLN 4 -11.055 -0.521 -8.778 28 HE21 GLN 4 1HE2 GLN 4 -10.821 0.211 -10.892 29 HE22 GLN 4 2HE2 GLN 4 -9.987 -0.687 -12.110 30 H GLU 5 H GLU 5 -9.995 -1.174 -5.473 31 HA GLU 5 HA GLU 5 -9.750 1.585 -6.136 32 HB2 GLU 5 2HB GLU 5 -10.244 0.288 -3.426 33 HB3 GLU 5 1HB GLU 5 -10.522 1.980 -3.822 34 HG2 GLU 5 2HG GLU 5 -12.009 -0.411 -4.935 35 HG3 GLU 5 1HG GLU 5 -12.624 0.773 -3.787 36 H LEU 6 H LEU 6 -7.704 -0.661 -4.365 37 HA LEU 6 HA LEU 6 -5.975 1.249 -3.136 38 HB2 LEU 6 2HB LEU 6 -6.169 -1.076 -2.298 39 HB3 LEU 6 1HB LEU 6 -5.509 -1.691 -3.805 40 HG LEU 6 HG LEU 6 -3.324 -0.598 -3.295 41 HD11 LEU 6 1HD1 LEU 6 -4.069 1.286 -1.944 42 HD12 LEU 6 2HD1 LEU 6 -2.860 0.341 -1.079 43 HD13 LEU 6 3HD1 LEU 6 -4.566 0.196 -0.645 44 HD21 LEU 6 3HD2 LEU 6 -4.313 -2.432 -1.087 45 HD22 LEU 6 1HD2 LEU 6 -2.623 -2.113 -1.489 46 HD23 LEU 6 2HD2 LEU 6 -3.663 -2.931 -2.652 47 H ARG 7 H ARG 7 -5.890 -0.632 -6.151 48 HA ARG 7 HA ARG 7 -3.357 0.257 -7.064 49 HB2 ARG 7 2HB ARG 7 -4.460 -1.784 -7.943 50 HB3 ARG 7 1HB ARG 7 -5.707 -0.796 -8.698 51 HG2 ARG 7 2HG ARG 7 -4.031 0.246 -10.152 52 HG3 ARG 7 1HG ARG 7 -2.748 -0.663 -9.358 53 HD2 ARG 7 2HD ARG 7 -3.734 -2.770 -10.174 54 HD3 ARG 7 1HD ARG 7 -5.024 -1.856 -10.971 55 HE ARG 7 HE ARG 7 -2.611 -0.844 -11.915 56 HH11 ARG 7 1HH1 ARG 7 -4.323 -3.907 -12.035 57 HH12 ARG 7 2HH1 ARG 7 -3.632 -4.374 -13.557 58 HH21 ARG 7 1HH2 ARG 7 -1.699 -1.469 -13.908 59 HH22 ARG 7 2HH2 ARG 7 -2.142 -2.989 -14.612 60 H GLN 8 H GLN 8 -6.683 1.387 -7.695 61 HA GLN 8 HA GLN 8 -6.089 3.448 -9.521 62 HB2 GLN 8 2HB GLN 8 -8.381 3.169 -7.528 63 HB3 GLN 8 1HB GLN 8 -8.305 4.447 -8.733 64 HG2 GLN 8 2HG GLN 8 -8.358 1.488 -9.407 65 HG3 GLN 8 1HG GLN 8 -9.784 2.514 -9.349 66 HE21 GLN 8 1HE2 GLN 8 -6.869 1.777 -11.090 67 HE22 GLN 8 2HE2 GLN 8 -7.258 2.648 -12.530 68 H LEU 9 H LEU 9 -5.976 3.331 -5.998 69 HA LEU 9 HA LEU 9 -5.589 6.102 -5.514 70 HB2 LEU 9 2HB LEU 9 -6.317 4.398 -3.823 71 HB3 LEU 9 1HB LEU 9 -4.692 3.736 -3.834 72 HG LEU 9 HG LEU 9 -3.814 5.888 -2.922 73 HD11 LEU 9 1HD1 LEU 9 -6.720 6.752 -2.775 74 HD12 LEU 9 2HD1 LEU 9 -5.477 7.441 -3.822 75 HD13 LEU 9 3HD1 LEU 9 -5.343 7.609 -2.074 76 HD21 LEU 9 3HD2 LEU 9 -4.401 4.069 -1.389 77 HD22 LEU 9 1HD2 LEU 9 -6.055 4.680 -1.269 78 HD23 LEU 9 2HD2 LEU 9 -4.705 5.640 -0.653 79 H LEU 10 H LEU 10 -3.402 3.516 -6.479 80 HA LEU 10 HA LEU 10 -0.971 5.091 -6.116 81 HB2 LEU 10 2HB LEU 10 -1.215 2.474 -7.648 82 HB3 LEU 10 1HB LEU 10 0.233 3.171 -6.953 83 HG LEU 10 HG LEU 10 -2.089 1.974 -5.389 84 HD11 LEU 10 1HD1 LEU 10 -0.536 0.164 -4.809 85 HD12 LEU 10 2HD1 LEU 10 0.706 0.883 -5.838 86 HD13 LEU 10 3HD1 LEU 10 -0.786 0.265 -6.552 87 HD21 LEU 10 3HD2 LEU 10 -0.678 2.217 -3.386 88 HD22 LEU 10 1HD2 LEU 10 -1.079 3.780 -4.101 89 HD23 LEU 10 2HD2 LEU 10 0.527 3.089 -4.337 90 H LEU 11 H LEU 11 -3.257 4.373 -8.688 91 HA LEU 11 HA LEU 11 -1.510 5.112 -10.886 92 HB2 LEU 11 2HB LEU 11 -4.459 4.358 -10.783 93 HB3 LEU 11 1HB LEU 11 -3.634 4.779 -12.276 94 HG LEU 11 HG LEU 11 -2.929 2.403 -10.499 95 HD11 LEU 11 1HD1 LEU 11 -4.331 2.454 -13.192 96 HD12 LEU 11 2HD1 LEU 11 -5.079 2.097 -11.631 97 HD13 LEU 11 3HD1 LEU 11 -3.858 1.010 -12.287 98 HD21 LEU 11 3HD2 LEU 11 -0.948 3.241 -11.662 99 HD22 LEU 11 1HD2 LEU 11 -1.799 3.179 -13.208 100 HD23 LEU 11 2HD2 LEU 11 -1.452 1.690 -12.326 101 H ASP 12 H ASP 12 -4.444 6.550 -9.394 102 HA ASP 12 HA ASP 12 -4.504 8.954 -10.863 103 HB2 ASP 12 2HB ASP 12 -5.445 8.285 -8.049 104 HB3 ASP 12 1HB ASP 12 -5.660 9.898 -8.710 105 H LYS 13 H LYS 13 -2.608 8.016 -8.052 106 HA LYS 13 HA LYS 13 -1.662 10.644 -7.397 107 HB2 LYS 13 2HB LYS 13 -1.882 8.719 -5.759 108 HB3 LYS 13 1HB LYS 13 -0.521 7.935 -6.557 109 HG2 LYS 13 2HG LYS 13 0.273 9.031 -4.556 110 HG3 LYS 13 1HG LYS 13 0.913 9.904 -5.955 111 HD2 LYS 13 2HD LYS 13 -1.001 11.540 -5.698 112 HD3 LYS 13 1HD LYS 13 -1.435 10.709 -4.200 113 HE2 LYS 13 2HE LYS 13 0.811 11.269 -3.281 114 HE3 LYS 13 1HE LYS 13 1.171 12.161 -4.767 115 HZ1 LYS 13 3HZ LYS 13 0.399 13.664 -3.080 116 HZ2 LYS 13 1HZ LYS 13 -1.006 12.763 -2.838 117 HZ3 LYS 13 2HZ LYS 13 -0.764 13.579 -4.298 118 H TRP 14 H TRP 14 0.086 7.744 -8.529 119 HA TRP 14 HA TRP 14 2.307 9.442 -9.479 120 HB2 TRP 14 2HB TRP 14 2.192 6.470 -8.786 121 HB3 TRP 14 1HB TRP 14 3.628 7.301 -9.384 122 HD1 TRP 14 HD1 TRP 14 4.425 9.480 -7.715 123 HE1 TRP 14 HE1 TRP 14 4.582 9.505 -5.163 124 HE3 TRP 14 HE3 TRP 14 1.346 5.529 -6.643 125 HZ2 TRP 14 HZ2 TRP 14 3.579 8.068 -2.972 126 HZ3 TRP 14 HZ3 TRP 14 1.012 4.919 -4.281 127 HH2 TRP 14 HH2 TRP 14 2.106 6.161 -2.481 128 H GLY 15 H GLY 15 0.083 6.889 -10.535 129 HA2 GLY 15 2HA GLY 15 -0.628 6.635 -12.807 130 HA3 GLY 15 1HA GLY 15 0.887 7.325 -13.363 131 H TYR 16 H TYR 16 1.415 5.159 -10.856 132 HA TYR 16 HA TYR 16 1.771 2.808 -12.599 133 HB2 TYR 16 2HB TYR 16 3.919 4.029 -10.798 134 HB3 TYR 16 1HB TYR 16 4.028 2.414 -11.491 135 HD1 TYR 16 HD1 TYR 16 4.378 2.106 -13.921 136 HD2 TYR 16 HD2 TYR 16 4.259 6.024 -12.212 137 HE1 TYR 16 HE1 TYR 16 5.341 3.031 -15.980 138 HE2 TYR 16 HE2 TYR 16 5.228 6.948 -14.276 139 HH TYR 16 HH TYR 16 5.454 5.164 -17.173 140 H SER 17 H SER 17 1.304 0.916 -11.625 141 HA SER 17 HA SER 17 0.228 0.930 -8.905 142 HB2 SER 17 2HB SER 17 -0.480 -1.438 -9.591 143 HB3 SER 17 1HB SER 17 -1.170 -0.130 -10.551 144 HG SER 17 HG SER 17 0.751 -2.034 -11.241 145 H TYR 18 H TYR 18 2.026 0.999 -7.569 146 HA TYR 18 HA TYR 18 4.343 -0.710 -7.958 147 HB2 TYR 18 2HB TYR 18 3.638 1.049 -5.568 148 HB3 TYR 18 1HB TYR 18 5.219 0.365 -5.934 149 HD1 TYR 18 HD1 TYR 18 6.589 1.308 -7.808 150 HD2 TYR 18 HD2 TYR 18 2.840 3.049 -6.702 151 HE1 TYR 18 HE1 TYR 18 7.164 3.347 -9.053 152 HE2 TYR 18 HE2 TYR 18 3.428 5.074 -7.944 153 HH TYR 18 HH TYR 18 6.002 5.232 -10.128 154 H ASP 19 H ASP 19 4.942 -2.509 -6.643 155 HA ASP 19 HA ASP 19 2.783 -3.939 -5.407 156 HB2 ASP 19 2HB ASP 19 4.448 -5.652 -4.788 157 HB3 ASP 19 1HB ASP 19 4.500 -5.259 -6.488 158 H VAL 20 H VAL 20 2.032 -3.706 -3.441 159 HA VAL 20 HA VAL 20 3.511 -2.027 -1.510 160 HB VAL 20 HB VAL 20 1.213 -1.641 -0.470 161 HG11 VAL 20 1HG1 VAL 20 2.221 0.051 -1.942 162 HG12 VAL 20 2HG1 VAL 20 0.474 -0.002 -2.175 163 HG13 VAL 20 3HG1 VAL 20 1.546 -0.750 -3.365 164 HG21 VAL 20 3HG2 VAL 20 0.216 -2.969 -3.019 165 HG22 VAL 20 1HG2 VAL 20 -0.793 -2.117 -1.843 166 HG23 VAL 20 2HG2 VAL 20 0.038 -3.602 -1.382 167 H GLN 21 H GLN 21 4.118 -2.816 0.356 168 HA GLN 21 HA GLN 21 3.441 -5.578 1.168 169 HB2 GLN 21 2HB GLN 21 6.183 -4.219 1.117 170 HB3 GLN 21 1HB GLN 21 5.866 -5.775 1.877 171 HG2 GLN 21 2HG GLN 21 5.266 -6.755 -0.292 172 HG3 GLN 21 1HG GLN 21 5.484 -5.189 -1.077 173 HE21 GLN 21 1HE2 GLN 21 7.063 -6.052 -2.490 174 HE22 GLN 21 2HE2 GLN 21 8.659 -6.437 -1.952 175 H PHE 22 H PHE 22 4.617 -5.819 3.549 176 HA PHE 22 HA PHE 22 3.530 -3.566 5.174 177 HB2 PHE 22 2HB PHE 22 3.235 -6.575 5.616 178 HB3 PHE 22 1HB PHE 22 2.909 -5.380 6.867 179 HD1 PHE 22 HD1 PHE 22 1.227 -3.450 6.246 180 HD2 PHE 22 HD2 PHE 22 1.432 -7.186 4.166 181 HE1 PHE 22 HE1 PHE 22 -1.055 -3.108 5.405 182 HE2 PHE 22 HE2 PHE 22 -0.861 -6.831 3.329 183 HZ PHE 22 HZ PHE 22 -2.099 -4.792 3.948 184 H ARG 23 H ARG 23 4.639 -2.894 6.882 185 HA ARG 23 HA ARG 23 7.122 -4.268 7.729 186 HB2 ARG 23 2HB ARG 23 7.825 -2.199 6.736 187 HB3 ARG 23 1HB ARG 23 6.502 -1.292 7.455 188 HG2 ARG 23 2HG ARG 23 7.531 -1.587 9.703 189 HG3 ARG 23 1HG ARG 23 8.867 -2.471 8.963 190 HD2 ARG 23 2HD ARG 23 8.180 0.381 8.208 191 HD3 ARG 23 1HD ARG 23 9.276 -0.019 9.530 192 HE ARG 23 HE ARG 23 10.132 -1.363 7.217 193 HH11 ARG 23 1HH1 ARG 23 10.008 1.944 8.469 194 HH12 ARG 23 2HH1 ARG 23 11.380 2.465 7.541 195 HH21 ARG 23 1HH2 ARG 23 11.900 -0.654 6.005 196 HH22 ARG 23 2HH2 ARG 23 12.456 0.983 6.142 197 H ARG 24 H ARG 24 7.167 -4.833 9.815 198 HA ARG 24 HA ARG 24 5.055 -3.880 11.680 199 HB2 ARG 24 2HB ARG 24 6.240 -6.683 11.396 200 HB3 ARG 24 1HB ARG 24 5.235 -6.186 12.753 201 HG2 ARG 24 2HG ARG 24 3.308 -5.889 11.316 202 HG3 ARG 24 1HG ARG 24 4.295 -6.111 9.871 203 HD2 ARG 24 2HD ARG 24 3.816 -8.264 11.966 204 HD3 ARG 24 1HD ARG 24 2.928 -8.113 10.444 205 HE ARG 24 HE ARG 24 5.533 -8.181 9.668 206 HH11 ARG 24 1HH1 ARG 24 3.545 -10.405 11.569 207 HH12 ARG 24 2HH1 ARG 24 4.452 -11.806 11.081 208 HH21 ARG 24 1HH2 ARG 24 6.733 -10.014 9.081 209 HH22 ARG 24 2HH2 ARG 24 6.257 -11.579 9.675 210 H THR 25 H THR 25 6.227 -2.383 12.786 211 HA THR 25 HA THR 25 8.480 -3.348 14.421 212 HB THR 25 HB THR 25 9.656 -2.305 12.583 213 HG1 THR 25 HG1 THR 25 10.397 -1.815 14.754 214 HG21 THR 25 3HG2 THR 25 9.357 0.029 11.913 215 HG22 THR 25 1HG2 THR 25 8.020 0.209 13.055 216 HG23 THR 25 2HG2 THR 25 7.867 -0.882 11.676 217 H GLN 26 H GLN 26 8.448 -2.649 16.438 218 HA GLN 26 HA GLN 26 7.821 -1.728 18.398 219 HB2 GLN 26 2HB GLN 26 7.050 0.702 16.711 220 HB3 GLN 26 1HB GLN 26 7.275 0.700 18.456 221 HG2 GLN 26 2HG GLN 26 9.480 0.047 16.475 222 HG3 GLN 26 1HG GLN 26 9.187 1.650 17.145 223 HE21 GLN 26 1HE2 GLN 26 11.274 1.674 18.011 224 HE22 GLN 26 2HE2 GLN 26 11.706 0.767 19.416 225 H GLY 27 H GLY 27 5.959 -3.357 16.930 226 HA2 GLY 27 2HA GLY 27 3.845 -4.198 17.213 227 HA3 GLY 27 1HA GLY 27 3.557 -2.978 18.442 228 H LYS 28 H LYS 28 4.566 -1.540 15.584 229 HA LYS 28 HA LYS 28 1.814 -0.776 14.845 230 HB2 LYS 28 2HB LYS 28 4.496 0.566 14.273 231 HB3 LYS 28 1HB LYS 28 2.915 1.202 13.812 232 HG2 LYS 28 2HG LYS 28 2.294 1.554 16.108 233 HG3 LYS 28 1HG LYS 28 3.718 0.678 16.687 234 HD2 LYS 28 2HD LYS 28 5.203 2.408 15.881 235 HD3 LYS 28 1HD LYS 28 3.877 3.257 15.071 236 HE2 LYS 28 2HE LYS 28 4.138 2.859 18.071 237 HE3 LYS 28 1HE LYS 28 4.498 4.345 17.192 238 HZ1 LYS 28 3HZ LYS 28 2.162 4.381 16.448 239 HZ2 LYS 28 1HZ LYS 28 2.311 4.487 18.131 240 HZ3 LYS 28 2HZ LYS 28 1.844 3.032 17.412 241 H ILE 29 H ILE 29 1.317 -0.570 12.588 242 HA ILE 29 HA ILE 29 2.881 -2.338 10.794 243 HB ILE 29 HB ILE 29 0.677 -3.292 11.426 244 HG12 ILE 29 2HG1 ILE 29 -0.221 -3.728 9.116 245 HG13 ILE 29 1HG1 ILE 29 0.838 -2.468 8.490 246 HG21 ILE 29 1HG2 ILE 29 -1.438 -2.282 10.715 247 HG22 ILE 29 2HG2 ILE 29 -0.569 -0.870 10.116 248 HG23 ILE 29 3HG2 ILE 29 -0.570 -1.232 11.842 249 HD11 ILE 29 3HD1 ILE 29 2.796 -3.767 9.161 250 HD12 ILE 29 1HD1 ILE 29 1.731 -4.709 8.120 251 HD13 ILE 29 2HD1 ILE 29 1.743 -5.006 9.854 252 H PHE 30 H PHE 30 3.263 -1.617 8.704 253 HA PHE 30 HA PHE 30 2.572 1.164 7.958 254 HB2 PHE 30 2HB PHE 30 5.394 -0.033 7.888 255 HB3 PHE 30 1HB PHE 30 4.950 1.535 7.236 256 HD1 PHE 30 HD2 PHE 30 5.318 -0.409 10.403 257 HD2 PHE 30 HD1 PHE 30 4.856 3.471 8.666 258 HE1 PHE 30 HE2 PHE 30 5.789 0.628 12.582 259 HE2 PHE 30 HE1 PHE 30 5.330 4.499 10.851 260 HZ PHE 30 HZ PHE 30 5.796 3.081 12.813 261 H LEU 31 H LEU 31 2.090 1.342 5.757 262 HA LEU 31 HA LEU 31 2.293 -1.106 4.126 263 HB2 LEU 31 2HB LEU 31 0.102 0.135 4.203 264 HB3 LEU 31 1HB LEU 31 0.879 1.514 3.432 265 HG LEU 31 HG LEU 31 1.406 0.033 1.438 266 HD11 LEU 31 1HD1 LEU 31 -0.356 -1.980 2.850 267 HD12 LEU 31 2HD1 LEU 31 1.376 -2.130 2.543 268 HD13 LEU 31 3HD1 LEU 31 0.244 -2.106 1.195 269 HD21 LEU 31 3HD2 LEU 31 -1.549 0.257 2.088 270 HD22 LEU 31 1HD2 LEU 31 -0.849 0.034 0.481 271 HD23 LEU 31 2HD2 LEU 31 -0.546 1.523 1.376 272 H GLN 32 H GLN 32 4.191 -1.318 3.140 273 HA GLN 32 HA GLN 32 5.830 0.933 2.308 274 HB2 GLN 32 2HB GLN 32 6.238 -2.072 2.491 275 HB3 GLN 32 1HB GLN 32 7.423 -1.044 1.691 276 HG2 GLN 32 2HG GLN 32 6.512 -0.422 4.501 277 HG3 GLN 32 1HG GLN 32 7.769 -1.625 4.194 278 HE21 GLN 32 1HE2 GLN 32 9.234 -0.336 5.340 279 HE22 GLN 32 2HE2 GLN 32 9.932 1.087 4.665 280 H VAL 33 H VAL 33 4.852 1.828 0.535 281 HA VAL 33 HA VAL 33 4.281 0.428 -1.907 282 HB VAL 33 HB VAL 33 4.880 3.399 -1.455 283 HG11 VAL 33 1HG1 VAL 33 3.703 3.808 -3.584 284 HG12 VAL 33 2HG1 VAL 33 3.511 2.070 -3.823 285 HG13 VAL 33 3HG1 VAL 33 5.124 2.786 -3.825 286 HG21 VAL 33 3HG2 VAL 33 2.189 1.989 -1.554 287 HG22 VAL 33 1HG2 VAL 33 2.435 3.731 -1.410 288 HG23 VAL 33 2HG2 VAL 33 2.958 2.655 -0.112 289 H MET 34 H MET 34 5.955 -0.707 -2.785 290 HA MET 34 HA MET 34 8.726 -0.000 -2.544 291 HB2 MET 34 2HB MET 34 7.363 -2.061 -4.325 292 HB3 MET 34 1HB MET 34 9.101 -1.940 -4.087 293 HG2 MET 34 2HG MET 34 7.251 -2.412 -1.754 294 HG3 MET 34 1HG MET 34 7.781 -3.739 -2.780 295 HE1 MET 34 3HE MET 34 10.236 -1.653 0.461 296 HE2 MET 34 1HE MET 34 8.480 -1.748 0.327 297 HE3 MET 34 2HE MET 34 9.388 -0.643 -0.708 298 H TRP 35 H TRP 35 10.147 0.121 -4.512 299 HA TRP 35 HA TRP 35 9.328 2.297 -6.233 300 HB2 TRP 35 2HB TRP 35 11.762 1.975 -7.120 301 HB3 TRP 35 1HB TRP 35 11.531 2.551 -5.477 302 HD1 TRP 35 HD1 TRP 35 12.749 -0.570 -7.405 303 HE1 TRP 35 HE1 TRP 35 14.068 -2.058 -5.774 304 HE3 TRP 35 HE3 TRP 35 11.764 1.902 -3.014 305 HZ2 TRP 35 HZ2 TRP 35 14.630 -2.177 -3.019 306 HZ3 TRP 35 HZ3 TRP 35 12.726 1.024 -0.925 307 HH2 TRP 35 HH2 TRP 35 14.130 -0.975 -0.932 308 H LYS 36 H LYS 36 9.360 -1.111 -6.477 309 HA LYS 36 HA LYS 36 9.406 -1.220 -9.392 310 HB2 LYS 36 2HB LYS 36 8.896 -3.357 -7.281 311 HB3 LYS 36 1HB LYS 36 9.004 -3.673 -9.012 312 HG2 LYS 36 2HG LYS 36 11.323 -3.189 -9.080 313 HG3 LYS 36 1HG LYS 36 11.297 -2.369 -7.521 314 HD2 LYS 36 2HD LYS 36 10.791 -5.354 -7.850 315 HD3 LYS 36 1HD LYS 36 12.380 -4.663 -7.524 316 HE2 LYS 36 2HE LYS 36 11.574 -5.336 -5.416 317 HE3 LYS 36 1HE LYS 36 11.320 -3.595 -5.434 318 HZ1 LYS 36 3HZ LYS 36 8.970 -3.991 -5.926 319 HZ2 LYS 36 1HZ LYS 36 9.425 -4.800 -4.514 320 HZ3 LYS 36 2HZ LYS 36 9.230 -5.659 -5.949 321 H TYR 37 H TYR 37 7.644 -1.768 -10.649 322 HA TYR 37 HA TYR 37 4.932 -1.704 -9.505 323 HB2 TYR 37 2HB TYR 37 4.304 -0.077 -11.424 324 HB3 TYR 37 1HB TYR 37 5.166 0.603 -10.049 325 HD1 TYR 37 HD2 TYR 37 5.626 -0.564 -13.572 326 HD2 TYR 37 HD1 TYR 37 7.284 1.684 -10.341 327 HE1 TYR 37 HE2 TYR 37 7.367 0.301 -15.065 328 HE2 TYR 37 HE1 TYR 37 9.025 2.549 -11.835 329 HH TYR 37 HH TYR 37 8.924 2.136 -15.226 330 H LEU 38 H LEU 38 3.299 -2.366 -11.113 331 HA LEU 38 HA LEU 38 3.909 -4.914 -12.058 332 HB2 LEU 38 2HB LEU 38 1.662 -4.201 -11.337 333 HB3 LEU 38 1HB LEU 38 1.543 -3.138 -12.730 334 HG LEU 38 HG LEU 38 1.620 -5.156 -14.230 335 HD11 LEU 38 1HD1 LEU 38 1.387 -6.768 -11.676 336 HD12 LEU 38 2HD1 LEU 38 2.790 -6.712 -12.747 337 HD13 LEU 38 3HD1 LEU 38 1.270 -7.382 -13.327 338 HD21 LEU 38 3HD2 LEU 38 -0.512 -4.108 -13.614 339 HD22 LEU 38 1HD2 LEU 38 -0.644 -5.182 -12.218 340 HD23 LEU 38 2HD2 LEU 38 -0.680 -5.845 -13.854 341 H GLU 39 H GLU 39 4.184 -1.871 -13.702 342 HA GLU 39 HA GLU 39 3.919 -2.923 -16.389 343 HB2 GLU 39 2HB GLU 39 4.856 -0.134 -15.587 344 HB3 GLU 39 1HB GLU 39 4.177 -0.638 -17.128 345 HG2 GLU 39 2HG GLU 39 2.736 -0.317 -14.486 346 HG3 GLU 39 1HG GLU 39 2.482 0.598 -15.970 347 H GLN 40 H GLN 40 6.165 -3.920 -14.635 348 HA GLN 40 HA GLN 40 8.455 -3.447 -16.434 349 HB2 GLN 40 2HB GLN 40 8.177 -4.892 -13.756 350 HB3 GLN 40 1HB GLN 40 9.640 -4.974 -14.730 351 HG2 GLN 40 2HG GLN 40 8.448 -2.420 -13.610 352 HG3 GLN 40 1HG GLN 40 9.792 -3.313 -12.898 353 HE21 GLN 40 1HE2 GLN 40 9.756 -0.561 -13.871 354 HE22 GLN 40 2HE2 GLN 40 10.949 -0.451 -15.112 355 H ALA 41 H ALA 41 9.512 -5.323 -17.410 356 HA ALA 41 HA ALA 41 7.641 -7.192 -18.582 357 HB1 ALA 41 3HB ALA 41 9.444 -6.193 -19.938 358 HB2 ALA 41 1HB ALA 41 9.567 -7.952 -19.928 359 HB3 ALA 41 2HB ALA 41 10.655 -6.983 -18.930 360 H SER 42 H SER 42 10.365 -7.391 -16.320 361 HA SER 42 HA SER 42 9.585 -10.153 -15.572 362 HB2 SER 42 2HB SER 42 12.267 -8.737 -15.254 363 HB3 SER 42 1HB SER 42 11.905 -10.342 -14.614 364 HG SER 42 HG SER 42 11.551 -11.046 -16.755 365 H PHE 43 H PHE 43 7.813 -9.051 -14.410 366 HA PHE 43 HA PHE 43 8.547 -7.759 -11.886 367 HB2 PHE 43 2HB PHE 43 6.644 -6.944 -13.390 368 HB3 PHE 43 1HB PHE 43 5.774 -8.419 -12.980 369 HD1 PHE 43 HD1 PHE 43 7.599 -5.651 -11.207 370 HD2 PHE 43 HD2 PHE 43 4.166 -8.193 -11.275 371 HE1 PHE 43 HE1 PHE 43 6.728 -4.535 -9.207 372 HE2 PHE 43 HE2 PHE 43 3.306 -7.071 -9.281 373 HZ PHE 43 HZ PHE 43 4.582 -5.245 -8.238 374 HA PRO 44 HA PRO 44 8.815 -11.607 -9.544 375 HB2 PRO 44 2HB PRO 44 7.515 -10.668 -7.174 376 HB3 PRO 44 1HB PRO 44 9.248 -10.590 -7.535 377 HG2 PRO 44 2HG PRO 44 7.145 -8.492 -7.955 378 HG3 PRO 44 1HG PRO 44 8.811 -8.315 -7.354 379 HD2 PRO 44 2HD PRO 44 8.292 -7.626 -9.841 380 HD3 PRO 44 1HD PRO 44 9.749 -8.598 -9.524 381 H MET 45 H MET 45 5.636 -10.003 -9.612 382 HA MET 45 HA MET 45 4.308 -12.668 -9.566 383 HB2 MET 45 2HB MET 45 3.124 -9.970 -8.745 384 HB3 MET 45 1HB MET 45 2.258 -11.500 -8.756 385 HG2 MET 45 2HG MET 45 2.791 -11.193 -6.507 386 HG3 MET 45 1HG MET 45 4.052 -12.290 -7.063 387 HE1 MET 45 3HE MET 45 3.585 -8.334 -7.405 388 HE2 MET 45 1HE MET 45 4.629 -7.810 -6.085 389 HE3 MET 45 2HE MET 45 3.166 -8.734 -5.738 390 H ASN 46 H ASN 46 2.644 -13.043 -11.124 391 HA ASN 46 HA ASN 46 2.710 -11.507 -13.572 392 HB2 ASN 46 2HB ASN 46 0.996 -13.827 -12.609 393 HB3 ASN 46 1HB ASN 46 0.678 -13.033 -14.146 394 HD21 ASN 46 1HD2 ASN 46 2.964 -15.007 -12.371 395 HD22 ASN 46 2HD2 ASN 46 3.847 -15.557 -13.752 396 H GLU 47 H GLU 47 0.595 -10.685 -14.547 397 HA GLU 47 HA GLU 47 -0.202 -8.434 -13.106 398 HB2 GLU 47 2HB GLU 47 -0.210 -8.433 -15.518 399 HB3 GLU 47 1HB GLU 47 -1.386 -9.742 -15.577 400 HG2 GLU 47 2HG GLU 47 -3.119 -8.251 -14.661 401 HG3 GLU 47 1HG GLU 47 -1.946 -6.942 -14.538 402 H THR 48 H THR 48 -2.115 -11.399 -13.753 403 HA THR 48 HA THR 48 -4.459 -10.551 -12.399 404 HB THR 48 HB THR 48 -3.689 -13.484 -12.754 405 HG1 THR 48 HG1 THR 48 -3.660 -13.172 -14.826 406 HG21 THR 48 3HG2 THR 48 -5.839 -12.993 -11.573 407 HG22 THR 48 1HG2 THR 48 -6.102 -13.799 -13.123 408 HG23 THR 48 2HG2 THR 48 -6.378 -12.062 -12.972 409 H GLU 49 H GLU 49 -1.619 -12.409 -11.389 410 HA GLU 49 HA GLU 49 -2.511 -13.257 -8.832 411 HB2 GLU 49 2HB GLU 49 0.375 -12.790 -9.721 412 HB3 GLU 49 1HB GLU 49 -0.154 -13.770 -8.355 413 HG2 GLU 49 2HG GLU 49 -1.338 -15.278 -9.998 414 HG3 GLU 49 1HG GLU 49 -0.582 -14.351 -11.295 415 H TYR 50 H TYR 50 -0.717 -10.470 -9.966 416 HA TYR 50 HA TYR 50 -0.048 -9.303 -7.484 417 HB2 TYR 50 2HB TYR 50 1.280 -8.671 -9.358 418 HB3 TYR 50 1HB TYR 50 -0.123 -8.308 -10.359 419 HD1 TYR 50 HD1 TYR 50 1.696 -7.117 -7.296 420 HD2 TYR 50 HD2 TYR 50 -0.847 -6.069 -10.558 421 HE1 TYR 50 HE1 TYR 50 1.833 -4.759 -6.659 422 HE2 TYR 50 HE2 TYR 50 -0.702 -3.710 -9.924 423 HH TYR 50 HH TYR 50 1.507 -2.544 -7.650 424 H GLN 51 H GLN 51 -2.747 -8.785 -9.755 425 HA GLN 51 HA GLN 51 -3.858 -6.497 -8.522 426 HB2 GLN 51 2HB GLN 51 -4.346 -7.255 -10.869 427 HB3 GLN 51 1HB GLN 51 -5.296 -8.588 -10.218 428 HG2 GLN 51 2HG GLN 51 -6.761 -6.775 -10.957 429 HG3 GLN 51 1HG GLN 51 -6.879 -6.975 -9.210 430 HE21 GLN 51 1HE2 GLN 51 -7.628 -4.848 -8.871 431 HE22 GLN 51 2HE2 GLN 51 -6.612 -3.467 -9.077 432 H GLU 52 H GLU 52 -4.559 -9.949 -8.183 433 HA GLU 52 HA GLU 52 -6.640 -9.636 -6.219 434 HB2 GLU 52 2HB GLU 52 -5.039 -12.092 -7.056 435 HB3 GLU 52 1HB GLU 52 -6.483 -12.122 -6.045 436 HG2 GLU 52 2HG GLU 52 -7.797 -11.145 -7.923 437 HG3 GLU 52 1HG GLU 52 -6.357 -11.181 -8.934 438 H HIS 53 H HIS 53 -3.155 -9.886 -6.127 439 HA HIS 53 HA HIS 53 -2.919 -10.403 -3.310 440 HB2 HIS 53 2HB HIS 53 -1.046 -10.919 -4.848 441 HB3 HIS 53 1HB HIS 53 -0.877 -9.212 -5.240 442 HD1 HIS 53 HD1 HIS 53 -0.570 -11.524 -2.222 443 HD2 HIS 53 HD2 HIS 53 0.864 -7.877 -3.599 444 HE1 HIS 53 HE1 HIS 53 1.137 -10.790 -0.527 445 HE2 HIS 53 HE2 HIS 53 2.043 -8.619 -1.435 446 H LEU 54 H LEU 54 -3.166 -7.488 -5.318 447 HA LEU 54 HA LEU 54 -2.690 -5.535 -3.312 448 HB2 LEU 54 2HB LEU 54 -4.443 -5.423 -5.801 449 HB3 LEU 54 1HB LEU 54 -4.151 -4.031 -4.771 450 HG LEU 54 HG LEU 54 -2.025 -5.504 -6.376 451 HD11 LEU 54 1HD1 LEU 54 -3.566 -4.258 -7.810 452 HD12 LEU 54 2HD1 LEU 54 -1.993 -3.468 -7.764 453 HD13 LEU 54 3HD1 LEU 54 -3.337 -2.801 -6.836 454 HD21 LEU 54 3HD2 LEU 54 -0.539 -3.654 -5.722 455 HD22 LEU 54 1HD2 LEU 54 -1.090 -4.563 -4.315 456 HD23 LEU 54 2HD2 LEU 54 -1.801 -2.990 -4.682 457 H ASP 55 H ASP 55 -5.521 -7.356 -4.310 458 HA ASP 55 HA ASP 55 -7.435 -6.003 -2.673 459 HB2 ASP 55 2HB ASP 55 -8.006 -7.283 -4.749 460 HB3 ASP 55 1HB ASP 55 -7.594 -8.785 -3.929 461 H SER 56 H SER 56 -5.315 -8.768 -2.237 462 HA SER 56 HA SER 56 -6.265 -9.642 0.293 463 HB2 SER 56 2HB SER 56 -4.835 -11.068 -1.100 464 HB3 SER 56 1HB SER 56 -3.513 -9.908 -0.994 465 HG SER 56 HG SER 56 -4.576 -10.881 1.403 466 H VAL 57 H VAL 57 -3.721 -7.353 -0.685 467 HA VAL 57 HA VAL 57 -2.792 -6.643 1.894 468 HB VAL 57 HB VAL 57 -2.675 -5.162 -0.778 469 HG11 VAL 57 1HG1 VAL 57 -0.954 -3.694 0.214 470 HG12 VAL 57 2HG1 VAL 57 -1.241 -4.413 1.795 471 HG13 VAL 57 3HG1 VAL 57 -2.517 -3.487 1.005 472 HG21 VAL 57 3HG2 VAL 57 -0.310 -5.880 -0.805 473 HG22 VAL 57 1HG2 VAL 57 -1.401 -7.264 -0.714 474 HG23 VAL 57 2HG2 VAL 57 -0.542 -6.724 0.730 475 H ALA 58 H ALA 58 -5.226 -5.207 -0.256 476 HA ALA 58 HA ALA 58 -5.925 -2.987 1.373 477 HB1 ALA 58 3HB ALA 58 -7.802 -2.713 -0.177 478 HB2 ALA 58 1HB ALA 58 -7.518 -4.332 -0.837 479 HB3 ALA 58 2HB ALA 58 -6.315 -3.061 -1.056 480 H ASN 59 H ASN 59 -7.018 -6.311 1.207 481 HA ASN 59 HA ASN 59 -9.250 -6.134 2.945 482 HB2 ASN 59 2HB ASN 59 -8.907 -8.103 1.523 483 HB3 ASN 59 1HB ASN 59 -7.401 -8.490 2.354 484 HD21 ASN 59 1HD2 ASN 59 -7.510 -9.459 4.407 485 HD22 ASN 59 2HD2 ASN 59 -8.974 -10.104 5.058 486 H TYR 60 H TYR 60 -5.767 -6.735 3.523 487 HA TYR 60 HA TYR 60 -5.916 -6.997 6.352 488 HB2 TYR 60 2HB TYR 60 -3.670 -6.287 4.439 489 HB3 TYR 60 1HB TYR 60 -3.409 -6.113 6.169 490 HD1 TYR 60 HD1 TYR 60 -3.988 -8.206 7.643 491 HD2 TYR 60 HD2 TYR 60 -3.190 -8.389 3.448 492 HE1 TYR 60 HE1 TYR 60 -3.399 -10.565 7.862 493 HE2 TYR 60 HE2 TYR 60 -2.597 -10.764 3.665 494 HH TYR 60 HH TYR 60 -3.203 -12.555 6.555 495 H LEU 61 H LEU 61 -5.528 -4.192 4.248 496 HA LEU 61 HA LEU 61 -5.036 -2.234 6.210 497 HB2 LEU 61 2HB LEU 61 -6.374 -1.948 3.488 498 HB3 LEU 61 1HB LEU 61 -5.776 -0.610 4.456 499 HG LEU 61 HG LEU 61 -4.044 -2.814 3.270 500 HD11 LEU 61 1HD1 LEU 61 -4.936 -1.359 1.525 501 HD12 LEU 61 2HD1 LEU 61 -3.200 -1.131 1.716 502 HD13 LEU 61 3HD1 LEU 61 -4.323 0.065 2.372 503 HD21 LEU 61 3HD2 LEU 61 -3.057 -1.992 5.328 504 HD22 LEU 61 1HD2 LEU 61 -3.224 -0.319 4.786 505 HD23 LEU 61 2HD2 LEU 61 -2.124 -1.419 3.949 506 H HIS 62 H HIS 62 -8.065 -3.519 4.875 507 HA HIS 62 HA HIS 62 -9.805 -1.872 6.482 508 HB2 HIS 62 2HB HIS 62 -10.529 -2.884 4.318 509 HB3 HIS 62 1HB HIS 62 -10.400 -4.492 5.026 510 HD1 HIS 62 HD1 HIS 62 -12.504 -5.374 6.079 511 HD2 HIS 62 HD2 HIS 62 -12.610 -1.240 5.658 512 HE1 HIS 62 HE1 HIS 62 -14.809 -4.685 6.788 513 HE2 HIS 62 HE2 HIS 62 -14.910 -2.222 6.304 514 H ALA 63 H ALA 63 -8.327 -5.063 6.825 515 HA ALA 63 HA ALA 63 -9.962 -6.049 8.942 516 HB1 ALA 63 3HB ALA 63 -8.324 -7.863 9.122 517 HB2 ALA 63 1HB ALA 63 -7.178 -6.963 8.117 518 HB3 ALA 63 2HB ALA 63 -8.699 -7.534 7.433 519 H LEU 64 H LEU 64 -7.075 -4.101 8.869 520 HA LEU 64 HA LEU 64 -6.673 -4.274 11.788 521 HB2 LEU 64 2HB LEU 64 -4.975 -2.951 9.616 522 HB3 LEU 64 1HB LEU 64 -4.536 -3.084 11.312 523 HG LEU 64 HG LEU 64 -4.891 -5.452 9.428 524 HD11 LEU 64 1HD1 LEU 64 -2.304 -4.223 10.437 525 HD12 LEU 64 2HD1 LEU 64 -2.927 -4.148 8.786 526 HD13 LEU 64 3HD1 LEU 64 -2.453 -5.699 9.474 527 HD21 LEU 64 3HD2 LEU 64 -5.389 -6.068 11.730 528 HD22 LEU 64 1HD2 LEU 64 -3.854 -5.388 12.276 529 HD23 LEU 64 2HD2 LEU 64 -3.873 -6.800 11.213 530 H GLY 65 H GLY 65 -7.905 -2.193 9.289 531 HA2 GLY 65 2HA GLY 65 -9.262 -0.293 9.633 532 HA3 GLY 65 1HA GLY 65 -8.517 -0.028 11.201 533 H GLY 66 H GLY 66 -6.131 -0.713 8.936 534 HA2 GLY 66 2HA GLY 66 -5.126 2.007 8.998 535 HA3 GLY 66 1HA GLY 66 -4.309 0.592 8.359 536 H ALA 67 H ALA 67 -7.385 0.752 6.993 537 HA ALA 67 HA ALA 67 -6.403 1.290 4.392 538 HB1 ALA 67 3HB ALA 67 -8.733 1.100 3.674 539 HB2 ALA 67 1HB ALA 67 -9.275 1.223 5.354 540 HB3 ALA 67 2HB ALA 67 -8.328 -0.169 4.829 541 H VAL 68 H VAL 68 -8.494 3.220 6.548 542 HA VAL 68 HA VAL 68 -8.677 5.565 4.978 543 HB VAL 68 HB VAL 68 -8.764 5.310 8.035 544 HG11 VAL 68 1HG1 VAL 68 -10.040 7.425 8.041 545 HG12 VAL 68 2HG1 VAL 68 -9.826 7.572 6.296 546 HG13 VAL 68 3HG1 VAL 68 -8.424 7.659 7.362 547 HG21 VAL 68 3HG2 VAL 68 -11.219 5.217 7.791 548 HG22 VAL 68 1HG2 VAL 68 -10.438 3.876 6.951 549 HG23 VAL 68 2HG2 VAL 68 -11.053 5.252 6.032 550 H GLN 69 H GLN 69 -6.217 4.426 7.249 551 HA GLN 69 HA GLN 69 -4.692 6.805 7.508 552 HB2 GLN 69 2HB GLN 69 -3.805 3.902 7.767 553 HB3 GLN 69 1HB GLN 69 -2.875 5.291 8.313 554 HG2 GLN 69 2HG GLN 69 -5.594 4.480 9.393 555 HG3 GLN 69 1HG GLN 69 -4.047 4.116 10.153 556 HE21 GLN 69 1HE2 GLN 69 -6.336 5.654 11.182 557 HE22 GLN 69 2HE2 GLN 69 -5.700 7.202 11.609 558 H VAL 70 H VAL 70 -4.573 4.138 5.158 559 HA VAL 70 HA VAL 70 -2.256 4.957 3.724 560 HB VAL 70 HB VAL 70 -4.632 3.269 2.798 561 HG11 VAL 70 1HG1 VAL 70 -3.155 2.438 0.983 562 HG12 VAL 70 2HG1 VAL 70 -1.922 3.612 1.453 563 HG13 VAL 70 3HG1 VAL 70 -3.476 4.169 0.831 564 HG21 VAL 70 3HG2 VAL 70 -3.163 1.341 3.223 565 HG22 VAL 70 1HG2 VAL 70 -3.411 2.291 4.689 566 HG23 VAL 70 2HG2 VAL 70 -1.893 2.424 3.800 567 H LYS 71 H LYS 71 -5.717 5.399 3.137 568 HA LYS 71 HA LYS 71 -5.569 6.776 0.705 569 HB2 LYS 71 2HB LYS 71 -7.730 6.756 2.849 570 HB3 LYS 71 1HB LYS 71 -7.951 7.469 1.259 571 HG2 LYS 71 2HG LYS 71 -7.470 5.202 0.247 572 HG3 LYS 71 1HG LYS 71 -7.428 4.545 1.886 573 HD2 LYS 71 2HD LYS 71 -9.626 4.130 0.885 574 HD3 LYS 71 1HD LYS 71 -9.791 5.270 2.224 575 HE2 LYS 71 2HE LYS 71 -9.869 7.147 0.604 576 HE3 LYS 71 1HE LYS 71 -9.707 6.002 -0.729 577 HZ1 LYS 71 3HZ LYS 71 -11.816 5.016 -0.084 578 HZ2 LYS 71 1HZ LYS 71 -11.995 6.665 -0.403 579 HZ3 LYS 71 2HZ LYS 71 -11.973 6.112 1.193 580 H THR 72 H THR 72 -5.866 8.030 4.022 581 HA THR 72 HA THR 72 -5.976 10.781 3.420 582 HB THR 72 HB THR 72 -5.051 9.391 5.980 583 HG1 THR 72 HG1 THR 72 -7.107 9.002 6.202 584 HG21 THR 72 3HG2 THR 72 -5.601 11.484 7.144 585 HG22 THR 72 1HG2 THR 72 -6.023 12.255 5.614 586 HG23 THR 72 2HG2 THR 72 -4.352 11.787 5.938 587 H PHE 73 H PHE 73 -3.240 8.640 4.269 588 HA PHE 73 HA PHE 73 -1.256 10.644 4.403 589 HB2 PHE 73 2HB PHE 73 -0.938 8.364 5.354 590 HB3 PHE 73 1HB PHE 73 -0.867 7.698 3.728 591 HD1 PHE 73 HD2 PHE 73 0.831 10.262 5.907 592 HD2 PHE 73 HD1 PHE 73 1.251 7.462 2.701 593 HE1 PHE 73 HE2 PHE 73 3.257 10.670 5.856 594 HE2 PHE 73 HE1 PHE 73 3.671 7.877 2.656 595 HZ PHE 73 HZ PHE 73 4.678 9.474 4.230 596 H ILE 74 H ILE 74 -2.174 8.449 1.714 597 HA ILE 74 HA ILE 74 -0.274 9.397 -0.152 598 HB ILE 74 HB ILE 74 -2.867 7.841 -0.542 599 HG12 ILE 74 2HG1 ILE 74 0.089 7.062 -0.605 600 HG13 ILE 74 1HG1 ILE 74 -1.100 6.587 0.600 601 HG21 ILE 74 1HG2 ILE 74 -2.196 7.378 -2.875 602 HG22 ILE 74 2HG2 ILE 74 -0.830 8.482 -2.704 603 HG23 ILE 74 3HG2 ILE 74 -2.476 9.106 -2.623 604 HD11 ILE 74 3HD1 ILE 74 -0.596 4.746 -0.855 605 HD12 ILE 74 1HD1 ILE 74 -1.017 5.694 -2.282 606 HD13 ILE 74 2HD1 ILE 74 -2.263 5.253 -1.111 607 H THR 75 H THR 75 -3.519 10.550 0.658 608 HA THR 75 HA THR 75 -3.824 12.419 -1.472 609 HB THR 75 HB THR 75 -5.059 12.413 1.321 610 HG1 THR 75 HG1 THR 75 -5.390 10.681 -0.478 611 HG21 THR 75 3HG2 THR 75 -5.292 14.666 0.317 612 HG22 THR 75 1HG2 THR 75 -6.850 13.838 0.362 613 HG23 THR 75 2HG2 THR 75 -5.954 13.953 -1.154 614 H GLN 76 H GLN 76 -2.229 12.616 1.689 615 HA GLN 76 HA GLN 76 -1.780 15.490 1.518 616 HB2 GLN 76 2HB GLN 76 -0.930 13.442 3.607 617 HB3 GLN 76 1HB GLN 76 -0.588 15.167 3.720 618 HG2 GLN 76 2HG GLN 76 -3.075 15.596 3.651 619 HG3 GLN 76 1HG GLN 76 -3.318 13.850 3.710 620 HE21 GLN 76 1HE2 GLN 76 -4.466 14.043 5.661 621 HE22 GLN 76 2HE2 GLN 76 -3.677 14.370 7.163 622 H THR 77 H THR 77 0.420 12.662 1.810 623 HA THR 77 HA THR 77 2.832 13.944 1.321 624 HB THR 77 HB THR 77 2.617 11.579 2.204 625 HG1 THR 77 HG1 THR 77 4.660 11.680 1.704 626 HG21 THR 77 3HG2 THR 77 1.025 10.659 0.532 627 HG22 THR 77 1HG2 THR 77 2.500 9.695 0.625 628 HG23 THR 77 2HG2 THR 77 2.255 10.807 -0.723 629 H LYS 78 H LYS 78 4.168 14.080 -0.512 630 HA LYS 78 HA LYS 78 2.974 13.596 -3.184 631 HB2 LYS 78 2HB LYS 78 4.659 16.047 -2.433 632 HB3 LYS 78 1HB LYS 78 3.974 15.687 -4.016 633 HG2 LYS 78 2HG LYS 78 1.676 15.831 -2.976 634 HG3 LYS 78 1HG LYS 78 2.447 16.396 -1.493 635 HD2 LYS 78 2HD LYS 78 3.251 18.410 -2.597 636 HD3 LYS 78 1HD LYS 78 2.743 17.802 -4.177 637 HE2 LYS 78 2HE LYS 78 0.373 17.875 -3.427 638 HE3 LYS 78 1HE LYS 78 0.895 18.533 -1.876 639 HZ1 LYS 78 3HZ LYS 78 0.105 20.234 -3.430 640 HZ2 LYS 78 1HZ LYS 78 1.349 19.847 -4.504 641 HZ3 LYS 78 2HZ LYS 78 1.712 20.489 -2.982 642 H GLU 79 H GLU 79 4.887 12.188 -1.308 643 HA GLU 79 HA GLU 79 7.510 12.315 -2.514 644 HB2 GLU 79 2HB GLU 79 6.370 10.273 -0.551 645 HB3 GLU 79 1HB GLU 79 8.071 10.475 -0.959 646 HG2 GLU 79 2HG GLU 79 6.314 12.450 0.518 647 HG3 GLU 79 1HG GLU 79 7.605 11.467 1.196 648 H ARG 80 H ARG 80 8.488 10.777 -3.776 649 HA ARG 80 HA ARG 80 6.711 8.910 -5.247 650 HB2 ARG 80 2HB ARG 80 9.023 10.648 -6.213 651 HB3 ARG 80 1HB ARG 80 8.440 9.277 -7.157 652 HG2 ARG 80 2HG ARG 80 6.294 10.257 -7.467 653 HG3 ARG 80 1HG ARG 80 6.598 11.501 -6.263 654 HD2 ARG 80 2HD ARG 80 8.309 12.514 -7.734 655 HD3 ARG 80 1HD ARG 80 8.039 11.239 -8.926 656 HE ARG 80 HE ARG 80 6.015 12.200 -9.520 657 HH11 ARG 80 1HH1 ARG 80 7.435 14.026 -6.870 658 HH12 ARG 80 2HH1 ARG 80 6.383 15.390 -7.089 659 HH21 ARG 80 1HH2 ARG 80 4.649 13.992 -9.806 660 HH22 ARG 80 2HH2 ARG 80 4.801 15.364 -8.757 661 HA PRO 81 HA PRO 81 9.457 5.575 -3.863 662 HB2 PRO 81 2HB PRO 81 8.397 4.143 -6.292 663 HB3 PRO 81 1HB PRO 81 8.354 3.657 -4.582 664 HG2 PRO 81 2HG PRO 81 6.138 4.482 -5.802 665 HG3 PRO 81 1HG PRO 81 6.463 4.947 -4.114 666 HD2 PRO 81 2HD PRO 81 6.832 6.594 -6.628 667 HD3 PRO 81 1HD PRO 81 6.143 7.059 -5.055 668 H ARG 82 H ARG 82 11.566 5.469 -4.213 669 HA ARG 82 HA ARG 82 12.784 5.495 -6.926 670 HB2 ARG 82 2HB ARG 82 13.131 7.676 -5.776 671 HB3 ARG 82 1HB ARG 82 13.777 6.849 -4.364 672 HG2 ARG 82 2HG ARG 82 15.674 6.021 -5.821 673 HG3 ARG 82 1HG ARG 82 15.056 7.059 -7.110 674 HD2 ARG 82 2HD ARG 82 15.340 9.033 -5.594 675 HD3 ARG 82 1HD ARG 82 16.043 7.959 -4.378 676 HE ARG 82 HE ARG 82 17.400 7.784 -6.898 677 HH11 ARG 82 1HH1 ARG 82 17.178 9.750 -3.973 678 HH12 ARG 82 2HH1 ARG 82 18.787 10.386 -4.136 679 HH21 ARG 82 1HH2 ARG 82 19.501 8.658 -7.110 680 HH22 ARG 82 2HH2 ARG 82 20.098 9.768 -5.911 681 H LEU 83 H LEU 83 14.855 4.218 -7.024 682 HA LEU 83 HA LEU 83 14.861 1.809 -5.554 683 HB2 LEU 83 2HB LEU 83 15.991 2.056 -7.754 684 HB3 LEU 83 1HB LEU 83 17.184 3.118 -7.028 685 HG LEU 83 HG LEU 83 17.964 1.193 -5.588 686 HD11 LEU 83 1HD1 LEU 83 15.934 -0.163 -5.581 687 HD12 LEU 83 2HD1 LEU 83 17.317 -1.097 -6.145 688 HD13 LEU 83 3HD1 LEU 83 16.128 -0.497 -7.304 689 HD21 LEU 83 3HD2 LEU 83 19.177 1.763 -7.638 690 HD22 LEU 83 1HD2 LEU 83 18.121 0.706 -8.579 691 HD23 LEU 83 2HD2 LEU 83 19.203 0.023 -7.362 692 H GLY 84 H GLY 84 15.032 1.801 -3.377 693 HA2 GLY 84 2HA GLY 84 16.568 1.770 -1.484 694 HA3 GLY 84 1HA GLY 84 17.230 3.303 -2.030 695 H LYS 85 H LYS 85 14.593 4.435 -2.679 696 HA LYS 85 HA LYS 85 13.629 5.026 0.056 697 HB2 LYS 85 2HB LYS 85 13.739 6.659 -2.492 698 HB3 LYS 85 1HB LYS 85 12.442 6.991 -1.354 699 HG2 LYS 85 2HG LYS 85 14.202 8.543 -0.947 700 HG3 LYS 85 1HG LYS 85 14.143 7.438 0.419 701 HD2 LYS 85 2HD LYS 85 16.098 6.208 -0.508 702 HD3 LYS 85 1HD LYS 85 16.148 7.327 -1.876 703 HE2 LYS 85 2HE LYS 85 17.834 7.966 -0.218 704 HE3 LYS 85 1HE LYS 85 16.582 9.208 -0.285 705 HZ1 LYS 85 3HZ LYS 85 16.731 7.052 1.763 706 HZ2 LYS 85 1HZ LYS 85 15.621 8.326 1.735 707 HZ3 LYS 85 2HZ LYS 85 17.263 8.637 1.988 708 H ALA 86 H ALA 86 11.918 3.849 0.576 709 HA ALA 86 HA ALA 86 9.751 3.316 -1.388 710 HB1 ALA 86 3HB ALA 86 10.722 1.281 -0.392 711 HB2 ALA 86 1HB ALA 86 9.053 1.497 0.133 712 HB3 ALA 86 2HB ALA 86 10.384 1.888 1.231 713 H VAL 87 H VAL 87 7.647 3.973 -0.874 714 HA VAL 87 HA VAL 87 7.380 6.071 1.117 715 HB VAL 87 HB VAL 87 5.203 4.902 -0.689 716 HG11 VAL 87 1HG1 VAL 87 5.290 7.571 0.766 717 HG12 VAL 87 2HG1 VAL 87 4.298 6.181 1.213 718 HG13 VAL 87 3HG1 VAL 87 4.002 7.019 -0.310 719 HG21 VAL 87 3HG2 VAL 87 7.054 5.752 -2.072 720 HG22 VAL 87 1HG2 VAL 87 6.988 7.306 -1.236 721 HG23 VAL 87 2HG2 VAL 87 5.631 6.782 -2.236 722 H SER 88 H SER 88 7.716 4.921 3.042 723 HA SER 88 HA SER 88 6.053 2.753 3.920 724 HB2 SER 88 2HB SER 88 8.385 3.101 4.789 725 HB3 SER 88 1HB SER 88 7.868 4.599 5.559 726 HG SER 88 HG SER 88 7.068 3.465 7.138 727 H ILE 89 H ILE 89 3.973 3.247 4.022 728 HA ILE 89 HA ILE 89 2.909 5.801 4.862 729 HB ILE 89 HB ILE 89 1.527 3.185 4.113 730 HG12 ILE 89 2HG1 ILE 89 1.989 5.703 2.445 731 HG13 ILE 89 1HG1 ILE 89 2.864 4.187 2.264 732 HG21 ILE 89 1HG2 ILE 89 0.065 4.573 5.527 733 HG22 ILE 89 2HG2 ILE 89 -0.534 4.511 3.872 734 HG23 ILE 89 3HG2 ILE 89 0.305 5.950 4.447 735 HD11 ILE 89 3HD1 ILE 89 1.184 4.451 0.565 736 HD12 ILE 89 1HD1 ILE 89 -0.081 4.587 1.787 737 HD13 ILE 89 2HD1 ILE 89 0.811 3.072 1.597 738 HA PRO 90 HA PRO 90 2.918 4.100 9.095 739 HB2 PRO 90 2HB PRO 90 2.445 6.448 10.429 740 HB3 PRO 90 1HB PRO 90 4.037 6.027 9.767 741 HG2 PRO 90 2HG PRO 90 1.968 7.881 8.661 742 HG3 PRO 90 1HG PRO 90 3.738 8.045 8.683 743 HD2 PRO 90 2HD PRO 90 2.297 7.207 6.480 744 HD3 PRO 90 1HD PRO 90 4.004 6.805 6.767 745 H LEU 91 H LEU 91 1.179 2.866 9.466 746 HA LEU 91 HA LEU 91 -1.539 3.922 9.235 747 HB2 LEU 91 2HB LEU 91 -0.716 1.106 10.040 748 HB3 LEU 91 1HB LEU 91 -2.296 1.639 9.486 749 HG LEU 91 HG LEU 91 0.236 1.333 7.822 750 HD11 LEU 91 1HD1 LEU 91 -0.923 -0.755 8.243 751 HD12 LEU 91 2HD1 LEU 91 -1.088 -0.304 6.548 752 HD13 LEU 91 3HD1 LEU 91 -2.442 -0.071 7.660 753 HD21 LEU 91 3HD2 LEU 91 -1.075 2.076 5.870 754 HD22 LEU 91 1HD2 LEU 91 -0.848 3.356 7.062 755 HD23 LEU 91 2HD2 LEU 91 -2.403 2.530 6.941 756 H ASP 92 H ASP 92 -1.821 5.281 10.880 757 HA ASP 92 HA ASP 92 -0.730 4.863 13.514 758 HB2 ASP 92 2HB ASP 92 -0.860 7.118 12.406 759 HB3 ASP 92 1HB ASP 92 -2.611 7.056 12.543 760 H LEU 93 H LEU 93 -1.704 2.994 14.228 761 HA LEU 93 HA LEU 93 -4.653 2.935 14.545 762 HB2 LEU 93 2HB LEU 93 -2.707 0.641 14.104 763 HB3 LEU 93 1HB LEU 93 -4.424 0.440 14.413 764 HG LEU 93 HG LEU 93 -3.205 1.785 11.968 765 HD11 LEU 93 1HD1 LEU 93 -4.662 -0.868 12.184 766 HD12 LEU 93 2HD1 LEU 93 -2.929 -0.650 11.935 767 HD13 LEU 93 3HD1 LEU 93 -4.066 -0.118 10.702 768 HD21 LEU 93 3HD2 LEU 93 -5.501 1.923 11.100 769 HD22 LEU 93 1HD2 LEU 93 -5.306 2.871 12.573 770 HD23 LEU 93 2HD2 LEU 93 -6.128 1.310 12.632 771 H GLY 94 H GLY 94 -4.128 4.157 16.543 772 HA2 GLY 94 2HA GLY 94 -3.324 2.546 18.846 773 HA3 GLY 94 1HA GLY 94 -3.937 4.197 18.868 774 H GLU 95 H GLU 95 -6.179 4.578 18.906 775 HA GLU 95 HA GLU 95 -7.759 2.627 20.257 776 HB2 GLU 95 2HB GLU 95 -7.980 5.126 20.544 777 HB3 GLU 95 1HB GLU 95 -8.707 5.215 18.942 778 HG2 GLU 95 2HG GLU 95 -10.518 3.647 19.778 779 HG3 GLU 95 1HG GLU 95 -9.838 3.819 21.396 780 H ARG 96 H ARG 96 -7.457 3.579 16.873 781 HA ARG 96 HA ARG 96 -9.989 2.572 16.009 782 HB2 ARG 96 2HB ARG 96 -7.573 3.131 14.252 783 HB3 ARG 96 1HB ARG 96 -9.246 2.991 13.732 784 HG2 ARG 96 2HG ARG 96 -7.904 5.254 15.200 785 HG3 ARG 96 1HG ARG 96 -8.837 5.298 13.711 786 HD2 ARG 96 2HD ARG 96 -9.919 4.942 16.525 787 HD3 ARG 96 1HD ARG 96 -10.079 6.368 15.500 788 HE ARG 96 HE ARG 96 -11.268 4.468 14.001 789 HH11 ARG 96 1HH1 ARG 96 -11.772 5.454 17.364 790 HH12 ARG 96 2HH1 ARG 96 -13.441 4.975 17.366 791 HH21 ARG 96 1HH2 ARG 96 -13.444 3.762 14.085 792 HH22 ARG 96 2HH2 ARG 96 -14.381 4.024 15.528 793 H ALA 97 H ALA 97 -6.818 1.110 16.372 794 HA ALA 97 HA ALA 97 -7.533 -1.424 15.154 795 HB1 ALA 97 3HB ALA 97 -5.302 -0.725 17.099 796 HB2 ALA 97 1HB ALA 97 -5.185 -0.751 15.342 797 HB3 ALA 97 2HB ALA 97 -5.461 -2.255 16.224 798 H SER 98 H SER 98 -7.711 0.039 18.341 799 HA SER 98 HA SER 98 -8.265 -2.360 19.820 800 HB2 SER 98 2HB SER 98 -7.112 -0.353 20.781 801 HB3 SER 98 1HB SER 98 -8.615 0.552 20.649 802 HG SER 98 HG SER 98 -8.560 -1.886 22.075 803 H GLU 99 H GLU 99 -10.233 -0.447 17.797 804 HA GLU 99 HA GLU 99 -12.736 -0.505 19.093 805 HB2 GLU 99 2HB GLU 99 -12.131 -0.612 16.113 806 HB3 GLU 99 1HB GLU 99 -13.716 -0.273 16.801 807 HG2 GLU 99 2HG GLU 99 -11.235 1.420 17.159 808 HG3 GLU 99 1HG GLU 99 -12.561 1.763 16.057 809 H TRP 100 H TRP 100 -11.178 -2.871 16.967 810 HA TRP 100 HA TRP 100 -13.446 -4.716 17.245 811 HB2 TRP 100 2HB TRP 100 -12.362 -6.030 15.418 812 HB3 TRP 100 1HB TRP 100 -12.771 -4.387 14.956 813 HD1 TRP 100 HD1 TRP 100 -10.537 -2.613 14.909 814 HE1 TRP 100 HE1 TRP 100 -8.159 -3.107 14.066 815 HE3 TRP 100 HE3 TRP 100 -10.618 -7.734 15.124 816 HZ2 TRP 100 HZ2 TRP 100 -6.541 -5.339 13.542 817 HZ3 TRP 100 HZ3 TRP 100 -8.611 -8.973 14.411 818 HH2 TRP 100 HH2 TRP 100 -6.613 -7.798 13.635 819 H ILE 101 H ILE 101 -10.564 -4.146 18.871 820 HA ILE 101 HA ILE 101 -10.506 -6.910 19.934 821 HB ILE 101 HB ILE 101 -8.550 -4.584 20.324 822 HG12 ILE 101 2HG1 ILE 101 -6.863 -6.402 19.596 823 HG13 ILE 101 1HG1 ILE 101 -8.247 -7.390 19.152 824 HG21 ILE 101 1HG2 ILE 101 -8.870 -5.605 22.537 825 HG22 ILE 101 2HG2 ILE 101 -7.271 -5.989 21.908 826 HG23 ILE 101 3HG2 ILE 101 -8.546 -7.209 21.871 827 HD11 ILE 101 3HD1 ILE 101 -8.907 -5.683 17.514 828 HD12 ILE 101 1HD1 ILE 101 -7.278 -6.299 17.224 829 HD13 ILE 101 2HD1 ILE 101 -7.503 -4.718 17.974 830 H ILE 102 H ILE 102 -11.995 -7.228 21.479 831 HA ILE 102 HA ILE 102 -12.792 -5.034 23.300 832 HB ILE 102 HB ILE 102 -14.307 -7.628 22.686 833 HG12 ILE 102 2HG1 ILE 102 -14.210 -6.153 20.679 834 HG13 ILE 102 1HG1 ILE 102 -15.846 -6.273 21.309 835 HG21 ILE 102 1HG2 ILE 102 -14.846 -6.753 24.907 836 HG22 ILE 102 2HG2 ILE 102 -16.217 -6.524 23.825 837 HG23 ILE 102 3HG2 ILE 102 -15.185 -5.153 24.234 838 HD11 ILE 102 3HD1 ILE 102 -15.344 -4.024 20.580 839 HD12 ILE 102 1HD1 ILE 102 -13.963 -3.942 21.674 840 HD13 ILE 102 2HD1 ILE 102 -15.602 -4.046 22.324 841 H LEU 103 H LEU 103 -11.169 -5.222 24.814 842 HA LEU 103 HA LEU 103 -10.406 -7.718 26.042 843 HB2 LEU 103 2HB LEU 103 -9.721 -4.832 26.725 844 HB3 LEU 103 1HB LEU 103 -9.036 -6.218 27.561 845 HG LEU 103 HG LEU 103 -8.659 -5.613 24.598 846 HD11 LEU 103 1HD1 LEU 103 -7.492 -3.955 25.960 847 HD12 LEU 103 2HD1 LEU 103 -6.344 -5.020 25.155 848 HD13 LEU 103 3HD1 LEU 103 -6.686 -5.233 26.875 849 HD21 LEU 103 3HD2 LEU 103 -7.351 -7.752 26.306 850 HD22 LEU 103 1HD2 LEU 103 -6.968 -7.388 24.621 851 HD23 LEU 103 2HD2 LEU 103 -8.559 -8.015 25.045 852 H GLU 104 H GLU 104 -11.926 -8.696 27.248 853 HA GLU 104 HA GLU 104 -12.997 -7.316 29.601 854 HB2 GLU 104 2HB GLU 104 -15.253 -8.510 29.180 855 HB3 GLU 104 1HB GLU 104 -14.898 -7.091 28.207 856 HG2 GLU 104 2HG GLU 104 -14.342 -8.501 26.282 857 HG3 GLU 104 1HG GLU 104 -14.570 -9.953 27.254 Start of MODEL 19 1 H1 MET 1 1H MET 1 -11.406 -2.727 2.000 2 H2 MET 1 2H MET 1 -12.899 -2.509 1.241 3 H3 MET 1 3H MET 1 -12.189 -1.231 2.082 4 HA MET 1 HA MET 1 -11.960 -0.929 -0.289 5 HB2 MET 1 2HB MET 1 -10.184 -0.053 1.240 6 HB3 MET 1 1HB MET 1 -9.325 -1.582 1.134 7 HG2 MET 1 2HG MET 1 -9.063 -1.158 -1.345 8 HG3 MET 1 1HG MET 1 -9.737 0.445 -1.077 9 HE1 MET 1 3HE MET 1 -8.421 1.420 1.656 10 HE2 MET 1 1HE MET 1 -8.475 2.400 0.190 11 HE3 MET 1 2HE MET 1 -6.952 2.186 1.052 12 H THR 2 H THR 2 -11.935 -2.012 -2.260 13 HA THR 2 HA THR 2 -10.820 -4.726 -2.417 14 HB THR 2 HB THR 2 -12.943 -4.389 -3.590 15 HG1 THR 2 HG1 THR 2 -11.255 -5.790 -4.497 16 HG21 THR 2 3HG2 THR 2 -13.157 -2.978 -5.595 17 HG22 THR 2 1HG2 THR 2 -11.524 -2.356 -5.331 18 HG23 THR 2 2HG2 THR 2 -12.804 -2.007 -4.166 19 H GLY 3 H GLY 3 -9.330 -5.257 -4.181 20 HA2 GLY 3 2HA GLY 3 -6.989 -3.713 -4.199 21 HA3 GLY 3 1HA GLY 3 -7.334 -5.060 -5.271 22 H GLN 4 H GLN 4 -9.813 -3.449 -6.179 23 HA GLN 4 HA GLN 4 -8.614 -2.187 -8.461 24 HB2 GLN 4 2HB GLN 4 -10.855 -3.354 -8.445 25 HB3 GLN 4 1HB GLN 4 -11.505 -2.028 -7.489 26 HG2 GLN 4 2HG GLN 4 -11.015 -0.465 -9.348 27 HG3 GLN 4 1HG GLN 4 -10.397 -1.808 -10.309 28 HE21 GLN 4 1HE2 GLN 4 -12.618 0.007 -10.859 29 HE22 GLN 4 2HE2 GLN 4 -14.011 -0.988 -11.075 30 H GLU 5 H GLU 5 -10.027 -1.028 -5.407 31 HA GLU 5 HA GLU 5 -9.961 1.772 -5.952 32 HB2 GLU 5 2HB GLU 5 -9.659 0.452 -3.214 33 HB3 GLU 5 1HB GLU 5 -10.171 2.103 -3.532 34 HG2 GLU 5 2HG GLU 5 -11.689 -0.418 -4.173 35 HG3 GLU 5 1HG GLU 5 -12.063 0.733 -2.901 36 H LEU 6 H LEU 6 -7.735 -0.414 -4.305 37 HA LEU 6 HA LEU 6 -5.760 1.470 -3.583 38 HB2 LEU 6 2HB LEU 6 -6.143 -0.756 -2.515 39 HB3 LEU 6 1HB LEU 6 -5.543 -1.540 -3.967 40 HG LEU 6 HG LEU 6 -3.280 -0.700 -3.554 41 HD11 LEU 6 1HD1 LEU 6 -3.810 1.499 -2.581 42 HD12 LEU 6 2HD1 LEU 6 -2.670 0.603 -1.582 43 HD13 LEU 6 3HD1 LEU 6 -4.365 0.718 -1.098 44 HD21 LEU 6 3HD2 LEU 6 -3.889 -2.801 -2.479 45 HD22 LEU 6 1HD2 LEU 6 -4.519 -1.939 -1.071 46 HD23 LEU 6 2HD2 LEU 6 -2.795 -1.897 -1.438 47 H ARG 7 H ARG 7 -6.093 -0.703 -6.374 48 HA ARG 7 HA ARG 7 -3.740 -0.187 -7.800 49 HB2 ARG 7 2HB ARG 7 -5.356 -1.950 -8.461 50 HB3 ARG 7 1HB ARG 7 -6.558 -0.727 -8.840 51 HG2 ARG 7 2HG ARG 7 -5.609 -1.612 -10.891 52 HG3 ARG 7 1HG ARG 7 -5.153 0.081 -10.710 53 HD2 ARG 7 2HD ARG 7 -2.908 -0.516 -10.064 54 HD3 ARG 7 1HD ARG 7 -3.326 -2.228 -9.946 55 HE ARG 7 HE ARG 7 -2.974 -0.656 -12.419 56 HH11 ARG 7 1HH1 ARG 7 -3.493 -3.787 -10.914 57 HH12 ARG 7 2HH1 ARG 7 -3.138 -4.671 -12.362 58 HH21 ARG 7 1HH2 ARG 7 -2.503 -1.832 -14.300 59 HH22 ARG 7 2HH2 ARG 7 -2.579 -3.564 -14.279 60 H GLN 8 H GLN 8 -6.914 1.413 -7.974 61 HA GLN 8 HA GLN 8 -6.272 3.323 -9.946 62 HB2 GLN 8 2HB GLN 8 -8.603 2.480 -8.909 63 HB3 GLN 8 1HB GLN 8 -8.407 3.879 -7.870 64 HG2 GLN 8 2HG GLN 8 -8.573 3.899 -10.897 65 HG3 GLN 8 1HG GLN 8 -9.846 4.370 -9.787 66 HE21 GLN 8 1HE2 GLN 8 -6.817 5.287 -11.211 67 HE22 GLN 8 2HE2 GLN 8 -6.836 6.936 -10.737 68 H LEU 9 H LEU 9 -5.997 3.329 -6.419 69 HA LEU 9 HA LEU 9 -5.657 6.111 -6.001 70 HB2 LEU 9 2HB LEU 9 -6.304 4.415 -4.260 71 HB3 LEU 9 1HB LEU 9 -4.664 3.789 -4.290 72 HG LEU 9 HG LEU 9 -3.818 5.952 -3.400 73 HD11 LEU 9 1HD1 LEU 9 -6.727 6.811 -3.270 74 HD12 LEU 9 2HD1 LEU 9 -5.482 7.488 -4.324 75 HD13 LEU 9 3HD1 LEU 9 -5.353 7.683 -2.579 76 HD21 LEU 9 3HD2 LEU 9 -4.702 5.729 -1.119 77 HD22 LEU 9 1HD2 LEU 9 -4.402 4.145 -1.835 78 HD23 LEU 9 2HD2 LEU 9 -6.051 4.761 -1.716 79 H LEU 10 H LEU 10 -3.349 3.514 -6.689 80 HA LEU 10 HA LEU 10 -0.967 5.140 -6.370 81 HB2 LEU 10 2HB LEU 10 -1.183 2.490 -7.846 82 HB3 LEU 10 1HB LEU 10 0.257 3.199 -7.138 83 HG LEU 10 HG LEU 10 -2.115 2.172 -5.538 84 HD11 LEU 10 1HD1 LEU 10 -0.709 0.269 -4.925 85 HD12 LEU 10 2HD1 LEU 10 0.557 0.844 -6.016 86 HD13 LEU 10 3HD1 LEU 10 -1.003 0.327 -6.664 87 HD21 LEU 10 3HD2 LEU 10 -0.911 3.927 -4.350 88 HD22 LEU 10 1HD2 LEU 10 0.611 3.060 -4.578 89 HD23 LEU 10 2HD2 LEU 10 -0.670 2.361 -3.581 90 H LEU 11 H LEU 11 -3.114 4.216 -8.997 91 HA LEU 11 HA LEU 11 -1.496 5.232 -11.172 92 HB2 LEU 11 2HB LEU 11 -4.447 4.490 -11.046 93 HB3 LEU 11 1HB LEU 11 -3.584 4.887 -12.528 94 HG LEU 11 HG LEU 11 -2.979 2.499 -10.743 95 HD11 LEU 11 1HD1 LEU 11 -5.152 2.313 -11.899 96 HD12 LEU 11 2HD1 LEU 11 -3.981 1.127 -12.475 97 HD13 LEU 11 3HD1 LEU 11 -4.343 2.555 -13.452 98 HD21 LEU 11 3HD2 LEU 11 -1.503 1.761 -12.558 99 HD22 LEU 11 1HD2 LEU 11 -0.976 3.303 -11.883 100 HD23 LEU 11 2HD2 LEU 11 -1.816 3.261 -13.436 101 H ASP 12 H ASP 12 -3.812 6.524 -8.986 102 HA ASP 12 HA ASP 12 -4.542 8.874 -10.521 103 HB2 ASP 12 2HB ASP 12 -6.178 7.865 -8.978 104 HB3 ASP 12 1HB ASP 12 -5.081 8.048 -7.617 105 H LYS 13 H LYS 13 -2.567 8.058 -7.701 106 HA LYS 13 HA LYS 13 -1.666 10.721 -7.192 107 HB2 LYS 13 2HB LYS 13 -1.866 8.970 -5.419 108 HB3 LYS 13 1HB LYS 13 -0.557 8.062 -6.174 109 HG2 LYS 13 2HG LYS 13 0.225 9.348 -4.223 110 HG3 LYS 13 1HG LYS 13 1.016 9.889 -5.710 111 HD2 LYS 13 2HD LYS 13 -0.686 11.759 -5.834 112 HD3 LYS 13 1HD LYS 13 -1.276 11.254 -4.249 113 HE2 LYS 13 2HE LYS 13 0.941 11.723 -3.280 114 HE3 LYS 13 1HE LYS 13 1.530 12.225 -4.872 115 HZ1 LYS 13 3HZ LYS 13 -0.673 13.507 -3.341 116 HZ2 LYS 13 1HZ LYS 13 -0.165 13.968 -4.891 117 HZ3 LYS 13 2HZ LYS 13 0.882 14.129 -3.572 118 H TRP 14 H TRP 14 0.059 7.803 -8.368 119 HA TRP 14 HA TRP 14 2.358 9.496 -9.158 120 HB2 TRP 14 2HB TRP 14 2.188 6.540 -8.440 121 HB3 TRP 14 1HB TRP 14 3.652 7.331 -9.018 122 HD1 TRP 14 HD1 TRP 14 4.294 9.642 -7.324 123 HE1 TRP 14 HE1 TRP 14 4.477 9.609 -4.765 124 HE3 TRP 14 HE3 TRP 14 1.510 5.457 -6.345 125 HZ2 TRP 14 HZ2 TRP 14 3.581 8.046 -2.614 126 HZ3 TRP 14 HZ3 TRP 14 1.245 4.761 -4.001 127 HH2 TRP 14 HH2 TRP 14 2.255 6.024 -2.176 128 H GLY 15 H GLY 15 -0.060 7.326 -10.419 129 HA2 GLY 15 2HA GLY 15 -0.639 6.908 -12.627 130 HA3 GLY 15 1HA GLY 15 0.775 7.800 -13.163 131 H TYR 16 H TYR 16 1.295 5.308 -10.836 132 HA TYR 16 HA TYR 16 2.032 3.303 -12.866 133 HB2 TYR 16 2HB TYR 16 3.879 4.310 -10.656 134 HB3 TYR 16 1HB TYR 16 4.151 2.797 -11.516 135 HD1 TYR 16 HD1 TYR 16 4.617 2.839 -13.981 136 HD2 TYR 16 HD2 TYR 16 4.502 6.426 -11.663 137 HE1 TYR 16 HE1 TYR 16 5.743 4.059 -15.810 138 HE2 TYR 16 HE2 TYR 16 5.637 7.638 -13.478 139 HH TYR 16 HH TYR 16 5.872 6.468 -16.599 140 H SER 17 H SER 17 1.814 1.233 -12.232 141 HA SER 17 HA SER 17 0.013 0.737 -10.019 142 HB2 SER 17 2HB SER 17 -0.016 -1.585 -11.111 143 HB3 SER 17 1HB SER 17 -0.559 -0.255 -12.138 144 HG SER 17 HG SER 17 0.911 -1.614 -13.231 145 H TYR 18 H TYR 18 1.722 1.290 -8.403 146 HA TYR 18 HA TYR 18 4.052 -0.330 -8.066 147 HB2 TYR 18 2HB TYR 18 2.652 1.642 -6.216 148 HB3 TYR 18 1HB TYR 18 4.135 0.801 -5.763 149 HD1 TYR 18 HD1 TYR 18 6.177 1.065 -7.318 150 HD2 TYR 18 HD2 TYR 18 2.809 3.690 -7.430 151 HE1 TYR 18 HE1 TYR 18 7.551 2.768 -8.417 152 HE2 TYR 18 HE2 TYR 18 4.189 5.391 -8.526 153 HH TYR 18 HH TYR 18 7.398 4.724 -9.693 154 H ASP 19 H ASP 19 4.547 -1.732 -6.298 155 HA ASP 19 HA ASP 19 2.271 -3.363 -5.380 156 HB2 ASP 19 2HB ASP 19 4.306 -4.421 -6.514 157 HB3 ASP 19 1HB ASP 19 5.258 -3.972 -5.102 158 H VAL 20 H VAL 20 1.606 -3.176 -3.337 159 HA VAL 20 HA VAL 20 3.176 -1.576 -1.394 160 HB VAL 20 HB VAL 20 0.989 -1.232 -0.238 161 HG11 VAL 20 1HG1 VAL 20 0.948 -0.400 -3.167 162 HG12 VAL 20 2HG1 VAL 20 1.768 0.446 -1.853 163 HG13 VAL 20 3HG1 VAL 20 0.009 0.340 -1.865 164 HG21 VAL 20 3HG2 VAL 20 -0.240 -2.680 -2.619 165 HG22 VAL 20 1HG2 VAL 20 -1.133 -1.830 -1.356 166 HG23 VAL 20 2HG2 VAL 20 -0.193 -3.265 -0.955 167 H GLN 21 H GLN 21 3.729 -2.473 0.580 168 HA GLN 21 HA GLN 21 3.000 -5.304 1.094 169 HB2 GLN 21 2HB GLN 21 5.200 -5.267 -0.051 170 HB3 GLN 21 1HB GLN 21 5.823 -4.135 1.144 171 HG2 GLN 21 2HG GLN 21 5.464 -5.881 2.917 172 HG3 GLN 21 1HG GLN 21 4.993 -7.014 1.651 173 HE21 GLN 21 1HE2 GLN 21 7.602 -4.650 1.323 174 HE22 GLN 21 2HE2 GLN 21 8.877 -5.809 1.283 175 H PHE 22 H PHE 22 2.327 -5.606 3.123 176 HA PHE 22 HA PHE 22 2.494 -3.699 5.219 177 HB2 PHE 22 2HB PHE 22 1.751 -6.650 5.206 178 HB3 PHE 22 1HB PHE 22 1.768 -5.705 6.689 179 HD1 PHE 22 HD1 PHE 22 0.441 -3.350 6.473 180 HD2 PHE 22 HD2 PHE 22 -0.324 -6.864 4.176 181 HE1 PHE 22 HE1 PHE 22 -1.865 -2.599 6.075 182 HE2 PHE 22 HE2 PHE 22 -2.618 -6.106 3.788 183 HZ PHE 22 HZ PHE 22 -3.396 -3.974 4.729 184 H ARG 23 H ARG 23 3.673 -3.751 7.146 185 HA ARG 23 HA ARG 23 5.826 -5.619 7.575 186 HB2 ARG 23 2HB ARG 23 6.794 -4.071 5.873 187 HB3 ARG 23 1HB ARG 23 6.486 -2.707 6.944 188 HG2 ARG 23 2HG ARG 23 8.052 -3.661 8.612 189 HG3 ARG 23 1HG ARG 23 8.357 -5.033 7.538 190 HD2 ARG 23 2HD ARG 23 9.170 -3.443 5.813 191 HD3 ARG 23 1HD ARG 23 8.963 -2.122 6.966 192 HE ARG 23 HE ARG 23 10.594 -3.975 8.209 193 HH11 ARG 23 1HH1 ARG 23 10.758 -2.003 5.293 194 HH12 ARG 23 2HH1 ARG 23 12.493 -1.899 5.321 195 HH21 ARG 23 1HH2 ARG 23 12.860 -3.865 8.203 196 HH22 ARG 23 2HH2 ARG 23 13.678 -2.953 6.969 197 H ARG 24 H ARG 24 5.944 -5.858 9.659 198 HA ARG 24 HA ARG 24 4.745 -3.878 11.481 199 HB2 ARG 24 2HB ARG 24 4.871 -5.718 13.191 200 HB3 ARG 24 1HB ARG 24 3.864 -6.095 11.802 201 HG2 ARG 24 2HG ARG 24 5.716 -7.473 10.864 202 HG3 ARG 24 1HG ARG 24 6.670 -7.135 12.307 203 HD2 ARG 24 2HD ARG 24 4.999 -8.277 13.702 204 HD3 ARG 24 1HD ARG 24 3.997 -8.577 12.275 205 HE ARG 24 HE ARG 24 6.727 -9.627 12.236 206 HH11 ARG 24 1HH1 ARG 24 3.310 -10.347 12.726 207 HH12 ARG 24 2HH1 ARG 24 3.523 -12.056 12.537 208 HH21 ARG 24 1HH2 ARG 24 6.986 -11.866 11.995 209 HH22 ARG 24 2HH2 ARG 24 5.617 -12.922 12.122 210 H THR 25 H THR 25 6.136 -2.363 12.041 211 HA THR 25 HA THR 25 8.804 -3.033 13.070 212 HB THR 25 HB THR 25 9.323 -2.576 10.759 213 HG1 THR 25 HG1 THR 25 10.730 -1.584 12.288 214 HG21 THR 25 3HG2 THR 25 7.282 -1.391 10.072 215 HG22 THR 25 1HG2 THR 25 8.725 -0.498 9.588 216 HG23 THR 25 2HG2 THR 25 7.788 0.033 10.988 217 H GLN 26 H GLN 26 9.528 -1.661 14.649 218 HA GLN 26 HA GLN 26 9.456 -0.274 16.421 219 HB2 GLN 26 2HB GLN 26 7.783 1.495 14.588 220 HB3 GLN 26 1HB GLN 26 8.423 2.005 16.142 221 HG2 GLN 26 2HG GLN 26 10.099 1.160 13.760 222 HG3 GLN 26 1HG GLN 26 9.788 2.824 14.251 223 HE21 GLN 26 1HE2 GLN 26 12.346 1.394 13.997 224 HE22 GLN 26 2HE2 GLN 26 13.100 1.479 15.549 225 H GLY 27 H GLY 27 7.177 -2.241 15.779 226 HA2 GLY 27 2HA GLY 27 5.832 -3.224 17.460 227 HA3 GLY 27 1HA GLY 27 5.591 -1.644 18.192 228 H LYS 28 H LYS 28 5.212 -0.848 15.141 229 HA LYS 28 HA LYS 28 2.280 -1.246 15.190 230 HB2 LYS 28 2HB LYS 28 3.913 0.908 13.786 231 HB3 LYS 28 1HB LYS 28 2.158 0.855 13.939 232 HG2 LYS 28 2HG LYS 28 2.275 1.289 16.300 233 HG3 LYS 28 1HG LYS 28 4.027 1.064 16.309 234 HD2 LYS 28 2HD LYS 28 4.362 3.057 14.991 235 HD3 LYS 28 1HD LYS 28 2.620 3.274 14.763 236 HE2 LYS 28 2HE LYS 28 4.149 3.509 17.377 237 HE3 LYS 28 1HE LYS 28 3.421 4.822 16.456 238 HZ1 LYS 28 3HZ LYS 28 2.032 2.653 17.913 239 HZ2 LYS 28 1HZ LYS 28 1.243 3.663 16.816 240 HZ3 LYS 28 2HZ LYS 28 1.948 4.315 18.205 241 H ILE 29 H ILE 29 1.215 -1.416 13.077 242 HA ILE 29 HA ILE 29 2.783 -2.817 11.028 243 HB ILE 29 HB ILE 29 0.614 -3.804 11.738 244 HG12 ILE 29 2HG1 ILE 29 -0.375 -4.192 9.449 245 HG13 ILE 29 1HG1 ILE 29 0.642 -2.899 8.821 246 HG21 ILE 29 1HG2 ILE 29 -1.551 -2.798 11.140 247 HG22 ILE 29 2HG2 ILE 29 -0.720 -1.346 10.577 248 HG23 ILE 29 3HG2 ILE 29 -0.650 -1.795 12.282 249 HD11 ILE 29 3HD1 ILE 29 1.638 -5.466 10.068 250 HD12 ILE 29 1HD1 ILE 29 2.645 -4.191 9.375 251 HD13 ILE 29 2HD1 ILE 29 1.556 -5.115 8.345 252 H PHE 30 H PHE 30 3.255 -1.943 9.069 253 HA PHE 30 HA PHE 30 2.302 0.758 8.307 254 HB2 PHE 30 2HB PHE 30 5.178 -0.281 8.266 255 HB3 PHE 30 1HB PHE 30 4.663 1.141 7.365 256 HD1 PHE 30 HD2 PHE 30 5.046 -0.232 10.825 257 HD2 PHE 30 HD1 PHE 30 4.516 3.279 8.436 258 HE1 PHE 30 HE2 PHE 30 5.496 1.181 12.786 259 HE2 PHE 30 HE1 PHE 30 4.966 4.683 10.411 260 HZ PHE 30 HZ PHE 30 5.458 3.636 12.589 261 H LEU 31 H LEU 31 1.990 1.034 6.086 262 HA LEU 31 HA LEU 31 2.327 -1.381 4.386 263 HB2 LEU 31 2HB LEU 31 -0.009 -0.469 4.602 264 HB3 LEU 31 1HB LEU 31 0.540 1.051 3.908 265 HG LEU 31 HG LEU 31 1.127 -0.154 1.786 266 HD11 LEU 31 1HD1 LEU 31 0.355 -2.448 1.421 267 HD12 LEU 31 2HD1 LEU 31 -0.131 -2.567 3.114 268 HD13 LEU 31 3HD1 LEU 31 1.572 -2.366 2.694 269 HD21 LEU 31 3HD2 LEU 31 -1.055 0.954 1.968 270 HD22 LEU 31 1HD2 LEU 31 -1.763 -0.512 2.654 271 HD23 LEU 31 2HD2 LEU 31 -1.176 -0.506 0.988 272 H GLN 32 H GLN 32 4.420 -1.162 3.643 273 HA GLN 32 HA GLN 32 5.423 1.406 2.693 274 HB2 GLN 32 2HB GLN 32 6.797 -1.317 2.808 275 HB3 GLN 32 1HB GLN 32 7.579 0.212 2.407 276 HG2 GLN 32 2HG GLN 32 6.798 1.022 4.734 277 HG3 GLN 32 1HG GLN 32 6.452 -0.670 5.071 278 HE21 GLN 32 1HE2 GLN 32 8.386 1.170 6.313 279 HE22 GLN 32 2HE2 GLN 32 9.931 0.410 6.162 280 H VAL 33 H VAL 33 4.717 2.008 0.766 281 HA VAL 33 HA VAL 33 4.133 0.352 -1.471 282 HB VAL 33 HB VAL 33 4.842 3.331 -1.478 283 HG11 VAL 33 1HG1 VAL 33 3.549 3.440 -3.577 284 HG12 VAL 33 2HG1 VAL 33 3.297 1.694 -3.517 285 HG13 VAL 33 3HG1 VAL 33 4.925 2.341 -3.720 286 HG21 VAL 33 3HG2 VAL 33 2.426 3.786 -1.354 287 HG22 VAL 33 1HG2 VAL 33 2.983 2.908 0.072 288 HG23 VAL 33 2HG2 VAL 33 2.099 2.058 -1.197 289 H MET 34 H MET 34 5.722 -0.884 -2.299 290 HA MET 34 HA MET 34 8.498 -0.295 -2.370 291 HB2 MET 34 2HB MET 34 6.869 -2.280 -4.015 292 HB3 MET 34 1HB MET 34 8.626 -2.255 -3.947 293 HG2 MET 34 2HG MET 34 6.839 -2.764 -1.559 294 HG3 MET 34 1HG MET 34 7.552 -4.023 -2.560 295 HE1 MET 34 3HE MET 34 8.639 -0.787 -0.405 296 HE2 MET 34 1HE MET 34 9.660 -1.645 0.745 297 HE3 MET 34 2HE MET 34 7.944 -2.033 0.634 298 H TRP 35 H TRP 35 9.807 0.171 -4.139 299 HA TRP 35 HA TRP 35 8.951 1.973 -6.177 300 HB2 TRP 35 2HB TRP 35 11.352 1.676 -6.990 301 HB3 TRP 35 1HB TRP 35 11.187 2.196 -5.319 302 HD1 TRP 35 HD1 TRP 35 12.439 -0.781 -7.411 303 HE1 TRP 35 HE1 TRP 35 13.736 -2.372 -5.864 304 HE3 TRP 35 HE3 TRP 35 11.324 1.345 -2.875 305 HZ2 TRP 35 HZ2 TRP 35 14.229 -2.698 -3.111 306 HZ3 TRP 35 HZ3 TRP 35 12.242 0.320 -0.837 307 HH2 TRP 35 HH2 TRP 35 13.666 -1.662 -0.956 308 H LYS 36 H LYS 36 8.759 -1.362 -5.934 309 HA LYS 36 HA LYS 36 9.096 -2.150 -8.669 310 HB2 LYS 36 2HB LYS 36 7.620 -3.564 -6.400 311 HB3 LYS 36 1HB LYS 36 8.234 -4.312 -7.877 312 HG2 LYS 36 2HG LYS 36 10.525 -4.012 -7.188 313 HG3 LYS 36 1HG LYS 36 10.049 -2.961 -5.849 314 HD2 LYS 36 2HD LYS 36 8.878 -4.917 -4.788 315 HD3 LYS 36 1HD LYS 36 9.493 -5.946 -6.087 316 HE2 LYS 36 2HE LYS 36 11.804 -5.471 -5.400 317 HE3 LYS 36 1HE LYS 36 11.223 -4.376 -4.140 318 HZ1 LYS 36 3HZ LYS 36 10.661 -7.296 -4.276 319 HZ2 LYS 36 1HZ LYS 36 10.137 -6.251 -3.061 320 HZ3 LYS 36 2HZ LYS 36 11.785 -6.563 -3.251 321 H TYR 37 H TYR 37 7.598 -1.961 -10.267 322 HA TYR 37 HA TYR 37 4.724 -1.828 -9.650 323 HB2 TYR 37 2HB TYR 37 4.448 -0.004 -11.427 324 HB3 TYR 37 1HB TYR 37 5.133 0.517 -9.906 325 HD1 TYR 37 HD1 TYR 37 7.575 1.083 -9.754 326 HD2 TYR 37 HD2 TYR 37 5.728 0.163 -13.471 327 HE1 TYR 37 HE1 TYR 37 9.465 2.109 -10.939 328 HE2 TYR 37 HE2 TYR 37 7.607 1.172 -14.660 329 HH TYR 37 HH TYR 37 10.524 2.006 -13.121 330 H LEU 38 H LEU 38 3.350 -2.335 -11.487 331 HA LEU 38 HA LEU 38 4.212 -4.825 -12.522 332 HB2 LEU 38 2HB LEU 38 1.860 -4.289 -11.814 333 HB3 LEU 38 1HB LEU 38 1.690 -3.274 -13.236 334 HG LEU 38 HG LEU 38 2.083 -5.336 -14.665 335 HD11 LEU 38 1HD1 LEU 38 1.799 -6.840 -12.048 336 HD12 LEU 38 2HD1 LEU 38 3.247 -6.746 -13.055 337 HD13 LEU 38 3HD1 LEU 38 1.807 -7.555 -13.663 338 HD21 LEU 38 3HD2 LEU 38 -0.186 -6.216 -14.423 339 HD22 LEU 38 1HD2 LEU 38 -0.173 -4.456 -14.295 340 HD23 LEU 38 2HD2 LEU 38 -0.338 -5.445 -12.843 341 H GLU 39 H GLU 39 4.440 -1.679 -13.879 342 HA GLU 39 HA GLU 39 4.297 -2.202 -16.657 343 HB2 GLU 39 2HB GLU 39 5.960 -0.049 -15.298 344 HB3 GLU 39 1HB GLU 39 5.409 -0.039 -16.964 345 HG2 GLU 39 2HG GLU 39 3.534 0.030 -14.575 346 HG3 GLU 39 1HG GLU 39 4.136 1.471 -15.392 347 H GLN 40 H GLN 40 6.863 -2.648 -14.329 348 HA GLN 40 HA GLN 40 8.923 -3.201 -16.309 349 HB2 GLN 40 2HB GLN 40 8.954 -3.577 -13.279 350 HB3 GLN 40 1HB GLN 40 10.349 -3.734 -14.340 351 HG2 GLN 40 2HG GLN 40 8.774 -1.212 -13.799 352 HG3 GLN 40 1HG GLN 40 10.379 -1.594 -13.186 353 HE21 GLN 40 1HE2 GLN 40 11.423 -2.652 -15.689 354 HE22 GLN 40 2HE2 GLN 40 11.590 -1.313 -16.767 355 H ALA 41 H ALA 41 9.647 -5.211 -16.899 356 HA ALA 41 HA ALA 41 7.894 -7.500 -16.500 357 HB1 ALA 41 3HB ALA 41 10.364 -7.234 -18.259 358 HB2 ALA 41 1HB ALA 41 8.703 -6.921 -18.759 359 HB3 ALA 41 2HB ALA 41 9.187 -8.554 -18.302 360 H SER 42 H SER 42 10.360 -6.327 -14.683 361 HA SER 42 HA SER 42 11.351 -8.973 -13.813 362 HB2 SER 42 2HB SER 42 12.300 -6.166 -13.091 363 HB3 SER 42 1HB SER 42 13.062 -7.672 -12.575 364 HG SER 42 HG SER 42 13.029 -7.996 -15.081 365 H PHE 43 H PHE 43 8.639 -7.593 -13.272 366 HA PHE 43 HA PHE 43 8.470 -6.933 -10.530 367 HB2 PHE 43 2HB PHE 43 6.846 -6.258 -12.377 368 HB3 PHE 43 1HB PHE 43 6.221 -7.905 -12.362 369 HD1 PHE 43 HD1 PHE 43 6.684 -4.866 -10.270 370 HD2 PHE 43 HD2 PHE 43 4.563 -8.540 -10.752 371 HE1 PHE 43 HE1 PHE 43 5.213 -4.264 -8.408 372 HE2 PHE 43 HE2 PHE 43 3.092 -7.929 -8.888 373 HZ PHE 43 HZ PHE 43 3.426 -5.793 -7.709 374 HA PRO 44 HA PRO 44 8.897 -10.944 -8.553 375 HB2 PRO 44 2HB PRO 44 7.172 -10.508 -6.344 376 HB3 PRO 44 1HB PRO 44 8.879 -10.044 -6.442 377 HG2 PRO 44 2HG PRO 44 6.446 -8.382 -6.978 378 HG3 PRO 44 1HG PRO 44 7.936 -7.952 -6.105 379 HD2 PRO 44 2HD PRO 44 7.578 -7.093 -8.588 380 HD3 PRO 44 1HD PRO 44 9.179 -7.697 -8.098 381 H MET 45 H MET 45 5.549 -9.798 -8.997 382 HA MET 45 HA MET 45 4.623 -12.617 -9.228 383 HB2 MET 45 2HB MET 45 3.158 -10.117 -8.289 384 HB3 MET 45 1HB MET 45 2.286 -11.549 -8.815 385 HG2 MET 45 2HG MET 45 2.380 -11.657 -6.456 386 HG3 MET 45 1HG MET 45 3.544 -12.844 -7.040 387 HE1 MET 45 3HE MET 45 4.656 -8.753 -5.200 388 HE2 MET 45 1HE MET 45 3.010 -9.382 -5.275 389 HE3 MET 45 2HE MET 45 3.837 -8.895 -6.756 390 H ASN 46 H ASN 46 2.556 -12.722 -10.596 391 HA ASN 46 HA ASN 46 3.023 -11.648 -13.261 392 HB2 ASN 46 2HB ASN 46 0.867 -13.502 -12.142 393 HB3 ASN 46 1HB ASN 46 1.025 -13.087 -13.844 394 HD21 ASN 46 1HD2 ASN 46 1.169 -15.701 -12.482 395 HD22 ASN 46 2HD2 ASN 46 2.698 -16.376 -12.930 396 H GLU 47 H GLU 47 0.641 -11.131 -14.336 397 HA GLU 47 HA GLU 47 -0.082 -8.538 -13.473 398 HB2 GLU 47 2HB GLU 47 -0.266 -9.274 -15.816 399 HB3 GLU 47 1HB GLU 47 -1.471 -10.481 -15.374 400 HG2 GLU 47 2HG GLU 47 -2.948 -8.558 -14.614 401 HG3 GLU 47 1HG GLU 47 -1.782 -7.467 -15.353 402 H THR 48 H THR 48 -2.068 -11.541 -13.488 403 HA THR 48 HA THR 48 -4.251 -10.496 -12.009 404 HB THR 48 HB THR 48 -3.480 -13.443 -12.296 405 HG1 THR 48 HG1 THR 48 -5.317 -12.094 -13.979 406 HG21 THR 48 3HG2 THR 48 -6.210 -12.184 -11.839 407 HG22 THR 48 1HG2 THR 48 -5.259 -13.039 -10.614 408 HG23 THR 48 2HG2 THR 48 -5.872 -13.907 -12.021 409 H GLU 49 H GLU 49 -1.431 -12.431 -11.074 410 HA GLU 49 HA GLU 49 -1.925 -12.858 -8.363 411 HB2 GLU 49 2HB GLU 49 0.714 -12.433 -9.817 412 HB3 GLU 49 1HB GLU 49 0.596 -13.010 -8.159 413 HG2 GLU 49 2HG GLU 49 -0.661 -14.440 -10.504 414 HG3 GLU 49 1HG GLU 49 0.965 -14.776 -9.927 415 H TYR 50 H TYR 50 -0.437 -10.054 -9.979 416 HA TYR 50 HA TYR 50 0.266 -8.567 -7.671 417 HB2 TYR 50 2HB TYR 50 1.336 -7.845 -9.658 418 HB3 TYR 50 1HB TYR 50 -0.158 -7.838 -10.588 419 HD1 TYR 50 HD1 TYR 50 1.361 -6.079 -7.606 420 HD2 TYR 50 HD2 TYR 50 -1.094 -5.734 -11.085 421 HE1 TYR 50 HE1 TYR 50 1.061 -3.685 -7.164 422 HE2 TYR 50 HE2 TYR 50 -1.380 -3.345 -10.638 423 HH TYR 50 HH TYR 50 0.378 -1.673 -8.198 424 H GLN 51 H GLN 51 -2.664 -8.509 -9.723 425 HA GLN 51 HA GLN 51 -3.855 -6.268 -8.442 426 HB2 GLN 51 2HB GLN 51 -4.416 -7.049 -10.765 427 HB3 GLN 51 1HB GLN 51 -5.261 -8.428 -10.072 428 HG2 GLN 51 2HG GLN 51 -6.829 -6.640 -10.739 429 HG3 GLN 51 1HG GLN 51 -6.886 -6.936 -9.000 430 HE21 GLN 51 1HE2 GLN 51 -7.752 -4.875 -8.586 431 HE22 GLN 51 2HE2 GLN 51 -6.811 -3.437 -8.703 432 H GLU 52 H GLU 52 -4.093 -9.739 -7.921 433 HA GLU 52 HA GLU 52 -6.079 -9.618 -5.831 434 HB2 GLU 52 2HB GLU 52 -4.180 -11.859 -6.637 435 HB3 GLU 52 1HB GLU 52 -5.516 -12.021 -5.500 436 HG2 GLU 52 2HG GLU 52 -7.115 -11.458 -7.307 437 HG3 GLU 52 1HG GLU 52 -5.776 -11.352 -8.453 438 H HIS 53 H HIS 53 -2.577 -9.406 -5.983 439 HA HIS 53 HA HIS 53 -1.997 -9.702 -3.215 440 HB2 HIS 53 2HB HIS 53 -0.141 -9.722 -4.785 441 HB3 HIS 53 1HB HIS 53 -0.551 -8.127 -5.399 442 HD1 HIS 53 HD1 HIS 53 1.268 -9.846 -2.650 443 HD2 HIS 53 HD2 HIS 53 0.262 -5.969 -3.732 444 HE1 HIS 53 HE1 HIS 53 2.695 -8.358 -1.230 445 HE2 HIS 53 HE2 HIS 53 2.310 -6.065 -2.166 446 H LEU 54 H LEU 54 -2.794 -6.854 -5.215 447 HA LEU 54 HA LEU 54 -2.819 -4.888 -3.197 448 HB2 LEU 54 2HB LEU 54 -4.544 -5.035 -5.703 449 HB3 LEU 54 1HB LEU 54 -4.353 -3.605 -4.700 450 HG LEU 54 HG LEU 54 -2.171 -4.910 -6.365 451 HD11 LEU 54 1HD1 LEU 54 -2.348 -2.865 -7.726 452 HD12 LEU 54 2HD1 LEU 54 -3.701 -2.315 -6.741 453 HD13 LEU 54 3HD1 LEU 54 -3.852 -3.778 -7.717 454 HD21 LEU 54 3HD2 LEU 54 -2.048 -2.402 -4.647 455 HD22 LEU 54 1HD2 LEU 54 -0.790 -2.954 -5.757 456 HD23 LEU 54 2HD2 LEU 54 -1.201 -3.922 -4.343 457 H ASP 55 H ASP 55 -5.279 -7.130 -4.356 458 HA ASP 55 HA ASP 55 -7.482 -6.086 -2.869 459 HB2 ASP 55 2HB ASP 55 -7.670 -7.452 -4.975 460 HB3 ASP 55 1HB ASP 55 -7.141 -8.873 -4.080 461 H SER 56 H SER 56 -5.024 -8.492 -2.231 462 HA SER 56 HA SER 56 -6.174 -9.605 0.144 463 HB2 SER 56 2HB SER 56 -4.447 -10.756 -1.329 464 HB3 SER 56 1HB SER 56 -3.222 -9.676 -0.652 465 HG SER 56 HG SER 56 -4.766 -11.673 0.610 466 H VAL 57 H VAL 57 -3.730 -7.130 -0.534 467 HA VAL 57 HA VAL 57 -3.114 -6.357 2.114 468 HB VAL 57 HB VAL 57 -2.958 -4.855 -0.539 469 HG11 VAL 57 1HG1 VAL 57 -1.985 -3.848 2.161 470 HG12 VAL 57 2HG1 VAL 57 -3.274 -3.148 1.179 471 HG13 VAL 57 3HG1 VAL 57 -1.610 -3.110 0.603 472 HG21 VAL 57 3HG2 VAL 57 -0.518 -5.174 -0.300 473 HG22 VAL 57 1HG2 VAL 57 -1.368 -6.722 -0.274 474 HG23 VAL 57 2HG2 VAL 57 -0.770 -6.019 1.231 475 H ALA 58 H ALA 58 -5.463 -5.142 -0.229 476 HA ALA 58 HA ALA 58 -6.516 -3.006 1.293 477 HB1 ALA 58 3HB ALA 58 -6.650 -3.110 -1.149 478 HB2 ALA 58 1HB ALA 58 -8.259 -2.943 -0.451 479 HB3 ALA 58 2HB ALA 58 -7.717 -4.513 -1.052 480 H ASN 59 H ASN 59 -7.268 -6.403 1.151 481 HA ASN 59 HA ASN 59 -9.710 -6.510 2.555 482 HB2 ASN 59 2HB ASN 59 -8.773 -8.465 1.367 483 HB3 ASN 59 1HB ASN 59 -7.397 -8.504 2.463 484 HD21 ASN 59 1HD2 ASN 59 -7.785 -10.584 3.173 485 HD22 ASN 59 2HD2 ASN 59 -9.147 -11.021 4.143 486 H TYR 60 H TYR 60 -6.324 -6.677 3.724 487 HA TYR 60 HA TYR 60 -7.027 -6.691 6.512 488 HB2 TYR 60 2HB TYR 60 -4.378 -6.184 5.107 489 HB3 TYR 60 1HB TYR 60 -4.544 -6.199 6.858 490 HD1 TYR 60 HD1 TYR 60 -5.455 -8.343 7.955 491 HD2 TYR 60 HD2 TYR 60 -3.987 -8.230 3.948 492 HE1 TYR 60 HE1 TYR 60 -5.123 -10.763 8.012 493 HE2 TYR 60 HE2 TYR 60 -3.654 -10.669 4.001 494 HH TYR 60 HH TYR 60 -4.957 -12.645 6.437 495 H LEU 61 H LEU 61 -6.410 -4.145 4.188 496 HA LEU 61 HA LEU 61 -6.018 -1.991 5.989 497 HB2 LEU 61 2HB LEU 61 -7.198 -1.984 3.179 498 HB3 LEU 61 1HB LEU 61 -6.785 -0.531 4.076 499 HG LEU 61 HG LEU 61 -4.851 -2.646 3.067 500 HD11 LEU 61 1HD1 LEU 61 -5.643 -1.132 1.316 501 HD12 LEU 61 2HD1 LEU 61 -3.937 -0.863 1.662 502 HD13 LEU 61 3HD1 LEU 61 -5.149 0.268 2.273 503 HD21 LEU 61 3HD2 LEU 61 -3.041 -1.218 3.971 504 HD22 LEU 61 1HD2 LEU 61 -4.061 -1.911 5.231 505 HD23 LEU 61 2HD2 LEU 61 -4.251 -0.214 4.778 506 H HIS 62 H HIS 62 -8.934 -3.431 4.581 507 HA HIS 62 HA HIS 62 -10.818 -1.714 5.876 508 HB2 HIS 62 2HB HIS 62 -11.426 -3.074 3.886 509 HB3 HIS 62 1HB HIS 62 -11.186 -4.559 4.809 510 HD1 HIS 62 HD1 HIS 62 -13.150 -5.380 6.194 511 HD2 HIS 62 HD2 HIS 62 -13.740 -1.525 4.738 512 HE1 HIS 62 HE1 HIS 62 -15.535 -4.816 6.719 513 HE2 HIS 62 HE2 HIS 62 -15.886 -2.509 5.791 514 H ALA 63 H ALA 63 -9.497 -4.928 6.628 515 HA ALA 63 HA ALA 63 -11.110 -5.647 8.783 516 HB1 ALA 63 3HB ALA 63 -9.713 -7.220 7.518 517 HB2 ALA 63 1HB ALA 63 -9.404 -7.355 9.251 518 HB3 ALA 63 2HB ALA 63 -8.258 -6.503 8.209 519 H LEU 64 H LEU 64 -7.887 -4.141 8.844 520 HA LEU 64 HA LEU 64 -7.789 -4.033 11.745 521 HB2 LEU 64 2HB LEU 64 -5.845 -2.994 9.637 522 HB3 LEU 64 1HB LEU 64 -5.521 -3.075 11.361 523 HG LEU 64 HG LEU 64 -6.030 -5.504 9.598 524 HD11 LEU 64 1HD1 LEU 64 -3.923 -4.434 8.961 525 HD12 LEU 64 2HD1 LEU 64 -3.640 -5.987 9.741 526 HD13 LEU 64 3HD1 LEU 64 -3.366 -4.486 10.637 527 HD21 LEU 64 3HD2 LEU 64 -5.222 -6.821 11.515 528 HD22 LEU 64 1HD2 LEU 64 -6.675 -5.905 11.915 529 HD23 LEU 64 2HD2 LEU 64 -5.098 -5.349 12.481 530 H GLY 65 H GLY 65 -8.995 -2.020 9.268 531 HA2 GLY 65 2HA GLY 65 -10.067 0.022 9.394 532 HA3 GLY 65 1HA GLY 65 -9.584 0.158 11.079 533 H GLY 66 H GLY 66 -7.327 -0.431 8.449 534 HA2 GLY 66 2HA GLY 66 -6.047 2.207 8.906 535 HA3 GLY 66 1HA GLY 66 -5.224 0.750 8.371 536 H ALA 67 H ALA 67 -8.247 1.178 6.828 537 HA ALA 67 HA ALA 67 -7.047 1.406 4.250 538 HB1 ALA 67 3HB ALA 67 -9.151 0.190 4.629 539 HB2 ALA 67 1HB ALA 67 -9.346 1.432 3.388 540 HB3 ALA 67 2HB ALA 67 -9.967 1.703 5.019 541 H VAL 68 H VAL 68 -8.998 3.654 6.192 542 HA VAL 68 HA VAL 68 -8.891 5.878 4.427 543 HB VAL 68 HB VAL 68 -9.320 5.848 7.462 544 HG11 VAL 68 1HG1 VAL 68 -10.403 8.053 7.194 545 HG12 VAL 68 2HG1 VAL 68 -9.991 8.059 5.477 546 HG13 VAL 68 3HG1 VAL 68 -8.711 8.113 6.688 547 HG21 VAL 68 3HG2 VAL 68 -10.978 4.481 6.243 548 HG22 VAL 68 1HG2 VAL 68 -11.375 5.860 5.218 549 HG23 VAL 68 2HG2 VAL 68 -11.729 5.912 6.948 550 H GLN 69 H GLN 69 -6.691 4.677 6.923 551 HA GLN 69 HA GLN 69 -4.989 6.928 7.186 552 HB2 GLN 69 2HB GLN 69 -4.200 3.993 7.462 553 HB3 GLN 69 1HB GLN 69 -3.324 5.367 8.122 554 HG2 GLN 69 2HG GLN 69 -6.122 4.564 8.965 555 HG3 GLN 69 1HG GLN 69 -4.652 4.069 9.794 556 HE21 GLN 69 1HE2 GLN 69 -5.409 5.032 11.724 557 HE22 GLN 69 2HE2 GLN 69 -5.390 6.745 11.958 558 H VAL 70 H VAL 70 -4.986 4.218 4.897 559 HA VAL 70 HA VAL 70 -2.552 4.874 3.534 560 HB VAL 70 HB VAL 70 -4.917 3.148 2.653 561 HG11 VAL 70 1HG1 VAL 70 -2.149 3.325 1.406 562 HG12 VAL 70 2HG1 VAL 70 -3.659 3.858 0.665 563 HG13 VAL 70 3HG1 VAL 70 -3.389 2.142 0.980 564 HG21 VAL 70 3HG2 VAL 70 -3.472 1.254 3.301 565 HG22 VAL 70 1HG2 VAL 70 -3.803 2.318 4.666 566 HG23 VAL 70 2HG2 VAL 70 -2.236 2.385 3.857 567 H LYS 71 H LYS 71 -6.000 5.449 2.804 568 HA LYS 71 HA LYS 71 -5.683 6.767 0.330 569 HB2 LYS 71 2HB LYS 71 -7.906 6.996 2.397 570 HB3 LYS 71 1HB LYS 71 -8.004 7.673 0.775 571 HG2 LYS 71 2HG LYS 71 -7.838 5.413 -0.198 572 HG3 LYS 71 1HG LYS 71 -7.681 4.726 1.423 573 HD2 LYS 71 2HD LYS 71 -9.979 4.447 0.662 574 HD3 LYS 71 1HD LYS 71 -9.949 5.605 1.993 575 HE2 LYS 71 2HE LYS 71 -9.994 7.458 0.260 576 HE3 LYS 71 1HE LYS 71 -10.246 6.216 -0.966 577 HZ1 LYS 71 3HZ LYS 71 -12.052 6.868 1.302 578 HZ2 LYS 71 1HZ LYS 71 -12.258 5.530 0.285 579 HZ3 LYS 71 2HZ LYS 71 -12.350 7.093 -0.349 580 H THR 72 H THR 72 -5.842 8.046 3.643 581 HA THR 72 HA THR 72 -5.775 10.810 3.051 582 HB THR 72 HB THR 72 -4.835 9.357 5.579 583 HG1 THR 72 HG1 THR 72 -7.176 9.341 4.735 584 HG21 THR 72 3HG2 THR 72 -3.902 11.638 5.526 585 HG22 THR 72 1HG2 THR 72 -5.192 11.539 6.728 586 HG23 THR 72 2HG2 THR 72 -5.496 12.305 5.168 587 H PHE 73 H PHE 73 -3.196 8.462 3.830 588 HA PHE 73 HA PHE 73 -1.109 10.381 3.955 589 HB2 PHE 73 2HB PHE 73 -0.946 8.156 5.070 590 HB3 PHE 73 1HB PHE 73 -0.832 7.380 3.493 591 HD1 PHE 73 HD2 PHE 73 0.879 9.898 5.687 592 HD2 PHE 73 HD1 PHE 73 1.300 7.153 2.443 593 HE1 PHE 73 HE2 PHE 73 3.314 10.233 5.708 594 HE2 PHE 73 HE1 PHE 73 3.729 7.493 2.472 595 HZ PHE 73 HZ PHE 73 4.738 9.024 4.096 596 H ILE 74 H ILE 74 -1.964 7.988 1.405 597 HA ILE 74 HA ILE 74 0.090 8.605 -0.399 598 HB ILE 74 HB ILE 74 -2.643 7.335 -0.875 599 HG12 ILE 74 2HG1 ILE 74 0.193 6.210 -0.696 600 HG13 ILE 74 1HG1 ILE 74 -1.110 5.972 0.460 601 HG21 ILE 74 1HG2 ILE 74 -1.892 6.633 -3.124 602 HG22 ILE 74 2HG2 ILE 74 -0.417 7.581 -2.933 603 HG23 ILE 74 3HG2 ILE 74 -1.981 8.394 -3.001 604 HD11 ILE 74 3HD1 ILE 74 -0.766 3.982 -0.832 605 HD12 ILE 74 1HD1 ILE 74 -0.981 4.868 -2.343 606 HD13 ILE 74 2HD1 ILE 74 -2.339 4.670 -1.231 607 H THR 75 H THR 75 -3.169 10.023 -0.094 608 HA THR 75 HA THR 75 -2.980 11.707 -2.392 609 HB THR 75 HB THR 75 -4.791 11.909 0.051 610 HG1 THR 75 HG1 THR 75 -5.593 10.206 -0.948 611 HG21 THR 75 3HG2 THR 75 -6.263 13.314 -1.380 612 HG22 THR 75 1HG2 THR 75 -5.024 13.329 -2.636 613 HG23 THR 75 2HG2 THR 75 -4.715 14.104 -1.080 614 H GLN 76 H GLN 76 -2.519 12.384 1.106 615 HA GLN 76 HA GLN 76 -1.952 15.172 0.693 616 HB2 GLN 76 2HB GLN 76 -1.741 13.418 3.168 617 HB3 GLN 76 1HB GLN 76 -1.327 15.130 3.175 618 HG2 GLN 76 2HG GLN 76 -3.685 15.637 2.424 619 HG3 GLN 76 1HG GLN 76 -4.051 13.921 2.623 620 HE21 GLN 76 1HE2 GLN 76 -5.629 14.458 4.199 621 HE22 GLN 76 2HE2 GLN 76 -5.193 14.909 5.807 622 H THR 77 H THR 77 0.057 12.343 0.695 623 HA THR 77 HA THR 77 2.537 13.765 1.216 624 HB THR 77 HB THR 77 2.226 11.270 1.763 625 HG1 THR 77 HG1 THR 77 4.291 12.185 1.735 626 HG21 THR 77 3HG2 THR 77 1.200 10.523 -0.372 627 HG22 THR 77 1HG2 THR 77 2.671 9.616 -0.010 628 HG23 THR 77 2HG2 THR 77 2.697 10.897 -1.227 629 H LYS 78 H LYS 78 4.329 13.369 -0.537 630 HA LYS 78 HA LYS 78 3.413 13.360 -3.305 631 HB2 LYS 78 2HB LYS 78 4.619 15.446 -3.898 632 HB3 LYS 78 1HB LYS 78 3.317 15.759 -2.760 633 HG2 LYS 78 2HG LYS 78 4.973 15.886 -0.911 634 HG3 LYS 78 1HG LYS 78 6.275 15.617 -2.076 635 HD2 LYS 78 2HD LYS 78 5.585 17.705 -3.275 636 HD3 LYS 78 1HD LYS 78 4.348 17.973 -2.043 637 HE2 LYS 78 2HE LYS 78 6.263 19.352 -1.536 638 HE3 LYS 78 1HE LYS 78 6.157 18.083 -0.315 639 HZ1 LYS 78 3HZ LYS 78 7.897 16.873 -1.460 640 HZ2 LYS 78 1HZ LYS 78 8.425 18.435 -1.088 641 HZ3 LYS 78 2HZ LYS 78 7.974 18.050 -2.669 642 H GLU 79 H GLU 79 4.981 11.740 -1.340 643 HA GLU 79 HA GLU 79 7.727 11.833 -2.298 644 HB2 GLU 79 2HB GLU 79 6.424 9.899 -0.335 645 HB3 GLU 79 1HB GLU 79 8.149 10.052 -0.656 646 HG2 GLU 79 2HG GLU 79 6.336 12.050 0.696 647 HG3 GLU 79 1HG GLU 79 7.706 11.183 1.386 648 H ARG 80 H ARG 80 8.533 10.593 -3.796 649 HA ARG 80 HA ARG 80 6.778 8.703 -5.224 650 HB2 ARG 80 2HB ARG 80 9.380 10.069 -6.071 651 HB3 ARG 80 1HB ARG 80 8.624 8.785 -7.006 652 HG2 ARG 80 2HG ARG 80 7.923 10.755 -8.066 653 HG3 ARG 80 1HG ARG 80 6.537 10.264 -7.105 654 HD2 ARG 80 2HD ARG 80 7.067 11.938 -5.406 655 HD3 ARG 80 1HD ARG 80 8.546 12.386 -6.264 656 HE ARG 80 HE ARG 80 5.962 12.692 -7.638 657 HH11 ARG 80 1HH1 ARG 80 8.702 14.264 -6.061 658 HH12 ARG 80 2HH1 ARG 80 8.318 15.830 -6.700 659 HH21 ARG 80 1HH2 ARG 80 5.498 14.774 -8.475 660 HH22 ARG 80 2HH2 ARG 80 6.517 16.111 -8.054 661 HA PRO 81 HA PRO 81 9.216 5.238 -3.592 662 HB2 PRO 81 2HB PRO 81 7.994 3.645 -5.805 663 HB3 PRO 81 1HB PRO 81 7.813 3.447 -4.051 664 HG2 PRO 81 2HG PRO 81 5.790 4.339 -5.594 665 HG3 PRO 81 1HG PRO 81 6.019 4.910 -3.924 666 HD2 PRO 81 2HD PRO 81 6.777 6.282 -6.509 667 HD3 PRO 81 1HD PRO 81 6.016 6.954 -5.044 668 H ARG 82 H ARG 82 11.313 5.113 -4.058 669 HA ARG 82 HA ARG 82 12.313 5.048 -6.855 670 HB2 ARG 82 2HB ARG 82 12.650 7.283 -5.744 671 HB3 ARG 82 1HB ARG 82 13.566 6.496 -4.466 672 HG2 ARG 82 2HG ARG 82 15.315 5.869 -6.081 673 HG3 ARG 82 1HG ARG 82 14.372 6.570 -7.398 674 HD2 ARG 82 2HD ARG 82 14.546 8.803 -6.253 675 HD3 ARG 82 1HD ARG 82 15.611 8.059 -5.055 676 HE ARG 82 HE ARG 82 16.517 7.693 -7.761 677 HH11 ARG 82 1HH1 ARG 82 16.531 9.959 -5.051 678 HH12 ARG 82 2HH1 ARG 82 17.974 10.771 -5.579 679 HH21 ARG 82 1HH2 ARG 82 18.420 8.791 -8.454 680 HH22 ARG 82 2HH2 ARG 82 19.037 10.107 -7.503 681 H LEU 83 H LEU 83 14.552 3.991 -6.977 682 HA LEU 83 HA LEU 83 14.535 1.434 -5.831 683 HB2 LEU 83 2HB LEU 83 15.739 2.013 -7.922 684 HB3 LEU 83 1HB LEU 83 16.892 2.961 -6.999 685 HG LEU 83 HG LEU 83 17.634 0.850 -5.830 686 HD11 LEU 83 1HD1 LEU 83 15.872 -0.572 -7.848 687 HD12 LEU 83 2HD1 LEU 83 15.609 -0.495 -6.102 688 HD13 LEU 83 3HD1 LEU 83 17.019 -1.335 -6.741 689 HD21 LEU 83 3HD2 LEU 83 17.911 0.803 -8.851 690 HD22 LEU 83 1HD2 LEU 83 18.960 -0.025 -7.698 691 HD23 LEU 83 2HD2 LEU 83 18.908 1.736 -7.731 692 H GLY 84 H GLY 84 14.753 0.939 -3.731 693 HA2 GLY 84 2HA GLY 84 15.866 0.633 -1.695 694 HA3 GLY 84 1HA GLY 84 17.038 1.863 -2.147 695 H LYS 85 H LYS 85 13.949 2.984 -2.668 696 HA LYS 85 HA LYS 85 13.660 4.294 -0.037 697 HB2 LYS 85 2HB LYS 85 14.740 5.858 -1.612 698 HB3 LYS 85 1HB LYS 85 13.495 5.563 -2.822 699 HG2 LYS 85 2HG LYS 85 11.818 6.659 -1.386 700 HG3 LYS 85 1HG LYS 85 13.042 6.908 -0.133 701 HD2 LYS 85 2HD LYS 85 14.341 8.365 -1.647 702 HD3 LYS 85 1HD LYS 85 13.184 8.077 -2.950 703 HE2 LYS 85 2HE LYS 85 12.511 9.421 -0.315 704 HE3 LYS 85 1HE LYS 85 12.884 10.267 -1.817 705 HZ1 LYS 85 3HZ LYS 85 10.490 10.039 -1.394 706 HZ2 LYS 85 1HZ LYS 85 10.639 8.359 -1.485 707 HZ3 LYS 85 2HZ LYS 85 10.963 9.309 -2.843 708 H ALA 86 H ALA 86 11.837 3.188 0.682 709 HA ALA 86 HA ALA 86 9.507 2.789 -1.061 710 HB1 ALA 86 3HB ALA 86 10.201 0.966 0.456 711 HB2 ALA 86 1HB ALA 86 8.574 1.529 0.838 712 HB3 ALA 86 2HB ALA 86 9.938 2.014 1.853 713 H VAL 87 H VAL 87 7.384 3.539 -0.450 714 HA VAL 87 HA VAL 87 7.287 6.033 1.139 715 HB VAL 87 HB VAL 87 5.148 4.804 -0.687 716 HG11 VAL 87 1HG1 VAL 87 4.131 6.208 1.048 717 HG12 VAL 87 2HG1 VAL 87 3.991 6.980 -0.532 718 HG13 VAL 87 3HG1 VAL 87 5.201 7.547 0.622 719 HG21 VAL 87 3HG2 VAL 87 7.014 7.132 -1.248 720 HG22 VAL 87 1HG2 VAL 87 5.718 6.570 -2.307 721 HG23 VAL 87 2HG2 VAL 87 7.105 5.529 -1.980 722 H SER 88 H SER 88 7.353 5.211 3.219 723 HA SER 88 HA SER 88 5.852 2.879 4.037 724 HB2 SER 88 2HB SER 88 8.149 3.310 4.901 725 HB3 SER 88 1HB SER 88 7.578 4.775 5.700 726 HG SER 88 HG SER 88 6.741 3.595 7.235 727 H ILE 89 H ILE 89 3.738 3.204 4.172 728 HA ILE 89 HA ILE 89 2.477 5.650 5.060 729 HB ILE 89 HB ILE 89 1.268 2.928 4.386 730 HG12 ILE 89 2HG1 ILE 89 1.502 5.407 2.623 731 HG13 ILE 89 1HG1 ILE 89 2.536 3.994 2.499 732 HG21 ILE 89 1HG2 ILE 89 -0.257 4.263 5.786 733 HG22 ILE 89 2HG2 ILE 89 -0.890 4.115 4.147 734 HG23 ILE 89 3HG2 ILE 89 -0.125 5.618 4.664 735 HD11 ILE 89 3HD1 ILE 89 -0.425 4.067 2.005 736 HD12 ILE 89 1HD1 ILE 89 0.617 2.646 1.884 737 HD13 ILE 89 2HD1 ILE 89 0.857 4.015 0.796 738 HA PRO 90 HA PRO 90 2.445 4.032 9.347 739 HB2 PRO 90 2HB PRO 90 1.599 6.342 10.575 740 HB3 PRO 90 1HB PRO 90 3.277 6.092 10.055 741 HG2 PRO 90 2HG PRO 90 1.115 7.670 8.728 742 HG3 PRO 90 1HG PRO 90 2.847 8.037 8.888 743 HD2 PRO 90 2HD PRO 90 1.711 6.998 6.599 744 HD3 PRO 90 1HD PRO 90 3.416 6.782 7.044 745 H LEU 91 H LEU 91 0.799 2.594 9.526 746 HA LEU 91 HA LEU 91 -1.991 3.425 9.355 747 HB2 LEU 91 2HB LEU 91 -0.820 0.735 10.170 748 HB3 LEU 91 1HB LEU 91 -2.519 1.066 9.868 749 HG LEU 91 HG LEU 91 -0.268 1.022 7.819 750 HD11 LEU 91 1HD1 LEU 91 -1.056 -1.187 8.469 751 HD12 LEU 91 2HD1 LEU 91 -1.541 -0.827 6.814 752 HD13 LEU 91 3HD1 LEU 91 -2.725 -0.727 8.122 753 HD21 LEU 91 3HD2 LEU 91 -3.161 1.816 7.370 754 HD22 LEU 91 1HD2 LEU 91 -1.965 1.523 6.103 755 HD23 LEU 91 2HD2 LEU 91 -1.742 2.859 7.226 756 H ASP 92 H ASP 92 -2.293 4.861 10.939 757 HA ASP 92 HA ASP 92 -1.217 4.702 13.571 758 HB2 ASP 92 2HB ASP 92 -1.715 6.875 12.556 759 HB3 ASP 92 1HB ASP 92 -3.417 6.463 12.416 760 H LEU 93 H LEU 93 -1.788 2.693 14.337 761 HA LEU 93 HA LEU 93 -4.597 2.295 15.219 762 HB2 LEU 93 2HB LEU 93 -2.605 0.134 14.402 763 HB3 LEU 93 1HB LEU 93 -4.227 -0.154 15.002 764 HG LEU 93 HG LEU 93 -3.506 1.129 12.334 765 HD11 LEU 93 1HD1 LEU 93 -4.750 -1.581 12.910 766 HD12 LEU 93 2HD1 LEU 93 -3.091 -1.286 12.376 767 HD13 LEU 93 3HD1 LEU 93 -4.439 -0.886 11.316 768 HD21 LEU 93 3HD2 LEU 93 -6.265 0.535 13.456 769 HD22 LEU 93 1HD2 LEU 93 -5.913 1.074 11.811 770 HD23 LEU 93 2HD2 LEU 93 -5.565 2.132 13.176 771 H GLY 94 H GLY 94 -2.893 3.756 16.749 772 HA2 GLY 94 2HA GLY 94 -1.787 2.138 18.896 773 HA3 GLY 94 1HA GLY 94 -1.998 3.885 18.882 774 H GLU 95 H GLU 95 -4.354 4.584 18.860 775 HA GLU 95 HA GLU 95 -5.836 3.208 20.984 776 HB2 GLU 95 2HB GLU 95 -6.406 5.897 19.654 777 HB3 GLU 95 1HB GLU 95 -7.180 5.263 21.106 778 HG2 GLU 95 2HG GLU 95 -5.020 5.350 22.308 779 HG3 GLU 95 1HG GLU 95 -4.236 5.964 20.854 780 H ARG 96 H ARG 96 -6.030 3.933 17.543 781 HA ARG 96 HA ARG 96 -8.630 2.844 17.066 782 HB2 ARG 96 2HB ARG 96 -6.287 3.501 15.272 783 HB3 ARG 96 1HB ARG 96 -7.640 2.576 14.636 784 HG2 ARG 96 2HG ARG 96 -7.971 4.860 14.027 785 HG3 ARG 96 1HG ARG 96 -9.168 4.464 15.253 786 HD2 ARG 96 2HD ARG 96 -7.867 5.664 16.943 787 HD3 ARG 96 1HD ARG 96 -6.582 5.975 15.771 788 HE ARG 96 HE ARG 96 -9.312 7.011 15.332 789 HH11 ARG 96 1HH1 ARG 96 -5.882 7.681 15.829 790 HH12 ARG 96 2HH1 ARG 96 -6.043 9.361 15.419 791 HH21 ARG 96 1HH2 ARG 96 -9.491 9.197 14.791 792 HH22 ARG 96 2HH2 ARG 96 -8.087 10.218 14.832 793 H ALA 97 H ALA 97 -5.730 1.342 17.996 794 HA ALA 97 HA ALA 97 -5.835 -1.195 16.841 795 HB1 ALA 97 3HB ALA 97 -4.025 -0.475 18.338 796 HB2 ALA 97 1HB ALA 97 -4.697 -2.016 18.864 797 HB3 ALA 97 2HB ALA 97 -5.116 -0.526 19.719 798 H SER 98 H SER 98 -8.135 0.279 18.929 799 HA SER 98 HA SER 98 -9.302 -1.949 20.167 800 HB2 SER 98 2HB SER 98 -10.642 0.679 19.406 801 HB3 SER 98 1HB SER 98 -11.151 -0.421 20.684 802 HG SER 98 HG SER 98 -9.458 1.594 20.864 803 H GLU 99 H GLU 99 -9.419 -1.062 16.865 804 HA GLU 99 HA GLU 99 -11.873 -2.176 16.027 805 HB2 GLU 99 2HB GLU 99 -9.190 -2.044 14.578 806 HB3 GLU 99 1HB GLU 99 -10.701 -2.515 13.810 807 HG2 GLU 99 2HG GLU 99 -10.106 0.192 15.027 808 HG3 GLU 99 1HG GLU 99 -10.098 -0.187 13.307 809 H TRP 100 H TRP 100 -8.671 -3.649 16.549 810 HA TRP 100 HA TRP 100 -9.770 -6.333 15.982 811 HB2 TRP 100 2HB TRP 100 -7.377 -7.028 15.632 812 HB3 TRP 100 1HB TRP 100 -7.990 -5.860 14.472 813 HD1 TRP 100 HD1 TRP 100 -7.181 -3.158 15.099 814 HE1 TRP 100 HE1 TRP 100 -4.809 -2.403 15.748 815 HE3 TRP 100 HE3 TRP 100 -5.336 -7.620 16.766 816 HZ2 TRP 100 HZ2 TRP 100 -2.476 -3.538 16.837 817 HZ3 TRP 100 HZ3 TRP 100 -3.019 -7.707 17.600 818 HH2 TRP 100 HH2 TRP 100 -1.614 -5.703 17.636 819 H ILE 101 H ILE 101 -8.448 -4.420 18.583 820 HA ILE 101 HA ILE 101 -8.310 -6.694 20.399 821 HB ILE 101 HB ILE 101 -8.044 -3.688 20.860 822 HG12 ILE 101 2HG1 ILE 101 -5.868 -4.407 21.971 823 HG13 ILE 101 1HG1 ILE 101 -6.210 -6.058 21.474 824 HG21 ILE 101 1HG2 ILE 101 -7.833 -4.052 23.309 825 HG22 ILE 101 2HG2 ILE 101 -8.327 -5.734 23.104 826 HG23 ILE 101 3HG2 ILE 101 -9.456 -4.430 22.731 827 HD11 ILE 101 3HD1 ILE 101 -6.044 -5.393 19.135 828 HD12 ILE 101 1HD1 ILE 101 -4.583 -4.969 20.027 829 HD13 ILE 101 2HD1 ILE 101 -5.760 -3.718 19.621 830 H ILE 102 H ILE 102 -10.228 -7.712 20.373 831 HA ILE 102 HA ILE 102 -12.671 -6.238 21.199 832 HB ILE 102 HB ILE 102 -12.514 -8.848 19.600 833 HG12 ILE 102 2HG1 ILE 102 -11.836 -6.912 18.217 834 HG13 ILE 102 1HG1 ILE 102 -13.391 -7.530 17.677 835 HG21 ILE 102 1HG2 ILE 102 -14.978 -8.610 19.340 836 HG22 ILE 102 2HG2 ILE 102 -14.958 -7.222 20.430 837 HG23 ILE 102 3HG2 ILE 102 -14.503 -8.820 21.025 838 HD11 ILE 102 3HD1 ILE 102 -13.350 -5.114 17.643 839 HD12 ILE 102 1HD1 ILE 102 -12.928 -5.063 19.354 840 HD13 ILE 102 2HD1 ILE 102 -14.508 -5.672 18.850 841 H LEU 103 H LEU 103 -12.135 -6.415 23.379 842 HA LEU 103 HA LEU 103 -12.325 -9.107 24.593 843 HB2 LEU 103 2HB LEU 103 -11.456 -6.458 25.837 844 HB3 LEU 103 1HB LEU 103 -11.550 -7.992 26.687 845 HG LEU 103 HG LEU 103 -9.621 -7.294 24.435 846 HD11 LEU 103 1HD1 LEU 103 -7.866 -7.565 26.129 847 HD12 LEU 103 2HD1 LEU 103 -9.087 -7.874 27.366 848 HD13 LEU 103 3HD1 LEU 103 -9.006 -6.296 26.580 849 HD21 LEU 103 3HD2 LEU 103 -8.623 -9.519 24.744 850 HD22 LEU 103 1HD2 LEU 103 -10.301 -9.640 24.212 851 HD23 LEU 103 2HD2 LEU 103 -9.888 -9.940 25.902 852 H GLU 104 H GLU 104 -14.523 -8.649 23.538 853 HA GLU 104 HA GLU 104 -16.448 -6.974 24.717 854 HB2 GLU 104 2HB GLU 104 -18.130 -8.486 23.560 855 HB3 GLU 104 1HB GLU 104 -16.883 -7.821 22.516 856 HG2 GLU 104 2HG GLU 104 -15.697 -9.928 22.447 857 HG3 GLU 104 1HG GLU 104 -16.747 -10.618 23.678 Start of MODEL 20 1 H1 MET 1 1H MET 1 -12.535 1.223 1.490 2 H2 MET 1 2H MET 1 -11.891 -0.245 2.023 3 H3 MET 1 3H MET 1 -13.188 -0.236 0.939 4 HA MET 1 HA MET 1 -11.852 0.725 -0.756 5 HB2 MET 1 2HB MET 1 -10.337 2.067 0.676 6 HB3 MET 1 1HB MET 1 -9.617 0.600 1.323 7 HG2 MET 1 2HG MET 1 -8.647 0.072 -0.867 8 HG3 MET 1 1HG MET 1 -9.442 1.470 -1.579 9 HE1 MET 1 3HE MET 1 -5.961 1.763 1.451 10 HE2 MET 1 1HE MET 1 -6.588 0.232 0.838 11 HE3 MET 1 2HE MET 1 -7.570 1.220 1.922 12 H THR 2 H THR 2 -12.172 -1.125 -1.927 13 HA THR 2 HA THR 2 -10.992 -3.699 -1.263 14 HB THR 2 HB THR 2 -13.158 -3.576 -2.454 15 HG1 THR 2 HG1 THR 2 -11.717 -5.361 -2.793 16 HG21 THR 2 3HG2 THR 2 -12.835 -1.542 -3.807 17 HG22 THR 2 1HG2 THR 2 -13.320 -2.900 -4.827 18 HG23 THR 2 2HG2 THR 2 -11.633 -2.382 -4.788 19 H GLY 3 H GLY 3 -9.661 -4.778 -3.144 20 HA2 GLY 3 2HA GLY 3 -7.200 -3.474 -3.530 21 HA3 GLY 3 1HA GLY 3 -7.739 -4.915 -4.365 22 H GLN 4 H GLN 4 -10.130 -3.344 -5.414 23 HA GLN 4 HA GLN 4 -8.994 -2.409 -7.885 24 HB2 GLN 4 2HB GLN 4 -11.273 -3.426 -7.708 25 HB3 GLN 4 1HB GLN 4 -11.818 -2.040 -6.774 26 HG2 GLN 4 2HG GLN 4 -11.383 -0.579 -8.730 27 HG3 GLN 4 1HG GLN 4 -10.891 -1.995 -9.657 28 HE21 GLN 4 1HE2 GLN 4 -12.502 -3.517 -10.284 29 HE22 GLN 4 2HE2 GLN 4 -14.176 -3.096 -10.267 30 H GLU 5 H GLU 5 -10.353 -0.815 -4.992 31 HA GLU 5 HA GLU 5 -10.078 1.866 -5.965 32 HB2 GLU 5 2HB GLU 5 -10.337 0.910 -3.084 33 HB3 GLU 5 1HB GLU 5 -10.588 2.558 -3.656 34 HG2 GLU 5 2HG GLU 5 -12.277 0.137 -4.311 35 HG3 GLU 5 1HG GLU 5 -12.711 1.448 -3.223 36 H LEU 6 H LEU 6 -8.091 -0.285 -3.935 37 HA LEU 6 HA LEU 6 -6.059 1.566 -3.244 38 HB2 LEU 6 2HB LEU 6 -6.387 -0.612 -2.088 39 HB3 LEU 6 1HB LEU 6 -5.881 -1.463 -3.538 40 HG LEU 6 HG LEU 6 -3.591 -0.467 -3.319 41 HD11 LEU 6 1HD1 LEU 6 -2.939 0.718 -1.259 42 HD12 LEU 6 2HD1 LEU 6 -4.622 0.724 -0.725 43 HD13 LEU 6 3HD1 LEU 6 -4.148 1.619 -2.172 44 HD21 LEU 6 3HD2 LEU 6 -4.518 -1.917 -0.822 45 HD22 LEU 6 1HD2 LEU 6 -2.847 -1.755 -1.376 46 HD23 LEU 6 2HD2 LEU 6 -4.006 -2.668 -2.339 47 H ARG 7 H ARG 7 -6.497 -0.607 -5.998 48 HA ARG 7 HA ARG 7 -4.115 -0.219 -7.415 49 HB2 ARG 7 2HB ARG 7 -5.836 -1.927 -7.983 50 HB3 ARG 7 1HB ARG 7 -6.949 -0.656 -8.473 51 HG2 ARG 7 2HG ARG 7 -5.381 -0.043 -10.319 52 HG3 ARG 7 1HG ARG 7 -4.328 -1.374 -9.827 53 HD2 ARG 7 2HD ARG 7 -6.158 -2.980 -10.284 54 HD3 ARG 7 1HD ARG 7 -7.199 -1.643 -10.786 55 HE ARG 7 HE ARG 7 -4.772 -1.667 -12.273 56 HH11 ARG 7 1HH1 ARG 7 -7.868 -3.352 -12.086 57 HH12 ARG 7 2HH1 ARG 7 -7.840 -3.824 -13.755 58 HH21 ARG 7 1HH2 ARG 7 -4.752 -2.282 -14.443 59 HH22 ARG 7 2HH2 ARG 7 -6.062 -3.212 -15.102 60 H GLN 8 H GLN 8 -7.225 1.499 -7.665 61 HA GLN 8 HA GLN 8 -6.441 3.428 -9.577 62 HB2 GLN 8 2HB GLN 8 -8.726 3.419 -7.565 63 HB3 GLN 8 1HB GLN 8 -8.552 4.618 -8.842 64 HG2 GLN 8 2HG GLN 8 -8.987 1.640 -9.219 65 HG3 GLN 8 1HG GLN 8 -10.180 2.910 -9.467 66 HE21 GLN 8 1HE2 GLN 8 -8.348 4.735 -10.823 67 HE22 GLN 8 2HE2 GLN 8 -8.041 4.057 -12.379 68 H LEU 9 H LEU 9 -6.059 3.295 -6.101 69 HA LEU 9 HA LEU 9 -5.692 6.067 -5.565 70 HB2 LEU 9 2HB LEU 9 -6.175 4.308 -3.844 71 HB3 LEU 9 1HB LEU 9 -4.565 3.656 -4.082 72 HG LEU 9 HG LEU 9 -3.583 5.790 -3.208 73 HD11 LEU 9 1HD1 LEU 9 -6.458 6.593 -2.650 74 HD12 LEU 9 2HD1 LEU 9 -5.367 7.360 -3.808 75 HD13 LEU 9 3HD1 LEU 9 -5.018 7.446 -2.082 76 HD21 LEU 9 3HD2 LEU 9 -4.169 5.449 -0.858 77 HD22 LEU 9 1HD2 LEU 9 -3.954 3.906 -1.683 78 HD23 LEU 9 2HD2 LEU 9 -5.582 4.499 -1.330 79 H LEU 10 H LEU 10 -3.515 3.449 -6.532 80 HA LEU 10 HA LEU 10 -1.080 5.003 -6.356 81 HB2 LEU 10 2HB LEU 10 -1.457 2.356 -7.813 82 HB3 LEU 10 1HB LEU 10 0.037 3.018 -7.162 83 HG LEU 10 HG LEU 10 -2.312 1.971 -5.526 84 HD11 LEU 10 1HD1 LEU 10 0.442 0.784 -5.927 85 HD12 LEU 10 2HD1 LEU 10 -1.071 0.173 -6.605 86 HD13 LEU 10 3HD1 LEU 10 -0.823 0.157 -4.861 87 HD21 LEU 10 3HD2 LEU 10 -1.192 3.818 -4.346 88 HD22 LEU 10 1HD2 LEU 10 0.364 2.999 -4.525 89 HD23 LEU 10 2HD2 LEU 10 -0.914 2.276 -3.542 90 H LEU 11 H LEU 11 -3.359 4.020 -8.873 91 HA LEU 11 HA LEU 11 -1.874 4.922 -11.145 92 HB2 LEU 11 2HB LEU 11 -4.829 4.332 -10.755 93 HB3 LEU 11 1HB LEU 11 -4.107 4.688 -12.321 94 HG LEU 11 HG LEU 11 -3.378 2.298 -10.576 95 HD11 LEU 11 1HD1 LEU 11 -5.046 2.398 -13.102 96 HD12 LEU 11 2HD1 LEU 11 -5.649 2.105 -11.468 97 HD13 LEU 11 3HD1 LEU 11 -4.562 0.943 -12.223 98 HD21 LEU 11 3HD2 LEU 11 -2.510 2.991 -13.408 99 HD22 LEU 11 1HD2 LEU 11 -2.122 1.503 -12.538 100 HD23 LEU 11 2HD2 LEU 11 -1.488 3.043 -11.967 101 H ASP 12 H ASP 12 -4.189 6.440 -9.007 102 HA ASP 12 HA ASP 12 -4.609 8.846 -10.535 103 HB2 ASP 12 2HB ASP 12 -6.319 8.043 -8.921 104 HB3 ASP 12 1HB ASP 12 -5.176 8.215 -7.596 105 H LYS 13 H LYS 13 -2.457 7.795 -7.935 106 HA LYS 13 HA LYS 13 -1.506 10.460 -7.326 107 HB2 LYS 13 2HB LYS 13 -1.733 8.645 -5.588 108 HB3 LYS 13 1HB LYS 13 -0.407 7.787 -6.365 109 HG2 LYS 13 2HG LYS 13 0.438 8.989 -4.437 110 HG3 LYS 13 1HG LYS 13 1.092 9.718 -5.910 111 HD2 LYS 13 2HD LYS 13 -0.727 11.475 -5.757 112 HD3 LYS 13 1HD LYS 13 -1.196 10.779 -4.202 113 HE2 LYS 13 2HE LYS 13 1.116 11.266 -3.360 114 HE3 LYS 13 1HE LYS 13 1.459 12.075 -4.898 115 HZ1 LYS 13 3HZ LYS 13 -0.654 12.818 -2.955 116 HZ2 LYS 13 1HZ LYS 13 -0.397 13.574 -4.447 117 HZ3 LYS 13 2HZ LYS 13 0.782 13.665 -3.239 118 H TRP 14 H TRP 14 0.166 7.502 -8.395 119 HA TRP 14 HA TRP 14 2.413 9.140 -9.401 120 HB2 TRP 14 2HB TRP 14 2.305 6.218 -8.544 121 HB3 TRP 14 1HB TRP 14 3.745 7.074 -9.076 122 HD1 TRP 14 HD1 TRP 14 4.055 9.522 -7.442 123 HE1 TRP 14 HE1 TRP 14 4.160 9.556 -4.872 124 HE3 TRP 14 HE3 TRP 14 1.759 5.065 -6.458 125 HZ2 TRP 14 HZ2 TRP 14 3.387 7.946 -2.718 126 HZ3 TRP 14 HZ3 TRP 14 1.482 4.386 -4.102 127 HH2 TRP 14 HH2 TRP 14 2.279 5.799 -2.268 128 H GLY 15 H GLY 15 -0.241 7.431 -10.565 129 HA2 GLY 15 2HA GLY 15 -0.888 7.045 -12.751 130 HA3 GLY 15 1HA GLY 15 0.685 7.595 -13.297 131 H TYR 16 H TYR 16 0.916 5.135 -10.967 132 HA TYR 16 HA TYR 16 1.204 2.964 -12.914 133 HB2 TYR 16 2HB TYR 16 3.482 4.070 -11.209 134 HB3 TYR 16 1HB TYR 16 3.514 2.448 -11.890 135 HD1 TYR 16 HD1 TYR 16 3.335 2.216 -14.440 136 HD2 TYR 16 HD2 TYR 16 4.262 5.932 -12.546 137 HE1 TYR 16 HE1 TYR 16 4.259 3.061 -16.541 138 HE2 TYR 16 HE2 TYR 16 5.199 6.777 -14.672 139 HH TYR 16 HH TYR 16 4.749 5.122 -17.656 140 H SER 17 H SER 17 1.067 0.928 -11.995 141 HA SER 17 HA SER 17 -0.219 0.802 -9.382 142 HB2 SER 17 2HB SER 17 -0.723 -1.580 -10.179 143 HB3 SER 17 1HB SER 17 -1.405 -0.293 -11.173 144 HG SER 17 HG SER 17 -0.438 -1.767 -12.533 145 H TYR 18 H TYR 18 1.506 0.981 -7.912 146 HA TYR 18 HA TYR 18 3.927 -0.619 -8.160 147 HB2 TYR 18 2HB TYR 18 3.014 1.381 -6.046 148 HB3 TYR 18 1HB TYR 18 4.562 0.545 -5.992 149 HD1 TYR 18 HD1 TYR 18 6.352 1.104 -7.559 150 HD2 TYR 18 HD2 TYR 18 2.624 3.178 -7.703 151 HE1 TYR 18 HE1 TYR 18 7.379 2.843 -8.945 152 HE2 TYR 18 HE2 TYR 18 3.657 4.900 -9.100 153 HH TYR 18 HH TYR 18 5.855 5.821 -9.579 154 H ASP 19 H ASP 19 4.632 -2.181 -6.684 155 HA ASP 19 HA ASP 19 2.716 -3.766 -5.272 156 HB2 ASP 19 2HB ASP 19 4.752 -4.846 -6.138 157 HB3 ASP 19 1HB ASP 19 5.770 -3.767 -5.187 158 H VAL 20 H VAL 20 2.171 -3.694 -3.164 159 HA VAL 20 HA VAL 20 3.544 -1.814 -1.323 160 HB VAL 20 HB VAL 20 1.263 -1.568 -0.171 161 HG11 VAL 20 1HG1 VAL 20 1.448 -0.455 -2.994 162 HG12 VAL 20 2HG1 VAL 20 2.180 0.245 -1.550 163 HG13 VAL 20 3HG1 VAL 20 0.423 0.174 -1.696 164 HG21 VAL 20 3HG2 VAL 20 -0.797 -1.996 -1.494 165 HG22 VAL 20 1HG2 VAL 20 0.076 -3.494 -1.164 166 HG23 VAL 20 2HG2 VAL 20 0.170 -2.755 -2.764 167 H GLN 21 H GLN 21 4.330 -2.793 0.459 168 HA GLN 21 HA GLN 21 3.404 -5.514 1.187 169 HB2 GLN 21 2HB GLN 21 5.565 -5.675 -0.043 170 HB3 GLN 21 1HB GLN 21 6.303 -4.532 1.082 171 HG2 GLN 21 2HG GLN 21 5.828 -6.199 2.940 172 HG3 GLN 21 1HG GLN 21 5.299 -7.328 1.694 173 HE21 GLN 21 1HE2 GLN 21 8.065 -5.680 3.086 174 HE22 GLN 21 2HE2 GLN 21 9.268 -6.647 2.311 175 H PHE 22 H PHE 22 2.977 -5.767 3.292 176 HA PHE 22 HA PHE 22 3.114 -3.693 5.225 177 HB2 PHE 22 2HB PHE 22 2.584 -6.687 5.441 178 HB3 PHE 22 1HB PHE 22 2.501 -5.614 6.832 179 HD1 PHE 22 HD1 PHE 22 0.910 -3.534 6.612 180 HD2 PHE 22 HD2 PHE 22 0.637 -7.008 4.118 181 HE1 PHE 22 HE1 PHE 22 -1.430 -2.984 6.095 182 HE2 PHE 22 HE2 PHE 22 -1.688 -6.439 3.615 183 HZ PHE 22 HZ PHE 22 -2.726 -4.434 4.594 184 H ARG 23 H ARG 23 4.508 -3.368 6.913 185 HA ARG 23 HA ARG 23 6.945 -5.013 7.133 186 HB2 ARG 23 2HB ARG 23 7.432 -2.870 5.887 187 HB3 ARG 23 1HB ARG 23 6.892 -1.968 7.298 188 HG2 ARG 23 2HG ARG 23 9.264 -2.026 7.443 189 HG3 ARG 23 1HG ARG 23 8.704 -3.179 8.637 190 HD2 ARG 23 2HD ARG 23 10.583 -4.150 7.464 191 HD3 ARG 23 1HD ARG 23 9.124 -5.016 6.951 192 HE ARG 23 HE ARG 23 9.946 -2.765 5.294 193 HH11 ARG 23 1HH1 ARG 23 10.130 -6.249 5.686 194 HH12 ARG 23 2HH1 ARG 23 10.532 -6.530 4.029 195 HH21 ARG 23 1HH2 ARG 23 10.444 -3.140 3.133 196 HH22 ARG 23 2HH2 ARG 23 10.722 -4.756 2.568 197 H ARG 24 H ARG 24 6.648 -5.957 9.042 198 HA ARG 24 HA ARG 24 5.524 -4.459 11.315 199 HB2 ARG 24 2HB ARG 24 5.992 -7.438 10.871 200 HB3 ARG 24 1HB ARG 24 5.611 -6.776 12.460 201 HG2 ARG 24 2HG ARG 24 3.476 -5.893 11.599 202 HG3 ARG 24 1HG ARG 24 3.852 -6.521 9.993 203 HD2 ARG 24 2HD ARG 24 3.541 -8.239 12.481 204 HD3 ARG 24 1HD ARG 24 2.254 -7.948 11.304 205 HE ARG 24 HE ARG 24 4.490 -8.900 9.922 206 HH11 ARG 24 1HH1 ARG 24 2.207 -10.148 12.284 207 HH12 ARG 24 2HH1 ARG 24 2.368 -11.782 11.738 208 HH21 ARG 24 1HH2 ARG 24 4.649 -11.033 9.198 209 HH22 ARG 24 2HH2 ARG 24 3.750 -12.288 9.990 210 H THR 25 H THR 25 7.083 -3.196 12.059 211 HA THR 25 HA THR 25 9.563 -4.354 13.098 212 HB THR 25 HB THR 25 10.226 -3.576 10.851 213 HG1 THR 25 HG1 THR 25 12.006 -2.997 11.786 214 HG21 THR 25 3HG2 THR 25 8.539 -1.838 10.437 215 HG22 THR 25 1HG2 THR 25 10.163 -1.183 10.226 216 HG23 THR 25 2HG2 THR 25 9.248 -0.820 11.694 217 H GLN 26 H GLN 26 10.300 -3.345 14.873 218 HA GLN 26 HA GLN 26 10.348 -2.225 16.815 219 HB2 GLN 26 2HB GLN 26 8.894 0.060 15.407 220 HB3 GLN 26 1HB GLN 26 9.846 0.176 16.884 221 HG2 GLN 26 2HG GLN 26 10.835 -0.254 14.046 222 HG3 GLN 26 1HG GLN 26 11.149 1.111 15.113 223 HE21 GLN 26 1HE2 GLN 26 12.051 -2.127 14.264 224 HE22 GLN 26 2HE2 GLN 26 13.479 -2.213 15.231 225 H GLY 27 H GLY 27 8.008 -3.901 15.983 226 HA2 GLY 27 2HA GLY 27 6.113 -4.688 17.047 227 HA3 GLY 27 1HA GLY 27 6.203 -3.357 18.185 228 H LYS 28 H LYS 28 6.389 -2.055 15.156 229 HA LYS 28 HA LYS 28 3.527 -1.300 15.127 230 HB2 LYS 28 2HB LYS 28 5.968 0.085 13.938 231 HB3 LYS 28 1HB LYS 28 4.323 0.724 13.957 232 HG2 LYS 28 2HG LYS 28 4.364 0.978 16.351 233 HG3 LYS 28 1HG LYS 28 5.891 0.091 16.478 234 HD2 LYS 28 2HD LYS 28 7.048 1.883 15.244 235 HD3 LYS 28 1HD LYS 28 5.529 2.772 15.076 236 HE2 LYS 28 2HE LYS 28 5.419 2.948 17.571 237 HE3 LYS 28 1HE LYS 28 6.998 2.163 17.666 238 HZ1 LYS 28 3HZ LYS 28 7.199 4.553 17.814 239 HZ2 LYS 28 1HZ LYS 28 6.425 4.754 16.322 240 HZ3 LYS 28 2HZ LYS 28 7.932 3.994 16.398 241 H ILE 29 H ILE 29 2.977 -0.503 12.727 242 HA ILE 29 HA ILE 29 3.888 -2.470 10.740 243 HB ILE 29 HB ILE 29 1.809 -3.377 11.634 244 HG12 ILE 29 2HG1 ILE 29 0.460 -3.578 9.561 245 HG13 ILE 29 1HG1 ILE 29 1.302 -2.195 8.865 246 HG21 ILE 29 1HG2 ILE 29 0.461 -0.756 10.924 247 HG22 ILE 29 2HG2 ILE 29 0.774 -1.366 12.550 248 HG23 ILE 29 3HG2 ILE 29 -0.359 -2.214 11.495 249 HD11 ILE 29 3HD1 ILE 29 3.392 -3.466 8.908 250 HD12 ILE 29 1HD1 ILE 29 2.133 -4.280 7.987 251 HD13 ILE 29 2HD1 ILE 29 2.533 -4.843 9.607 252 H PHE 30 H PHE 30 4.357 -1.629 8.848 253 HA PHE 30 HA PHE 30 3.467 1.077 8.047 254 HB2 PHE 30 2HB PHE 30 6.289 -0.071 7.700 255 HB3 PHE 30 1HB PHE 30 5.742 1.508 7.151 256 HD1 PHE 30 HD2 PHE 30 6.605 -0.507 10.143 257 HD2 PHE 30 HD1 PHE 30 5.597 3.398 8.694 258 HE1 PHE 30 HE2 PHE 30 7.270 0.468 12.298 259 HE2 PHE 30 HE1 PHE 30 6.268 4.360 10.864 260 HZ PHE 30 HZ PHE 30 7.102 2.898 12.662 261 H LEU 31 H LEU 31 2.493 0.952 6.057 262 HA LEU 31 HA LEU 31 2.937 -1.391 4.358 263 HB2 LEU 31 2HB LEU 31 0.609 -0.538 4.718 264 HB3 LEU 31 1HB LEU 31 1.063 0.977 3.952 265 HG LEU 31 HG LEU 31 1.527 -0.284 1.809 266 HD11 LEU 31 1HD1 LEU 31 0.727 -2.605 1.582 267 HD12 LEU 31 2HD1 LEU 31 0.352 -2.647 3.308 268 HD13 LEU 31 3HD1 LEU 31 2.024 -2.483 2.770 269 HD21 LEU 31 3HD2 LEU 31 -0.634 0.827 2.128 270 HD22 LEU 31 1HD2 LEU 31 -1.282 -0.626 2.894 271 HD23 LEU 31 2HD2 LEU 31 -0.816 -0.655 1.190 272 H GLN 32 H GLN 32 4.904 -1.185 3.387 273 HA GLN 32 HA GLN 32 5.882 1.390 2.429 274 HB2 GLN 32 2HB GLN 32 7.217 -1.349 2.442 275 HB3 GLN 32 1HB GLN 32 8.004 0.181 2.044 276 HG2 GLN 32 2HG GLN 32 7.369 0.974 4.385 277 HG3 GLN 32 1HG GLN 32 6.890 -0.685 4.731 278 HE21 GLN 32 1HE2 GLN 32 8.976 1.000 5.940 279 HE22 GLN 32 2HE2 GLN 32 10.440 0.096 5.788 280 H VAL 33 H VAL 33 5.224 2.044 0.531 281 HA VAL 33 HA VAL 33 4.491 0.415 -1.706 282 HB VAL 33 HB VAL 33 5.182 3.395 -1.658 283 HG11 VAL 33 1HG1 VAL 33 3.822 3.543 -3.716 284 HG12 VAL 33 2HG1 VAL 33 3.569 1.797 -3.680 285 HG13 VAL 33 3HG1 VAL 33 5.190 2.448 -3.939 286 HG21 VAL 33 3HG2 VAL 33 2.465 2.078 -1.319 287 HG22 VAL 33 1HG2 VAL 33 2.756 3.816 -1.454 288 HG23 VAL 33 2HG2 VAL 33 3.370 2.921 -0.059 289 H MET 34 H MET 34 5.998 -0.704 -2.790 290 HA MET 34 HA MET 34 8.772 -0.132 -3.001 291 HB2 MET 34 2HB MET 34 6.982 -1.949 -4.682 292 HB3 MET 34 1HB MET 34 8.740 -1.936 -4.757 293 HG2 MET 34 2HG MET 34 7.190 -2.600 -2.244 294 HG3 MET 34 1HG MET 34 7.704 -3.804 -3.419 295 HE1 MET 34 3HE MET 34 10.292 -1.894 -0.173 296 HE2 MET 34 1HE MET 34 8.562 -2.238 -0.131 297 HE3 MET 34 2HE MET 34 9.169 -0.877 -1.078 298 H TRP 35 H TRP 35 9.905 0.300 -4.958 299 HA TRP 35 HA TRP 35 8.800 2.285 -6.758 300 HB2 TRP 35 2HB TRP 35 11.163 2.266 -7.703 301 HB3 TRP 35 1HB TRP 35 11.086 2.632 -5.983 302 HD1 TRP 35 HD1 TRP 35 12.482 0.056 -8.427 303 HE1 TRP 35 HE1 TRP 35 13.950 -1.624 -7.148 304 HE3 TRP 35 HE3 TRP 35 11.338 1.412 -3.595 305 HZ2 TRP 35 HZ2 TRP 35 14.539 -2.302 -4.482 306 HZ3 TRP 35 HZ3 TRP 35 12.401 0.177 -1.743 307 HH2 TRP 35 HH2 TRP 35 13.972 -1.647 -2.191 308 H LYS 36 H LYS 36 8.849 -1.057 -6.617 309 HA LYS 36 HA LYS 36 9.052 -1.662 -9.439 310 HB2 LYS 36 2HB LYS 36 8.169 -3.430 -7.110 311 HB3 LYS 36 1HB LYS 36 8.615 -3.980 -8.728 312 HG2 LYS 36 2HG LYS 36 10.931 -3.277 -8.388 313 HG3 LYS 36 1HG LYS 36 10.518 -2.566 -6.821 314 HD2 LYS 36 2HD LYS 36 9.958 -4.805 -5.940 315 HD3 LYS 36 1HD LYS 36 10.311 -5.528 -7.512 316 HE2 LYS 36 2HE LYS 36 12.669 -4.836 -7.297 317 HE3 LYS 36 1HE LYS 36 12.316 -4.094 -5.735 318 HZ1 LYS 36 3HZ LYS 36 11.710 -6.270 -4.890 319 HZ2 LYS 36 1HZ LYS 36 13.296 -6.276 -5.475 320 HZ3 LYS 36 2HZ LYS 36 12.051 -6.980 -6.379 321 H TYR 37 H TYR 37 7.372 -1.224 -10.745 322 HA TYR 37 HA TYR 37 4.598 -1.618 -9.764 323 HB2 TYR 37 2HB TYR 37 3.896 -0.063 -11.622 324 HB3 TYR 37 1HB TYR 37 4.804 0.698 -10.335 325 HD1 TYR 37 HD2 TYR 37 4.864 -0.287 -13.894 326 HD2 TYR 37 HD1 TYR 37 7.043 1.646 -10.769 327 HE1 TYR 37 HE2 TYR 37 6.369 0.728 -15.551 328 HE2 TYR 37 HE1 TYR 37 8.537 2.664 -12.431 329 HH TYR 37 HH TYR 37 7.871 2.585 -15.792 330 H LEU 38 H LEU 38 3.057 -2.360 -11.404 331 HA LEU 38 HA LEU 38 3.822 -4.945 -12.150 332 HB2 LEU 38 2HB LEU 38 1.539 -4.303 -11.471 333 HB3 LEU 38 1HB LEU 38 1.348 -3.376 -12.952 334 HG LEU 38 HG LEU 38 1.552 -5.527 -14.271 335 HD11 LEU 38 1HD1 LEU 38 1.457 -6.853 -11.540 336 HD12 LEU 38 2HD1 LEU 38 2.829 -6.863 -12.653 337 HD13 LEU 38 3HD1 LEU 38 1.333 -7.678 -13.095 338 HD21 LEU 38 3HD2 LEU 38 -0.668 -5.473 -12.214 339 HD22 LEU 38 1HD2 LEU 38 -0.688 -6.356 -13.742 340 HD23 LEU 38 2HD2 LEU 38 -0.647 -4.593 -13.745 341 H GLU 39 H GLU 39 3.681 -2.006 -14.047 342 HA GLU 39 HA GLU 39 3.588 -3.167 -16.639 343 HB2 GLU 39 2HB GLU 39 2.845 -0.842 -16.119 344 HB3 GLU 39 1HB GLU 39 4.515 -0.381 -15.826 345 HG2 GLU 39 2HG GLU 39 5.093 -0.695 -18.141 346 HG3 GLU 39 1HG GLU 39 3.529 -1.428 -18.487 347 H GLN 40 H GLN 40 6.196 -2.823 -14.408 348 HA GLN 40 HA GLN 40 8.409 -2.958 -16.263 349 HB2 GLN 40 2HB GLN 40 8.249 -3.774 -13.318 350 HB3 GLN 40 1HB GLN 40 9.744 -3.620 -14.247 351 HG2 GLN 40 2HG GLN 40 9.360 -1.224 -14.523 352 HG3 GLN 40 1HG GLN 40 7.805 -1.353 -13.707 353 HE21 GLN 40 1HE2 GLN 40 10.119 0.301 -12.999 354 HE22 GLN 40 2HE2 GLN 40 10.531 -0.146 -11.381 355 H ALA 41 H ALA 41 9.382 -4.749 -17.109 356 HA ALA 41 HA ALA 41 7.974 -7.216 -17.342 357 HB1 ALA 41 3HB ALA 41 9.325 -6.312 -19.193 358 HB2 ALA 41 1HB ALA 41 9.907 -7.919 -18.751 359 HB3 ALA 41 2HB ALA 41 10.796 -6.482 -18.235 360 H SER 42 H SER 42 10.489 -6.093 -15.213 361 HA SER 42 HA SER 42 11.322 -8.758 -14.340 362 HB2 SER 42 2HB SER 42 12.231 -5.966 -13.507 363 HB3 SER 42 1HB SER 42 12.949 -7.474 -12.940 364 HG SER 42 HG SER 42 13.286 -7.912 -15.269 365 H PHE 43 H PHE 43 8.576 -7.204 -13.674 366 HA PHE 43 HA PHE 43 8.503 -6.858 -10.878 367 HB2 PHE 43 2HB PHE 43 6.828 -5.965 -12.603 368 HB3 PHE 43 1HB PHE 43 6.118 -7.576 -12.639 369 HD1 PHE 43 HD1 PHE 43 6.998 -4.799 -10.293 370 HD2 PHE 43 HD2 PHE 43 4.419 -8.135 -11.030 371 HE1 PHE 43 HE1 PHE 43 5.675 -4.224 -8.318 372 HE2 PHE 43 HE2 PHE 43 3.099 -7.536 -9.050 373 HZ PHE 43 HZ PHE 43 3.728 -5.578 -7.686 374 HA PRO 44 HA PRO 44 9.013 -11.092 -9.633 375 HB2 PRO 44 2HB PRO 44 8.094 -11.023 -7.017 376 HB3 PRO 44 1HB PRO 44 9.628 -10.288 -7.533 377 HG2 PRO 44 2HG PRO 44 6.953 -8.961 -7.151 378 HG3 PRO 44 1HG PRO 44 8.557 -8.441 -6.578 379 HD2 PRO 44 2HD PRO 44 7.491 -7.350 -8.789 380 HD3 PRO 44 1HD PRO 44 9.234 -7.695 -8.704 381 H MET 45 H MET 45 5.767 -9.749 -9.223 382 HA MET 45 HA MET 45 4.569 -12.460 -9.135 383 HB2 MET 45 2HB MET 45 3.406 -9.738 -8.407 384 HB3 MET 45 1HB MET 45 2.498 -11.246 -8.357 385 HG2 MET 45 2HG MET 45 3.973 -12.095 -6.603 386 HG3 MET 45 1HG MET 45 4.943 -10.623 -6.676 387 HE1 MET 45 3HE MET 45 2.400 -7.932 -5.359 388 HE2 MET 45 1HE MET 45 2.618 -8.386 -7.050 389 HE3 MET 45 2HE MET 45 4.022 -8.219 -5.993 390 H ASN 46 H ASN 46 2.750 -12.924 -10.494 391 HA ASN 46 HA ASN 46 2.657 -11.676 -13.096 392 HB2 ASN 46 2HB ASN 46 0.742 -13.710 -11.838 393 HB3 ASN 46 1HB ASN 46 0.679 -13.173 -13.514 394 HD21 ASN 46 1HD2 ASN 46 2.348 -15.166 -11.214 395 HD22 ASN 46 2HD2 ASN 46 3.364 -15.973 -12.356 396 H GLU 47 H GLU 47 0.486 -10.940 -13.975 397 HA GLU 47 HA GLU 47 -0.354 -8.591 -12.639 398 HB2 GLU 47 2HB GLU 47 -1.632 -10.058 -14.988 399 HB3 GLU 47 1HB GLU 47 -1.964 -8.386 -14.530 400 HG2 GLU 47 2HG GLU 47 0.226 -7.672 -15.147 401 HG3 GLU 47 1HG GLU 47 0.816 -9.330 -15.281 402 H THR 48 H THR 48 -1.906 -11.768 -13.030 403 HA THR 48 HA THR 48 -4.343 -11.263 -11.714 404 HB THR 48 HB THR 48 -2.853 -13.927 -11.826 405 HG1 THR 48 HG1 THR 48 -4.120 -12.444 -13.806 406 HG21 THR 48 3HG2 THR 48 -5.842 -13.325 -11.708 407 HG22 THR 48 1HG2 THR 48 -4.868 -13.955 -10.358 408 HG23 THR 48 2HG2 THR 48 -5.118 -14.927 -11.804 409 H GLU 49 H GLU 49 -1.234 -12.577 -10.536 410 HA GLU 49 HA GLU 49 -1.965 -13.072 -7.864 411 HB2 GLU 49 2HB GLU 49 0.843 -12.379 -8.837 412 HB3 GLU 49 1HB GLU 49 0.420 -13.281 -7.381 413 HG2 GLU 49 2HG GLU 49 0.169 -14.161 -10.263 414 HG3 GLU 49 1HG GLU 49 1.235 -14.826 -9.029 415 H TYR 50 H TYR 50 -0.663 -10.230 -9.484 416 HA TYR 50 HA TYR 50 -0.071 -8.672 -7.192 417 HB2 TYR 50 2HB TYR 50 1.066 -8.093 -9.235 418 HB3 TYR 50 1HB TYR 50 -0.446 -7.945 -10.129 419 HD1 TYR 50 HD1 TYR 50 1.326 -6.423 -7.162 420 HD2 TYR 50 HD2 TYR 50 -1.325 -5.787 -10.465 421 HE1 TYR 50 HE1 TYR 50 1.184 -4.032 -6.598 422 HE2 TYR 50 HE2 TYR 50 -1.446 -3.412 -9.903 423 HH TYR 50 HH TYR 50 0.569 -1.911 -7.639 424 H GLN 51 H GLN 51 -2.944 -8.874 -9.306 425 HA GLN 51 HA GLN 51 -4.371 -6.698 -8.160 426 HB2 GLN 51 2HB GLN 51 -4.951 -7.646 -10.380 427 HB3 GLN 51 1HB GLN 51 -5.442 -9.156 -9.615 428 HG2 GLN 51 2HG GLN 51 -7.394 -7.781 -10.201 429 HG3 GLN 51 1HG GLN 51 -7.278 -8.016 -8.456 430 HE21 GLN 51 1HE2 GLN 51 -8.362 -6.176 -7.799 431 HE22 GLN 51 2HE2 GLN 51 -7.853 -4.560 -8.144 432 H GLU 52 H GLU 52 -4.393 -10.190 -7.526 433 HA GLU 52 HA GLU 52 -6.247 -10.198 -5.375 434 HB2 GLU 52 2HB GLU 52 -4.033 -12.182 -6.054 435 HB3 GLU 52 1HB GLU 52 -5.364 -12.482 -4.933 436 HG2 GLU 52 2HG GLU 52 -6.981 -12.273 -6.763 437 HG3 GLU 52 1HG GLU 52 -5.674 -11.915 -7.896 438 H HIS 53 H HIS 53 -2.792 -9.564 -5.586 439 HA HIS 53 HA HIS 53 -2.123 -9.675 -2.814 440 HB2 HIS 53 2HB HIS 53 -0.353 -9.793 -4.532 441 HB3 HIS 53 1HB HIS 53 -0.786 -8.203 -5.143 442 HD1 HIS 53 HD1 HIS 53 0.958 -9.903 -2.281 443 HD2 HIS 53 HD2 HIS 53 0.339 -6.069 -3.763 444 HE1 HIS 53 HE1 HIS 53 2.535 -8.414 -1.007 445 HE2 HIS 53 HE2 HIS 53 2.322 -6.177 -2.138 446 H LEU 54 H LEU 54 -3.249 -7.089 -4.995 447 HA LEU 54 HA LEU 54 -3.015 -4.892 -3.220 448 HB2 LEU 54 2HB LEU 54 -4.865 -5.367 -5.584 449 HB3 LEU 54 1HB LEU 54 -4.833 -3.847 -4.700 450 HG LEU 54 HG LEU 54 -2.469 -5.016 -6.221 451 HD11 LEU 54 1HD1 LEU 54 -4.345 -2.749 -6.938 452 HD12 LEU 54 2HD1 LEU 54 -4.266 -4.328 -7.727 453 HD13 LEU 54 3HD1 LEU 54 -2.900 -3.219 -7.838 454 HD21 LEU 54 3HD2 LEU 54 -1.749 -3.615 -4.316 455 HD22 LEU 54 1HD2 LEU 54 -2.802 -2.305 -4.864 456 HD23 LEU 54 2HD2 LEU 54 -1.423 -2.808 -5.847 457 H ASP 55 H ASP 55 -5.648 -7.165 -3.886 458 HA ASP 55 HA ASP 55 -7.518 -5.925 -2.090 459 HB2 ASP 55 2HB ASP 55 -8.159 -7.244 -4.169 460 HB3 ASP 55 1HB ASP 55 -7.671 -8.715 -3.327 461 H SER 56 H SER 56 -5.104 -8.467 -1.835 462 HA SER 56 HA SER 56 -5.938 -9.505 0.698 463 HB2 SER 56 2HB SER 56 -4.476 -10.759 -0.884 464 HB3 SER 56 1HB SER 56 -3.178 -9.599 -0.604 465 HG SER 56 HG SER 56 -3.650 -11.762 0.745 466 H VAL 57 H VAL 57 -3.688 -6.969 -0.308 467 HA VAL 57 HA VAL 57 -2.767 -6.223 2.268 468 HB VAL 57 HB VAL 57 -2.843 -4.746 -0.396 469 HG11 VAL 57 1HG1 VAL 57 -1.655 -3.731 2.213 470 HG12 VAL 57 2HG1 VAL 57 -3.003 -3.014 1.330 471 HG13 VAL 57 3HG1 VAL 57 -1.386 -3.001 0.628 472 HG21 VAL 57 3HG2 VAL 57 -1.221 -6.599 -0.235 473 HG22 VAL 57 1HG2 VAL 57 -0.544 -5.897 1.238 474 HG23 VAL 57 2HG2 VAL 57 -0.369 -5.053 -0.305 475 H ALA 58 H ALA 58 -5.293 -4.898 0.131 476 HA ALA 58 HA ALA 58 -6.378 -2.985 1.869 477 HB1 ALA 58 3HB ALA 58 -8.291 -2.949 0.328 478 HB2 ALA 58 1HB ALA 58 -7.745 -4.459 -0.407 479 HB3 ALA 58 2HB ALA 58 -6.768 -2.995 -0.560 480 H ASN 59 H ASN 59 -6.790 -6.437 1.749 481 HA ASN 59 HA ASN 59 -9.166 -6.768 3.249 482 HB2 ASN 59 2HB ASN 59 -8.106 -8.577 1.902 483 HB3 ASN 59 1HB ASN 59 -6.751 -8.627 3.022 484 HD21 ASN 59 1HD2 ASN 59 -7.085 -10.760 3.561 485 HD22 ASN 59 2HD2 ASN 59 -8.454 -11.317 4.454 486 H TYR 60 H TYR 60 -5.719 -6.678 4.215 487 HA TYR 60 HA TYR 60 -6.270 -6.788 7.042 488 HB2 TYR 60 2HB TYR 60 -3.741 -6.160 5.475 489 HB3 TYR 60 1HB TYR 60 -3.798 -6.085 7.235 490 HD1 TYR 60 HD1 TYR 60 -4.538 -8.211 8.494 491 HD2 TYR 60 HD2 TYR 60 -3.281 -8.253 4.404 492 HE1 TYR 60 HE1 TYR 60 -4.073 -10.610 8.670 493 HE2 TYR 60 HE2 TYR 60 -2.820 -10.666 4.576 494 HH TYR 60 HH TYR 60 -3.851 -12.555 7.252 495 H LEU 61 H LEU 61 -5.914 -4.224 4.657 496 HA LEU 61 HA LEU 61 -5.710 -2.067 6.526 497 HB2 LEU 61 2HB LEU 61 -6.692 -2.075 3.647 498 HB3 LEU 61 1HB LEU 61 -6.331 -0.632 4.583 499 HG LEU 61 HG LEU 61 -4.314 -2.749 3.742 500 HD11 LEU 61 1HD1 LEU 61 -3.371 -1.022 2.301 501 HD12 LEU 61 2HD1 LEU 61 -4.656 0.093 2.773 502 HD13 LEU 61 3HD1 LEU 61 -5.044 -1.373 1.867 503 HD21 LEU 61 3HD2 LEU 61 -2.590 -1.230 4.647 504 HD22 LEU 61 1HD2 LEU 61 -3.670 -1.828 5.905 505 HD23 LEU 61 2HD2 LEU 61 -3.857 -0.181 5.293 506 H HIS 62 H HIS 62 -8.346 -3.876 5.111 507 HA HIS 62 HA HIS 62 -10.510 -2.306 6.157 508 HB2 HIS 62 2HB HIS 62 -10.755 -3.812 4.170 509 HB3 HIS 62 1HB HIS 62 -10.464 -5.205 5.200 510 HD1 HIS 62 HD1 HIS 62 -12.785 -6.123 4.422 511 HD2 HIS 62 HD2 HIS 62 -13.007 -2.582 6.568 512 HE1 HIS 62 HE1 HIS 62 -15.179 -5.901 5.103 513 HE2 HIS 62 HE2 HIS 62 -15.217 -3.897 6.626 514 H ALA 63 H ALA 63 -8.798 -5.259 7.132 515 HA ALA 63 HA ALA 63 -10.421 -5.968 9.340 516 HB1 ALA 63 3HB ALA 63 -7.514 -6.670 8.788 517 HB2 ALA 63 1HB ALA 63 -8.919 -7.547 8.182 518 HB3 ALA 63 2HB ALA 63 -8.586 -7.510 9.915 519 H LEU 64 H LEU 64 -7.291 -4.281 9.193 520 HA LEU 64 HA LEU 64 -7.143 -3.865 12.048 521 HB2 LEU 64 2HB LEU 64 -5.305 -2.919 9.814 522 HB3 LEU 64 1HB LEU 64 -4.948 -2.822 11.534 523 HG LEU 64 HG LEU 64 -5.294 -5.422 9.966 524 HD11 LEU 64 1HD1 LEU 64 -3.233 -4.270 9.307 525 HD12 LEU 64 2HD1 LEU 64 -2.879 -5.732 10.224 526 HD13 LEU 64 3HD1 LEU 64 -2.738 -4.150 11.000 527 HD21 LEU 64 3HD2 LEU 64 -4.438 -4.981 12.849 528 HD22 LEU 64 1HD2 LEU 64 -4.448 -6.530 11.997 529 HD23 LEU 64 2HD2 LEU 64 -5.965 -5.689 12.305 530 H GLY 65 H GLY 65 -8.626 -2.201 9.517 531 HA2 GLY 65 2HA GLY 65 -9.686 -0.172 9.396 532 HA3 GLY 65 1HA GLY 65 -9.145 0.197 11.029 533 H GLY 66 H GLY 66 -6.720 -0.759 8.735 534 HA2 GLY 66 2HA GLY 66 -5.420 1.844 8.955 535 HA3 GLY 66 1HA GLY 66 -4.732 0.371 8.299 536 H ALA 67 H ALA 67 -7.710 0.753 6.848 537 HA ALA 67 HA ALA 67 -6.665 1.338 4.299 538 HB1 ALA 67 3HB ALA 67 -8.750 0.075 4.676 539 HB2 ALA 67 1HB ALA 67 -8.984 1.414 3.549 540 HB3 ALA 67 2HB ALA 67 -9.546 1.554 5.218 541 H VAL 68 H VAL 68 -8.502 3.368 6.570 542 HA VAL 68 HA VAL 68 -8.597 5.754 5.100 543 HB VAL 68 HB VAL 68 -8.378 5.553 8.157 544 HG11 VAL 68 1HG1 VAL 68 -9.679 7.668 8.175 545 HG12 VAL 68 2HG1 VAL 68 -9.660 7.691 6.408 546 HG13 VAL 68 3HG1 VAL 68 -8.152 7.861 7.310 547 HG21 VAL 68 3HG2 VAL 68 -10.185 4.069 7.376 548 HG22 VAL 68 1HG2 VAL 68 -10.896 5.395 6.455 549 HG23 VAL 68 2HG2 VAL 68 -10.856 5.466 8.222 550 H GLN 69 H GLN 69 -6.072 4.373 7.179 551 HA GLN 69 HA GLN 69 -4.418 6.633 7.495 552 HB2 GLN 69 2HB GLN 69 -3.681 3.676 7.569 553 HB3 GLN 69 1HB GLN 69 -2.621 4.980 8.103 554 HG2 GLN 69 2HG GLN 69 -5.308 4.254 9.298 555 HG3 GLN 69 1HG GLN 69 -3.726 3.906 10.002 556 HE21 GLN 69 1HE2 GLN 69 -5.968 5.476 11.085 557 HE22 GLN 69 2HE2 GLN 69 -5.335 7.035 11.441 558 H VAL 70 H VAL 70 -4.278 4.008 5.099 559 HA VAL 70 HA VAL 70 -1.980 4.863 3.674 560 HB VAL 70 HB VAL 70 -4.348 3.195 2.696 561 HG11 VAL 70 1HG1 VAL 70 -1.542 3.400 1.537 562 HG12 VAL 70 2HG1 VAL 70 -3.021 3.992 0.781 563 HG13 VAL 70 3HG1 VAL 70 -2.784 2.259 1.010 564 HG21 VAL 70 3HG2 VAL 70 -3.314 2.211 4.683 565 HG22 VAL 70 1HG2 VAL 70 -1.717 2.323 3.935 566 HG23 VAL 70 2HG2 VAL 70 -2.934 1.237 3.260 567 H LYS 71 H LYS 71 -5.446 5.365 3.189 568 HA LYS 71 HA LYS 71 -5.307 6.741 0.725 569 HB2 LYS 71 2HB LYS 71 -7.493 6.597 2.843 570 HB3 LYS 71 1HB LYS 71 -7.714 7.349 1.269 571 HG2 LYS 71 2HG LYS 71 -7.222 5.192 0.160 572 HG3 LYS 71 1HG LYS 71 -6.995 4.441 1.738 573 HD2 LYS 71 2HD LYS 71 -9.178 3.809 1.105 574 HD3 LYS 71 1HD LYS 71 -9.423 5.127 2.248 575 HE2 LYS 71 2HE LYS 71 -9.480 5.463 -0.772 576 HE3 LYS 71 1HE LYS 71 -10.909 5.198 0.223 577 HZ1 LYS 71 3HZ LYS 71 -9.074 7.527 0.422 578 HZ2 LYS 71 1HZ LYS 71 -10.446 7.270 1.378 579 HZ3 LYS 71 2HZ LYS 71 -10.608 7.524 -0.282 580 H THR 72 H THR 72 -5.447 7.884 4.081 581 HA THR 72 HA THR 72 -5.709 10.671 3.582 582 HB THR 72 HB THR 72 -4.693 9.189 6.054 583 HG1 THR 72 HG1 THR 72 -6.973 8.967 5.241 584 HG21 THR 72 3HG2 THR 72 -5.193 11.263 7.325 585 HG22 THR 72 1HG2 THR 72 -5.544 12.091 5.814 586 HG23 THR 72 2HG2 THR 72 -3.904 11.522 6.138 587 H PHE 73 H PHE 73 -2.963 8.532 4.280 588 HA PHE 73 HA PHE 73 -0.943 10.484 4.495 589 HB2 PHE 73 2HB PHE 73 -0.721 8.119 5.315 590 HB3 PHE 73 1HB PHE 73 -0.625 7.560 3.649 591 HD1 PHE 73 HD2 PHE 73 1.101 9.619 6.231 592 HD2 PHE 73 HD1 PHE 73 1.473 7.656 2.444 593 HE1 PHE 73 HE2 PHE 73 3.537 9.975 6.275 594 HE2 PHE 73 HE1 PHE 73 3.901 8.021 2.503 595 HZ PHE 73 HZ PHE 73 4.936 9.173 4.410 596 H ILE 74 H ILE 74 -1.776 8.332 1.736 597 HA ILE 74 HA ILE 74 0.074 9.339 -0.114 598 HB ILE 74 HB ILE 74 -2.513 7.777 -0.527 599 HG12 ILE 74 2HG1 ILE 74 0.439 6.973 -0.594 600 HG13 ILE 74 1HG1 ILE 74 -0.735 6.529 0.640 601 HG21 ILE 74 1HG2 ILE 74 -2.109 9.037 -2.603 602 HG22 ILE 74 2HG2 ILE 74 -1.810 7.318 -2.855 603 HG23 ILE 74 3HG2 ILE 74 -0.453 8.431 -2.661 604 HD11 ILE 74 3HD1 ILE 74 -0.284 4.662 -0.808 605 HD12 ILE 74 1HD1 ILE 74 -0.709 5.608 -2.234 606 HD13 ILE 74 2HD1 ILE 74 -1.946 5.196 -1.043 607 H THR 75 H THR 75 -3.177 10.461 0.689 608 HA THR 75 HA THR 75 -3.543 12.268 -1.497 609 HB THR 75 HB THR 75 -4.859 12.174 1.254 610 HG1 THR 75 HG1 THR 75 -5.139 10.444 -0.390 611 HG21 THR 75 3HG2 THR 75 -5.104 14.471 0.343 612 HG22 THR 75 1HG2 THR 75 -6.650 13.615 0.312 613 HG23 THR 75 2HG2 THR 75 -5.715 13.805 -1.172 614 H GLN 76 H GLN 76 -2.188 12.639 1.781 615 HA GLN 76 HA GLN 76 -1.921 15.522 1.564 616 HB2 GLN 76 2HB GLN 76 -1.154 13.560 3.754 617 HB3 GLN 76 1HB GLN 76 -0.838 15.293 3.870 618 HG2 GLN 76 2HG GLN 76 -3.262 15.738 3.628 619 HG3 GLN 76 1HG GLN 76 -3.569 14.000 3.576 620 HE21 GLN 76 1HE2 GLN 76 -4.900 14.167 5.426 621 HE22 GLN 76 2HE2 GLN 76 -4.232 14.382 7.007 622 H THR 77 H THR 77 0.308 12.760 1.512 623 HA THR 77 HA THR 77 2.690 14.366 1.302 624 HB THR 77 HB THR 77 2.703 12.041 2.322 625 HG1 THR 77 HG1 THR 77 4.736 12.282 1.862 626 HG21 THR 77 3HG2 THR 77 2.539 11.052 -0.567 627 HG22 THR 77 1HG2 THR 77 1.280 10.844 0.652 628 HG23 THR 77 2HG2 THR 77 2.842 10.060 0.862 629 H LYS 78 H LYS 78 4.085 14.335 -0.580 630 HA LYS 78 HA LYS 78 2.799 13.655 -3.172 631 HB2 LYS 78 2HB LYS 78 4.611 16.054 -2.605 632 HB3 LYS 78 1HB LYS 78 4.080 15.551 -4.213 633 HG2 LYS 78 2HG LYS 78 1.726 15.946 -3.544 634 HG3 LYS 78 1HG LYS 78 2.281 16.496 -1.957 635 HD2 LYS 78 2HD LYS 78 3.566 18.327 -3.094 636 HD3 LYS 78 1HD LYS 78 2.893 17.801 -4.643 637 HE2 LYS 78 2HE LYS 78 1.291 18.814 -2.265 638 HE3 LYS 78 1HE LYS 78 1.658 19.732 -3.726 639 HZ1 LYS 78 3HZ LYS 78 0.345 18.209 -5.012 640 HZ2 LYS 78 1HZ LYS 78 -0.579 18.775 -3.716 641 HZ3 LYS 78 2HZ LYS 78 0.074 17.218 -3.671 642 H GLU 79 H GLU 79 4.831 12.423 -1.141 643 HA GLU 79 HA GLU 79 7.335 12.282 -2.540 644 HB2 GLU 79 2HB GLU 79 6.300 10.515 -0.278 645 HB3 GLU 79 1HB GLU 79 7.966 10.565 -0.858 646 HG2 GLU 79 2HG GLU 79 6.449 12.784 0.539 647 HG3 GLU 79 1HG GLU 79 7.787 11.844 1.189 648 H ARG 80 H ARG 80 8.118 10.760 -3.831 649 HA ARG 80 HA ARG 80 6.290 8.705 -4.929 650 HB2 ARG 80 2HB ARG 80 8.661 10.121 -6.249 651 HB3 ARG 80 1HB ARG 80 7.753 8.797 -6.986 652 HG2 ARG 80 2HG ARG 80 5.677 10.211 -6.759 653 HG3 ARG 80 1HG ARG 80 6.705 11.554 -6.271 654 HD2 ARG 80 2HD ARG 80 7.769 11.608 -8.430 655 HD3 ARG 80 1HD ARG 80 7.027 10.075 -8.905 656 HE ARG 80 HE ARG 80 4.896 11.693 -8.372 657 HH11 ARG 80 1HH1 ARG 80 7.651 12.064 -10.536 658 HH12 ARG 80 2HH1 ARG 80 6.771 13.029 -11.682 659 HH21 ARG 80 1HH2 ARG 80 3.746 12.918 -9.900 660 HH22 ARG 80 2HH2 ARG 80 4.558 13.509 -11.320 661 HA PRO 81 HA PRO 81 9.005 5.552 -3.254 662 HB2 PRO 81 2HB PRO 81 8.480 3.482 -5.043 663 HB3 PRO 81 1HB PRO 81 7.388 3.939 -3.724 664 HG2 PRO 81 2HG PRO 81 7.244 4.674 -6.625 665 HG3 PRO 81 1HG PRO 81 5.935 4.189 -5.522 666 HD2 PRO 81 2HD PRO 81 6.352 6.787 -6.157 667 HD3 PRO 81 1HD PRO 81 5.788 6.303 -4.541 668 H ARG 82 H ARG 82 11.116 5.644 -3.461 669 HA ARG 82 HA ARG 82 12.428 6.238 -6.021 670 HB2 ARG 82 2HB ARG 82 13.462 6.408 -3.156 671 HB3 ARG 82 1HB ARG 82 14.353 6.904 -4.593 672 HG2 ARG 82 2HG ARG 82 11.803 8.145 -3.562 673 HG3 ARG 82 1HG ARG 82 13.428 8.798 -3.398 674 HD2 ARG 82 2HD ARG 82 13.589 9.066 -5.830 675 HD3 ARG 82 1HD ARG 82 11.988 8.339 -6.028 676 HE ARG 82 HE ARG 82 12.031 10.662 -4.310 677 HH11 ARG 82 1HH1 ARG 82 11.705 9.582 -7.652 678 HH12 ARG 82 2HH1 ARG 82 10.866 11.016 -8.147 679 HH21 ARG 82 1HH2 ARG 82 10.939 12.496 -4.968 680 HH22 ARG 82 2HH2 ARG 82 10.428 12.680 -6.614 681 H LEU 83 H LEU 83 14.829 5.448 -5.888 682 HA LEU 83 HA LEU 83 14.661 2.538 -6.097 683 HB2 LEU 83 2HB LEU 83 15.779 3.874 -7.878 684 HB3 LEU 83 1HB LEU 83 16.996 4.393 -6.722 685 HG LEU 83 HG LEU 83 17.728 1.993 -6.460 686 HD11 LEU 83 1HD1 LEU 83 15.631 0.873 -7.050 687 HD12 LEU 83 2HD1 LEU 83 16.944 0.301 -8.077 688 HD13 LEU 83 3HD1 LEU 83 15.766 1.452 -8.714 689 HD21 LEU 83 3HD2 LEU 83 17.803 3.042 -9.304 690 HD22 LEU 83 1HD2 LEU 83 18.878 1.817 -8.621 691 HD23 LEU 83 2HD2 LEU 83 18.920 3.467 -8.004 692 H GLY 84 H GLY 84 14.572 1.764 -4.042 693 HA2 GLY 84 2HA GLY 84 15.875 0.682 -2.338 694 HA3 GLY 84 1HA GLY 84 16.945 2.077 -2.284 695 H LYS 85 H LYS 85 14.763 4.021 -2.363 696 HA LYS 85 HA LYS 85 13.939 3.907 0.460 697 HB2 LYS 85 2HB LYS 85 15.113 5.962 -0.301 698 HB3 LYS 85 1HB LYS 85 13.894 6.212 -1.540 699 HG2 LYS 85 2HG LYS 85 13.484 7.729 0.312 700 HG3 LYS 85 1HG LYS 85 12.177 6.545 0.209 701 HD2 LYS 85 2HD LYS 85 13.212 5.253 2.068 702 HD3 LYS 85 1HD LYS 85 14.509 6.451 2.174 703 HE2 LYS 85 2HE LYS 85 11.556 6.954 2.683 704 HE3 LYS 85 1HE LYS 85 12.813 6.832 3.914 705 HZ1 LYS 85 3HZ LYS 85 12.608 8.922 1.815 706 HZ2 LYS 85 1HZ LYS 85 13.860 8.808 2.945 707 HZ3 LYS 85 2HZ LYS 85 12.282 9.123 3.458 708 H ALA 86 H ALA 86 12.110 2.729 0.606 709 HA ALA 86 HA ALA 86 9.875 2.920 -1.245 710 HB1 ALA 86 3HB ALA 86 10.470 0.780 -0.144 711 HB2 ALA 86 1HB ALA 86 8.819 1.269 0.255 712 HB3 ALA 86 2HB ALA 86 10.119 1.490 1.432 713 H VAL 87 H VAL 87 7.870 3.879 -0.790 714 HA VAL 87 HA VAL 87 7.704 5.988 1.169 715 HB VAL 87 HB VAL 87 5.474 4.807 -0.575 716 HG11 VAL 87 1HG1 VAL 87 4.532 6.029 1.355 717 HG12 VAL 87 2HG1 VAL 87 4.239 6.915 -0.143 718 HG13 VAL 87 3HG1 VAL 87 5.516 7.442 0.957 719 HG21 VAL 87 3HG2 VAL 87 5.836 6.750 -2.067 720 HG22 VAL 87 1HG2 VAL 87 7.288 5.753 -1.949 721 HG23 VAL 87 2HG2 VAL 87 7.189 7.274 -1.061 722 H SER 88 H SER 88 8.010 5.013 3.144 723 HA SER 88 HA SER 88 6.527 2.706 4.040 724 HB2 SER 88 2HB SER 88 8.874 3.154 4.763 725 HB3 SER 88 1HB SER 88 8.332 4.609 5.598 726 HG SER 88 HG SER 88 7.377 3.412 7.104 727 H ILE 89 H ILE 89 4.378 3.195 4.020 728 HA ILE 89 HA ILE 89 3.243 5.614 5.137 729 HB ILE 89 HB ILE 89 1.853 3.055 4.209 730 HG12 ILE 89 2HG1 ILE 89 2.288 5.660 2.677 731 HG13 ILE 89 1HG1 ILE 89 3.174 4.166 2.398 732 HG21 ILE 89 1HG2 ILE 89 -0.210 4.426 4.070 733 HG22 ILE 89 2HG2 ILE 89 0.657 5.807 4.745 734 HG23 ILE 89 3HG2 ILE 89 0.407 4.358 5.723 735 HD11 ILE 89 3HD1 ILE 89 0.221 4.589 1.983 736 HD12 ILE 89 1HD1 ILE 89 1.087 3.067 1.741 737 HD13 ILE 89 2HD1 ILE 89 1.465 4.467 0.739 738 HA PRO 90 HA PRO 90 3.258 3.514 9.229 739 HB2 PRO 90 2HB PRO 90 2.811 5.729 10.778 740 HB3 PRO 90 1HB PRO 90 4.403 5.360 10.083 741 HG2 PRO 90 2HG PRO 90 2.345 7.319 9.127 742 HG3 PRO 90 1HG PRO 90 4.113 7.494 9.208 743 HD2 PRO 90 2HD PRO 90 2.763 6.867 6.891 744 HD3 PRO 90 1HD PRO 90 4.449 6.402 7.197 745 H LEU 91 H LEU 91 1.467 2.317 9.554 746 HA LEU 91 HA LEU 91 -1.204 3.388 9.134 747 HB2 LEU 91 2HB LEU 91 -0.366 0.621 10.090 748 HB3 LEU 91 1HB LEU 91 -1.971 1.099 9.545 749 HG LEU 91 HG LEU 91 0.539 0.881 7.823 750 HD11 LEU 91 1HD1 LEU 91 -0.434 -1.281 8.376 751 HD12 LEU 91 2HD1 LEU 91 -0.697 -0.908 6.675 752 HD13 LEU 91 3HD1 LEU 91 -2.024 -0.738 7.828 753 HD21 LEU 91 3HD2 LEU 91 -2.252 1.799 7.032 754 HD22 LEU 91 1HD2 LEU 91 -0.939 1.438 5.905 755 HD23 LEU 91 2HD2 LEU 91 -0.781 2.776 7.037 756 H ASP 92 H ASP 92 -1.629 4.823 10.736 757 HA ASP 92 HA ASP 92 -0.969 4.378 13.497 758 HB2 ASP 92 2HB ASP 92 -1.043 6.670 12.470 759 HB3 ASP 92 1HB ASP 92 -2.787 6.514 12.296 760 H LEU 93 H LEU 93 -1.951 2.503 14.088 761 HA LEU 93 HA LEU 93 -4.858 2.160 13.886 762 HB2 LEU 93 2HB LEU 93 -2.731 0.251 14.949 763 HB3 LEU 93 1HB LEU 93 -4.411 -0.149 14.622 764 HG LEU 93 HG LEU 93 -2.255 0.501 12.560 765 HD11 LEU 93 1HD1 LEU 93 -3.793 -2.060 13.091 766 HD12 LEU 93 2HD1 LEU 93 -2.096 -1.759 13.476 767 HD13 LEU 93 3HD1 LEU 93 -2.619 -1.803 11.795 768 HD21 LEU 93 3HD2 LEU 93 -5.208 -0.043 12.085 769 HD22 LEU 93 1HD2 LEU 93 -3.970 0.046 10.826 770 HD23 LEU 93 2HD2 LEU 93 -4.359 1.473 11.780 771 H GLY 94 H GLY 94 -4.240 4.291 15.491 772 HA2 GLY 94 2HA GLY 94 -4.142 3.661 18.280 773 HA3 GLY 94 1HA GLY 94 -4.679 5.181 17.575 774 H GLU 95 H GLU 95 -6.879 5.480 17.099 775 HA GLU 95 HA GLU 95 -8.807 3.949 18.555 776 HB2 GLU 95 2HB GLU 95 -9.229 6.087 16.411 777 HB3 GLU 95 1HB GLU 95 -10.437 5.513 17.559 778 HG2 GLU 95 2HG GLU 95 -7.904 7.053 18.241 779 HG3 GLU 95 1HG GLU 95 -9.541 7.700 18.216 780 H ARG 96 H ARG 96 -7.457 3.803 15.359 781 HA ARG 96 HA ARG 96 -9.569 2.482 13.987 782 HB2 ARG 96 2HB ARG 96 -6.593 2.452 13.350 783 HB3 ARG 96 1HB ARG 96 -7.879 1.943 12.258 784 HG2 ARG 96 2HG ARG 96 -7.349 4.754 13.279 785 HG3 ARG 96 1HG ARG 96 -7.125 4.157 11.633 786 HD2 ARG 96 2HD ARG 96 -9.785 4.450 13.083 787 HD3 ARG 96 1HD ARG 96 -9.165 5.525 11.832 788 HE ARG 96 HE ARG 96 -9.181 3.272 10.478 789 HH11 ARG 96 1HH1 ARG 96 -11.663 4.498 12.629 790 HH12 ARG 96 2HH1 ARG 96 -12.951 3.691 11.791 791 HH21 ARG 96 1HH2 ARG 96 -10.871 2.161 9.433 792 HH22 ARG 96 2HH2 ARG 96 -12.504 2.377 9.981 793 H ALA 97 H ALA 97 -7.235 1.324 16.271 794 HA ALA 97 HA ALA 97 -7.260 -1.446 15.587 795 HB1 ALA 97 3HB ALA 97 -5.505 -0.467 17.004 796 HB2 ALA 97 1HB ALA 97 -6.311 -1.800 17.836 797 HB3 ALA 97 2HB ALA 97 -6.692 -0.130 18.266 798 H SER 98 H SER 98 -9.418 0.602 17.477 799 HA SER 98 HA SER 98 -10.784 -1.553 18.800 800 HB2 SER 98 2HB SER 98 -10.546 0.779 19.732 801 HB3 SER 98 1HB SER 98 -11.703 1.333 18.522 802 HG SER 98 HG SER 98 -12.786 -0.753 19.743 803 H GLU 99 H GLU 99 -10.957 -0.394 15.636 804 HA GLU 99 HA GLU 99 -13.718 -0.753 15.052 805 HB2 GLU 99 2HB GLU 99 -11.362 -1.089 13.156 806 HB3 GLU 99 1HB GLU 99 -13.032 -0.744 12.703 807 HG2 GLU 99 2HG GLU 99 -11.108 1.080 14.174 808 HG3 GLU 99 1HG GLU 99 -11.688 1.269 12.522 809 H TRP 100 H TRP 100 -10.955 -2.965 15.178 810 HA TRP 100 HA TRP 100 -12.732 -5.248 14.572 811 HB2 TRP 100 2HB TRP 100 -10.687 -6.588 14.223 812 HB3 TRP 100 1HB TRP 100 -10.800 -5.218 13.135 813 HD1 TRP 100 HD1 TRP 100 -9.131 -3.045 13.844 814 HE1 TRP 100 HE1 TRP 100 -6.727 -3.121 14.740 815 HE3 TRP 100 HE3 TRP 100 -9.050 -7.866 15.572 816 HZ2 TRP 100 HZ2 TRP 100 -5.005 -4.962 15.993 817 HZ3 TRP 100 HZ3 TRP 100 -6.972 -8.712 16.592 818 HH2 TRP 100 HH2 TRP 100 -4.993 -7.289 16.799 819 H ILE 101 H ILE 101 -11.631 -3.639 17.255 820 HA ILE 101 HA ILE 101 -11.843 -6.030 18.986 821 HB ILE 101 HB ILE 101 -10.870 -3.192 19.466 822 HG12 ILE 101 2HG1 ILE 101 -8.995 -4.334 20.635 823 HG13 ILE 101 1HG1 ILE 101 -9.795 -5.883 20.424 824 HG21 ILE 101 1HG2 ILE 101 -10.909 -3.490 21.927 825 HG22 ILE 101 2HG2 ILE 101 -11.854 -4.970 21.720 826 HG23 ILE 101 3HG2 ILE 101 -12.532 -3.413 21.237 827 HD11 ILE 101 3HD1 ILE 101 -9.474 -5.696 18.007 828 HD12 ILE 101 1HD1 ILE 101 -7.957 -5.627 18.903 829 HD13 ILE 101 2HD1 ILE 101 -8.661 -4.150 18.253 830 H ILE 102 H ILE 102 -13.877 -6.653 19.320 831 HA ILE 102 HA ILE 102 -16.044 -4.672 19.791 832 HB ILE 102 HB ILE 102 -16.332 -7.364 18.354 833 HG12 ILE 102 2HG1 ILE 102 -17.395 -5.738 16.541 834 HG13 ILE 102 1HG1 ILE 102 -16.470 -4.494 17.368 835 HG21 ILE 102 1HG2 ILE 102 -18.745 -6.825 18.123 836 HG22 ILE 102 2HG2 ILE 102 -18.515 -5.398 19.136 837 HG23 ILE 102 3HG2 ILE 102 -18.271 -7.011 19.813 838 HD11 ILE 102 3HD1 ILE 102 -15.307 -5.295 15.433 839 HD12 ILE 102 1HD1 ILE 102 -15.379 -6.956 16.026 840 HD13 ILE 102 2HD1 ILE 102 -14.422 -5.751 16.887 841 H LEU 103 H LEU 103 -16.275 -4.730 21.965 842 HA LEU 103 HA LEU 103 -16.925 -7.339 23.239 843 HB2 LEU 103 2HB LEU 103 -15.646 -4.849 24.451 844 HB3 LEU 103 1HB LEU 103 -16.446 -6.048 25.444 845 HG LEU 103 HG LEU 103 -14.761 -7.765 24.553 846 HD11 LEU 103 1HD1 LEU 103 -12.625 -6.923 23.646 847 HD12 LEU 103 2HD1 LEU 103 -13.322 -5.305 23.533 848 HD13 LEU 103 3HD1 LEU 103 -13.973 -6.619 22.554 849 HD21 LEU 103 3HD2 LEU 103 -14.576 -6.816 26.803 850 HD22 LEU 103 1HD2 LEU 103 -13.665 -5.442 26.166 851 HD23 LEU 103 2HD2 LEU 103 -12.981 -7.069 26.097 852 H GLU 104 H GLU 104 -18.978 -6.899 22.110 853 HA GLU 104 HA GLU 104 -20.744 -4.937 23.476 854 HB2 GLU 104 2HB GLU 104 -20.748 -5.773 20.538 855 HB3 GLU 104 1HB GLU 104 -21.981 -4.765 21.296 856 HG2 GLU 104 2HG GLU 104 -20.376 -3.002 21.716 857 HG3 GLU 104 1HG GLU 104 -19.043 -4.026 21.181
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