NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
8843 | 1mxl | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 58.042 -14.366 21.807 2 2H MET 1 2H MET 1 57.432 -13.248 22.932 3 3H MET 1 3H MET 1 56.472 -14.555 22.431 4 HA MET 1 HA MET 1 55.655 -12.687 21.252 5 1HB MET 1 1HB MET 1 57.289 -11.214 20.083 6 2HB MET 1 2HB MET 1 57.605 -11.296 21.817 7 1HG MET 1 1HG MET 1 58.966 -13.381 20.238 8 2HG MET 1 2HG MET 1 59.495 -11.737 19.883 9 1HE MET 1 1HE MET 1 61.824 -12.254 20.619 10 2HE MET 1 2HE MET 1 61.312 -10.644 21.118 11 3HE MET 1 3HE MET 1 62.272 -11.649 22.213 12 H ASP 2 H ASP 2 55.985 -12.297 18.660 13 HA ASP 2 HA ASP 2 56.840 -14.853 17.375 14 1HB ASP 2 1HB ASP 2 54.627 -14.900 16.210 15 2HB ASP 2 2HB ASP 2 54.468 -15.068 17.959 16 H ASP 3 H ASP 3 55.767 -14.213 14.827 17 HA ASP 3 HA ASP 3 57.218 -11.670 14.163 18 1HB ASP 3 1HB ASP 3 57.375 -14.458 13.159 19 2HB ASP 3 2HB ASP 3 57.426 -13.201 11.922 20 H ILE 4 H ILE 4 55.046 -10.633 14.280 21 HA ILE 4 HA ILE 4 52.858 -11.473 12.592 22 HB ILE 4 HB ILE 4 53.496 -8.705 13.650 23 1HG1 ILE 4 1HG1 ILE 4 51.799 -10.055 15.445 24 2HG1 ILE 4 2HG1 ILE 4 53.092 -11.198 15.080 25 1HG2 ILE 4 1HG2 ILE 4 50.898 -10.183 13.127 26 2HG2 ILE 4 2HG2 ILE 4 51.025 -8.563 13.813 27 3HG2 ILE 4 3HG2 ILE 4 51.550 -8.862 12.157 28 1HD1 ILE 4 1HD1 ILE 4 54.473 -8.830 15.383 29 2HD1 ILE 4 2HD1 ILE 4 53.196 -8.678 16.589 30 3HD1 ILE 4 3HD1 ILE 4 54.290 -10.060 16.633 31 H TYR 5 H TYR 5 55.808 -9.770 11.971 32 HA TYR 5 HA TYR 5 54.773 -8.542 9.472 33 1HB TYR 5 1HB TYR 5 57.505 -8.504 10.799 34 2HB TYR 5 2HB TYR 5 56.987 -7.466 9.469 35 HD1 TYR 5 HD1 TYR 5 54.971 -5.927 9.848 36 HD2 TYR 5 HD2 TYR 5 57.048 -7.914 13.040 37 HE1 TYR 5 HE1 TYR 5 54.004 -4.324 11.476 38 HE2 TYR 5 HE2 TYR 5 56.082 -6.310 14.667 39 HH TYR 5 HH TYR 5 54.994 -4.328 14.867 40 H LYS 6 H LYS 6 57.433 -10.738 10.464 41 HA LYS 6 HA LYS 6 58.249 -11.484 7.834 42 1HB LYS 6 1HB LYS 6 58.572 -12.365 10.629 43 2HB LYS 6 2HB LYS 6 58.772 -13.658 9.446 44 1HG LYS 6 1HG LYS 6 60.794 -12.868 8.856 45 2HG LYS 6 2HG LYS 6 60.111 -11.278 8.517 46 1HD LYS 6 1HD LYS 6 60.693 -12.191 11.337 47 2HD LYS 6 2HD LYS 6 61.914 -11.390 10.346 48 1HE LYS 6 1HE LYS 6 59.565 -9.834 10.072 49 2HE LYS 6 2HE LYS 6 59.729 -10.190 11.803 50 1HZ LYS 6 1HZ LYS 6 62.168 -9.666 11.483 51 2HZ LYS 6 2HZ LYS 6 61.736 -8.986 9.988 52 3HZ LYS 6 3HZ LYS 6 61.109 -8.342 11.429 53 H ALA 7 H ALA 7 55.551 -12.512 9.814 54 HA ALA 7 HA ALA 7 54.999 -14.959 8.322 55 1HB ALA 7 1HB ALA 7 54.408 -14.459 10.723 56 2HB ALA 7 2HB ALA 7 53.218 -13.299 10.132 57 3HB ALA 7 3HB ALA 7 53.038 -15.012 9.758 58 H ALA 8 H ALA 8 53.599 -11.664 8.407 59 HA ALA 8 HA ALA 8 51.535 -12.074 6.489 60 1HB ALA 8 1HB ALA 8 52.814 -9.952 7.940 61 2HB ALA 8 2HB ALA 8 52.629 -9.447 6.261 62 3HB ALA 8 3HB ALA 8 51.218 -9.951 7.190 63 H VAL 9 H VAL 9 54.896 -10.915 6.040 64 HA VAL 9 HA VAL 9 54.933 -10.420 3.297 65 HB VAL 9 HB VAL 9 57.032 -11.920 4.897 66 1HG1 VAL 9 1HG1 VAL 9 57.095 -10.151 2.445 67 2HG1 VAL 9 2HG1 VAL 9 58.538 -10.487 3.400 68 3HG1 VAL 9 3HG1 VAL 9 57.681 -11.806 2.603 69 1HG2 VAL 9 1HG2 VAL 9 55.841 -9.377 5.397 70 2HG2 VAL 9 2HG2 VAL 9 57.231 -10.099 6.206 71 3HG2 VAL 9 3HG2 VAL 9 57.467 -9.088 4.780 72 H GLU 10 H GLU 10 55.725 -13.581 4.803 73 HA GLU 10 HA GLU 10 55.844 -15.073 2.381 74 1HB GLU 10 1HB GLU 10 56.362 -15.500 5.001 75 2HB GLU 10 2HB GLU 10 54.825 -16.356 4.868 76 1HG GLU 10 1HG GLU 10 55.699 -17.672 2.985 77 2HG GLU 10 2HG GLU 10 57.230 -16.798 3.073 78 H GLN 11 H GLN 11 53.118 -14.024 4.331 79 HA GLN 11 HA GLN 11 51.233 -15.786 2.863 80 1HB GLN 11 1HB GLN 11 51.144 -13.914 5.225 81 2HB GLN 11 2HB GLN 11 49.649 -14.497 4.491 82 1HG GLN 11 1HG GLN 11 50.170 -16.766 4.968 83 2HG GLN 11 2HG GLN 11 51.858 -16.386 5.316 84 1HE2 GLN 11 2HE2 GLN 11 52.389 -15.748 7.453 85 2HE2 GLN 11 1HE2 GLN 11 51.243 -15.572 8.694 86 H LEU 12 H LEU 12 52.623 -13.695 1.351 87 HA LEU 12 HA LEU 12 50.479 -11.672 0.891 88 1HB LEU 12 1HB LEU 12 53.423 -11.935 0.362 89 2HB LEU 12 2HB LEU 12 52.480 -10.831 -0.639 90 HG LEU 12 HG LEU 12 52.505 -10.794 2.392 91 1HD1 LEU 12 1HD1 LEU 12 54.686 -10.143 1.311 92 2HD1 LEU 12 2HD1 LEU 12 53.820 -8.868 0.455 93 3HD1 LEU 12 3HD1 LEU 12 53.920 -8.838 2.216 94 1HD2 LEU 12 1HD2 LEU 12 51.005 -9.372 0.262 95 2HD2 LEU 12 2HD2 LEU 12 50.547 -9.697 1.933 96 3HD2 LEU 12 3HD2 LEU 12 51.631 -8.356 1.561 97 H THR 13 H THR 13 49.340 -11.645 -1.055 98 HA THR 13 HA THR 13 49.748 -13.959 -2.877 99 HB THR 13 HB THR 13 47.507 -12.926 -3.758 100 HG1 THR 13 HG1 THR 13 46.510 -11.667 -2.121 101 1HG2 THR 13 1HG2 THR 13 47.993 -14.267 -1.112 102 2HG2 THR 13 2HG2 THR 13 46.352 -13.861 -1.614 103 3HG2 THR 13 3HG2 THR 13 47.329 -14.951 -2.596 104 H GLU 14 H GLU 14 49.521 -13.480 -5.270 105 HA GLU 14 HA GLU 14 51.487 -11.696 -6.225 106 1HB GLU 14 1HB GLU 14 50.420 -12.145 -8.410 107 2HB GLU 14 2HB GLU 14 50.500 -13.617 -7.441 108 1HG GLU 14 1HG GLU 14 48.062 -12.051 -6.967 109 2HG GLU 14 2HG GLU 14 48.212 -12.624 -8.629 110 H GLU 15 H GLU 15 48.195 -11.070 -5.268 111 HA GLU 15 HA GLU 15 47.731 -8.660 -6.770 112 1HB GLU 15 1HB GLU 15 46.687 -9.615 -4.083 113 2HB GLU 15 2HB GLU 15 45.949 -8.354 -5.073 114 1HG GLU 15 1HG GLU 15 46.478 -10.926 -6.451 115 2HG GLU 15 2HG GLU 15 45.220 -10.962 -5.215 116 H GLN 16 H GLN 16 49.121 -9.269 -3.542 117 HA GLN 16 HA GLN 16 49.521 -6.409 -3.004 118 1HB GLN 16 1HB GLN 16 50.869 -8.656 -1.528 119 2HB GLN 16 2HB GLN 16 50.179 -7.166 -0.888 120 1HG GLN 16 1HG GLN 16 47.928 -8.236 -1.848 121 2HG GLN 16 2HG GLN 16 48.828 -9.732 -1.595 122 1HE2 GLN 16 2HE2 GLN 16 47.793 -6.749 0.125 123 2HE2 GLN 16 1HE2 GLN 16 47.773 -7.462 1.665 124 H LYS 17 H LYS 17 51.750 -9.192 -3.331 125 HA LYS 17 HA LYS 17 54.203 -7.920 -3.420 126 1HB LYS 17 1HB LYS 17 52.969 -10.281 -4.780 127 2HB LYS 17 2HB LYS 17 54.584 -9.791 -5.294 128 1HG LYS 17 1HG LYS 17 55.546 -10.410 -3.319 129 2HG LYS 17 2HG LYS 17 54.157 -9.891 -2.364 130 1HD LYS 17 1HD LYS 17 53.840 -12.145 -2.126 131 2HD LYS 17 2HD LYS 17 53.045 -11.972 -3.691 132 1HE LYS 17 1HE LYS 17 54.630 -13.235 -4.707 133 2HE LYS 17 2HE LYS 17 55.934 -12.263 -3.998 134 1HZ LYS 17 1HZ LYS 17 54.472 -13.903 -2.115 135 2HZ LYS 17 2HZ LYS 17 55.369 -14.783 -3.258 136 3HZ LYS 17 3HZ LYS 17 56.142 -13.647 -2.258 137 H ASN 18 H ASN 18 52.010 -8.364 -6.217 138 HA ASN 18 HA ASN 18 53.520 -7.169 -8.244 139 1HB ASN 18 1HB ASN 18 50.594 -7.295 -7.553 140 2HB ASN 18 2HB ASN 18 51.114 -6.413 -8.989 141 1HD2 ASN 18 2HD2 ASN 18 49.580 -8.588 -9.561 142 2HD2 ASN 18 1HD2 ASN 18 50.520 -9.886 -10.123 143 H GLU 19 H GLU 19 51.847 -5.615 -5.559 144 HA GLU 19 HA GLU 19 52.119 -2.912 -6.675 145 1HB GLU 19 1HB GLU 19 51.295 -4.072 -3.998 146 2HB GLU 19 2HB GLU 19 51.253 -2.345 -4.358 147 1HG GLU 19 1HG GLU 19 49.983 -3.639 -6.531 148 2HG GLU 19 2HG GLU 19 49.335 -4.378 -5.065 149 H PHE 20 H PHE 20 53.624 -4.761 -4.000 150 HA PHE 20 HA PHE 20 55.428 -2.715 -3.149 151 1HB PHE 20 1HB PHE 20 55.599 -5.745 -3.082 152 2HB PHE 20 2HB PHE 20 56.604 -4.663 -2.118 153 HD1 PHE 20 HD1 PHE 20 54.634 -2.537 -1.446 154 HD2 PHE 20 HD2 PHE 20 54.233 -6.813 -1.456 155 HE1 PHE 20 HE1 PHE 20 52.838 -2.370 0.254 156 HE2 PHE 20 HE2 PHE 20 52.436 -6.646 0.246 157 HZ PHE 20 HZ PHE 20 51.738 -4.425 1.101 158 H LYS 21 H LYS 21 55.820 -5.353 -5.535 159 HA LYS 21 HA LYS 21 58.549 -5.017 -6.162 160 1HB LYS 21 1HB LYS 21 56.218 -5.610 -8.018 161 2HB LYS 21 2HB LYS 21 57.902 -6.054 -8.298 162 1HG LYS 21 1HG LYS 21 57.152 -6.987 -5.698 163 2HG LYS 21 2HG LYS 21 55.925 -7.513 -6.850 164 1HD LYS 21 1HD LYS 21 58.816 -7.801 -7.587 165 2HD LYS 21 2HD LYS 21 58.101 -8.967 -6.472 166 1HE LYS 21 1HE LYS 21 56.221 -8.655 -8.567 167 2HE LYS 21 2HE LYS 21 57.808 -8.828 -9.342 168 1HZ LYS 21 1HZ LYS 21 58.191 -10.652 -7.623 169 2HZ LYS 21 2HZ LYS 21 56.511 -10.633 -7.390 170 3HZ LYS 21 3HZ LYS 21 57.151 -11.012 -8.918 171 H ALA 22 H ALA 22 55.820 -2.965 -6.885 172 HA ALA 22 HA ALA 22 56.926 -1.508 -9.106 173 1HB ALA 22 1HB ALA 22 54.528 -1.629 -8.263 174 2HB ALA 22 2HB ALA 22 55.013 -0.536 -6.966 175 3HB ALA 22 3HB ALA 22 55.097 -0.004 -8.645 176 H ALA 23 H ALA 23 56.565 -0.420 -5.699 177 HA ALA 23 HA ALA 23 58.298 1.827 -5.925 178 1HB ALA 23 1HB ALA 23 57.229 0.082 -3.729 179 2HB ALA 23 2HB ALA 23 58.451 1.291 -3.335 180 3HB ALA 23 3HB ALA 23 56.916 1.789 -4.045 181 H PHE 24 H PHE 24 58.975 -1.506 -4.800 182 HA PHE 24 HA PHE 24 61.646 -1.307 -4.042 183 1HB PHE 24 1HB PHE 24 60.378 -3.368 -3.925 184 2HB PHE 24 2HB PHE 24 60.187 -3.405 -5.678 185 HD1 PHE 24 HD1 PHE 24 62.563 -3.842 -2.883 186 HD2 PHE 24 HD2 PHE 24 62.000 -4.098 -7.134 187 HE1 PHE 24 HE1 PHE 24 64.694 -5.094 -3.088 188 HE2 PHE 24 HE2 PHE 24 64.131 -5.351 -7.339 189 HZ PHE 24 HZ PHE 24 65.477 -5.849 -5.317 190 H ASP 25 H ASP 25 60.307 -1.377 -7.327 191 HA ASP 25 HA ASP 25 62.865 -1.465 -8.692 192 1HB ASP 25 1HB ASP 25 60.178 -1.755 -9.297 193 2HB ASP 25 2HB ASP 25 60.582 -0.220 -10.067 194 H ILE 26 H ILE 26 60.463 1.179 -8.320 195 HA ILE 26 HA ILE 26 62.163 3.258 -9.305 196 HB ILE 26 HB ILE 26 59.726 3.117 -7.522 197 1HG1 ILE 26 1HG1 ILE 26 59.038 4.504 -9.748 198 2HG1 ILE 26 2HG1 ILE 26 60.330 3.497 -10.404 199 1HG2 ILE 26 1HG2 ILE 26 61.489 5.430 -8.137 200 2HG2 ILE 26 2HG2 ILE 26 59.755 5.705 -8.301 201 3HG2 ILE 26 3HG2 ILE 26 60.419 5.165 -6.760 202 1HD1 ILE 26 1HD1 ILE 26 58.093 2.353 -8.726 203 2HD1 ILE 26 2HD1 ILE 26 57.976 2.497 -10.480 204 3HD1 ILE 26 3HD1 ILE 26 59.229 1.487 -9.760 205 H PHE 27 H PHE 27 61.999 1.640 -6.227 206 HA PHE 27 HA PHE 27 63.232 3.712 -4.616 207 1HB PHE 27 1HB PHE 27 62.507 0.828 -4.437 208 2HB PHE 27 2HB PHE 27 63.745 1.394 -3.317 209 HD1 PHE 27 HD1 PHE 27 61.285 3.804 -4.521 210 HD2 PHE 27 HD2 PHE 27 62.171 0.961 -1.426 211 HE1 PHE 27 HE1 PHE 27 59.531 4.815 -3.089 212 HE2 PHE 27 HE2 PHE 27 60.418 1.972 0.007 213 HZ PHE 27 HZ PHE 27 59.097 3.899 -0.825 214 H VAL 28 H VAL 28 64.434 1.088 -6.646 215 HA VAL 28 HA VAL 28 67.245 1.772 -5.860 216 HB VAL 28 HB VAL 28 67.750 -0.486 -6.550 217 1HG1 VAL 28 1HG1 VAL 28 65.715 0.114 -4.622 218 2HG1 VAL 28 2HG1 VAL 28 65.319 -1.421 -5.394 219 3HG1 VAL 28 3HG1 VAL 28 66.882 -1.208 -4.604 220 1HG2 VAL 28 1HG2 VAL 28 65.008 -0.329 -7.807 221 2HG2 VAL 28 2HG2 VAL 28 66.543 -0.738 -8.574 222 3HG2 VAL 28 3HG2 VAL 28 65.774 -1.883 -7.474 223 H LEU 29 H LEU 29 65.307 3.031 -7.958 224 HA LEU 29 HA LEU 29 66.145 2.417 -10.590 225 1HB LEU 29 1HB LEU 29 64.436 4.161 -9.336 226 2HB LEU 29 2HB LEU 29 65.671 5.264 -9.948 227 HG LEU 29 HG LEU 29 64.092 3.241 -11.562 228 1HD1 LEU 29 1HD1 LEU 29 64.064 6.233 -11.263 229 2HD1 LEU 29 2HD1 LEU 29 63.567 5.497 -12.788 230 3HD1 LEU 29 3HD1 LEU 29 62.705 5.109 -11.299 231 1HD2 LEU 29 1HD2 LEU 29 66.469 4.981 -12.233 232 2HD2 LEU 29 2HD2 LEU 29 66.257 3.255 -12.531 233 3HD2 LEU 29 3HD2 LEU 29 65.349 4.431 -13.481 234 H GLY 30 H GLY 30 68.485 2.044 -10.444 235 1HA GLY 30 1HA GLY 30 70.380 3.397 -11.468 236 2HA GLY 30 2HA GLY 30 70.066 4.571 -10.189 237 H ALA 31 H ALA 31 69.504 1.693 -8.746 238 HA ALA 31 HA ALA 31 71.847 1.756 -7.111 239 1HB ALA 31 1HB ALA 31 69.706 -0.299 -7.701 240 2HB ALA 31 2HB ALA 31 70.950 -0.566 -6.481 241 3HB ALA 31 3HB ALA 31 69.819 0.776 -6.309 242 H GLU 32 H GLU 32 73.314 -0.267 -6.918 243 HA GLU 32 HA GLU 32 74.427 -0.854 -9.615 244 1HB GLU 32 1HB GLU 32 75.756 0.100 -7.676 245 2HB GLU 32 2HB GLU 32 75.528 -1.442 -6.851 246 1HG GLU 32 1HG GLU 32 77.375 -2.161 -7.928 247 2HG GLU 32 2HG GLU 32 76.405 -2.162 -9.400 248 H ASP 33 H ASP 33 73.425 -2.559 -6.633 249 HA ASP 33 HA ASP 33 73.461 -5.135 -8.154 250 1HB ASP 33 1HB ASP 33 74.662 -4.578 -5.871 251 2HB ASP 33 2HB ASP 33 73.057 -4.844 -5.188 252 H GLY 34 H GLY 34 71.412 -3.117 -6.045 253 1HA GLY 34 1HA GLY 34 68.992 -3.125 -7.063 254 2HA GLY 34 2HA GLY 34 69.083 -4.851 -6.708 255 H CYS 35 H CYS 35 70.248 -2.054 -4.827 256 HA CYS 35 HA CYS 35 68.383 -2.882 -2.627 257 1HB CYS 35 1HB CYS 35 71.250 -1.936 -2.337 258 2HB CYS 35 2HB CYS 35 70.224 -2.626 -1.079 259 HG CYS 35 HG CYS 35 71.948 -4.386 -2.354 260 H ILE 36 H ILE 36 68.932 -0.889 -0.821 261 HA ILE 36 HA ILE 36 68.492 1.653 -2.355 262 HB ILE 36 HB ILE 36 67.053 0.486 0.040 263 1HG1 ILE 36 1HG1 ILE 36 65.699 1.656 -2.348 264 2HG1 ILE 36 2HG1 ILE 36 66.530 0.117 -2.573 265 1HG2 ILE 36 1HG2 ILE 36 67.266 3.309 -0.956 266 2HG2 ILE 36 2HG2 ILE 36 65.727 2.749 -0.296 267 3HG2 ILE 36 3HG2 ILE 36 67.179 2.710 0.703 268 1HD1 ILE 36 1HD1 ILE 36 65.191 -0.250 -0.176 269 2HD1 ILE 36 2HD1 ILE 36 64.047 0.697 -1.127 270 3HD1 ILE 36 3HD1 ILE 36 64.651 -0.839 -1.749 271 H SER 37 H SER 37 69.125 3.591 -1.171 272 HA SER 37 HA SER 37 70.669 3.311 1.330 273 1HB SER 37 1HB SER 37 72.005 2.700 -0.860 274 2HB SER 37 2HB SER 37 72.050 4.447 -1.075 275 HG SER 37 HG SER 37 73.203 2.837 0.905 276 H THR 38 H THR 38 68.332 4.790 0.314 277 HA THR 38 HA THR 38 67.401 6.931 0.714 278 HB THR 38 HB THR 38 68.590 8.418 2.050 279 HG1 THR 38 HG1 THR 38 71.072 7.506 1.091 280 1HG2 THR 38 1HG2 THR 38 68.804 5.833 2.753 281 2HG2 THR 38 2HG2 THR 38 70.518 6.230 2.626 282 3HG2 THR 38 3HG2 THR 38 69.482 7.138 3.726 283 H LYS 39 H LYS 39 70.638 7.115 -0.839 284 HA LYS 39 HA LYS 39 70.306 9.321 -2.491 285 1HB LYS 39 1HB LYS 39 71.893 6.934 -2.350 286 2HB LYS 39 2HB LYS 39 71.444 7.202 -4.035 287 1HG LYS 39 1HG LYS 39 72.217 9.678 -2.688 288 2HG LYS 39 2HG LYS 39 73.512 8.479 -2.685 289 1HD LYS 39 1HD LYS 39 73.876 9.502 -4.741 290 2HD LYS 39 2HD LYS 39 72.818 8.174 -5.215 291 1HE LYS 39 1HE LYS 39 70.856 9.688 -5.077 292 2HE LYS 39 2HE LYS 39 71.936 11.027 -4.640 293 1HZ LYS 39 1HZ LYS 39 72.734 9.456 -6.947 294 2HZ LYS 39 2HZ LYS 39 71.338 10.400 -7.162 295 3HZ LYS 39 3HZ LYS 39 72.795 11.137 -6.705 296 H GLU 40 H GLU 40 69.010 6.037 -2.977 297 HA GLU 40 HA GLU 40 67.617 6.893 -5.457 298 1HB GLU 40 1HB GLU 40 67.478 4.213 -4.063 299 2HB GLU 40 2HB GLU 40 67.287 4.559 -5.781 300 1HG GLU 40 1HG GLU 40 69.865 4.946 -4.237 301 2HG GLU 40 2HG GLU 40 69.501 3.536 -5.234 302 H LEU 41 H LEU 41 66.925 5.785 -2.155 303 HA LEU 41 HA LEU 41 64.086 5.638 -2.328 304 1HB LEU 41 1HB LEU 41 65.839 4.935 -0.516 305 2HB LEU 41 2HB LEU 41 65.608 6.570 0.102 306 HG LEU 41 HG LEU 41 64.056 5.160 1.274 307 1HD1 LEU 41 1HD1 LEU 41 63.271 7.390 0.232 308 2HD1 LEU 41 2HD1 LEU 41 62.389 6.387 -0.919 309 3HD1 LEU 41 3HD1 LEU 41 62.028 6.277 0.804 310 1HD2 LEU 41 1HD2 LEU 41 63.542 4.067 -1.482 311 2HD2 LEU 41 2HD2 LEU 41 63.864 3.193 0.014 312 3HD2 LEU 41 3HD2 LEU 41 62.291 3.945 -0.245 313 H GLY 42 H GLY 42 66.090 8.313 -1.011 314 1HA GLY 42 1HA GLY 42 64.052 10.180 -0.576 315 2HA GLY 42 2HA GLY 42 65.697 10.633 -1.030 316 H LYS 43 H LYS 43 65.688 9.365 -3.618 317 HA LYS 43 HA LYS 43 64.826 11.398 -5.321 318 1HB LYS 43 1HB LYS 43 65.841 8.754 -5.471 319 2HB LYS 43 2HB LYS 43 64.447 8.813 -6.550 320 1HG LYS 43 1HG LYS 43 65.369 10.558 -7.843 321 2HG LYS 43 2HG LYS 43 66.529 10.993 -6.588 322 1HD LYS 43 1HD LYS 43 68.030 9.704 -7.653 323 2HD LYS 43 2HD LYS 43 67.074 8.307 -7.154 324 1HE LYS 43 1HE LYS 43 66.843 9.856 -9.756 325 2HE LYS 43 2HE LYS 43 67.260 8.143 -9.546 326 1HZ LYS 43 1HZ LYS 43 65.021 8.129 -8.231 327 2HZ LYS 43 2HZ LYS 43 64.666 9.476 -9.204 328 3HZ LYS 43 3HZ LYS 43 65.019 7.981 -9.924 329 H VAL 44 H VAL 44 62.920 8.777 -3.918 330 HA VAL 44 HA VAL 44 60.568 9.313 -5.588 331 HB VAL 44 HB VAL 44 61.227 7.582 -3.198 332 1HG1 VAL 44 1HG1 VAL 44 58.613 8.470 -4.145 333 2HG1 VAL 44 2HG1 VAL 44 58.780 6.716 -4.217 334 3HG1 VAL 44 3HG1 VAL 44 59.026 7.564 -2.690 335 1HG2 VAL 44 1HG2 VAL 44 60.744 7.175 -6.144 336 2HG2 VAL 44 2HG2 VAL 44 62.097 6.616 -5.160 337 3HG2 VAL 44 3HG2 VAL 44 60.518 5.842 -5.012 338 H MET 45 H MET 45 61.687 10.103 -2.319 339 HA MET 45 HA MET 45 59.352 11.073 -1.119 340 1HB MET 45 1HB MET 45 62.169 12.211 -1.072 341 2HB MET 45 2HB MET 45 60.931 12.521 0.144 342 1HG MET 45 1HG MET 45 62.159 9.835 -0.540 343 2HG MET 45 2HG MET 45 62.373 10.743 0.956 344 1HE MET 45 1HE MET 45 60.614 8.717 -1.291 345 2HE MET 45 2HE MET 45 59.498 7.756 -0.310 346 3HE MET 45 3HE MET 45 58.930 9.211 -1.127 347 H ARG 46 H ARG 46 61.663 13.038 -3.060 348 HA ARG 46 HA ARG 46 60.324 15.472 -3.115 349 1HB ARG 46 1HB ARG 46 61.338 15.665 -5.433 350 2HB ARG 46 2HB ARG 46 62.464 15.124 -4.188 351 1HG ARG 46 1HG ARG 46 62.272 12.834 -4.893 352 2HG ARG 46 2HG ARG 46 60.927 13.218 -5.967 353 1HD ARG 46 1HD ARG 46 63.725 14.363 -6.286 354 2HD ARG 46 2HD ARG 46 63.097 12.980 -7.205 355 HE ARG 46 HE ARG 46 61.126 14.840 -7.575 356 1HH1 ARG 46 1HH1 ARG 46 63.694 14.074 -9.333 357 2HH1 ARG 46 2HH1 ARG 46 64.088 15.659 -9.907 358 1HH2 ARG 46 1HH2 ARG 46 62.002 17.280 -7.659 359 2HH2 ARG 46 2HH2 ARG 46 63.131 17.475 -8.958 360 H MET 47 H MET 47 59.532 12.528 -4.927 361 HA MET 47 HA MET 47 57.342 13.833 -6.405 362 1HB MET 47 1HB MET 47 58.234 10.944 -6.093 363 2HB MET 47 2HB MET 47 57.050 11.516 -7.269 364 1HG MET 47 1HG MET 47 58.906 13.147 -8.043 365 2HG MET 47 2HG MET 47 60.007 12.096 -7.150 366 1HE MET 47 1HE MET 47 58.103 9.480 -7.449 367 2HE MET 47 2HE MET 47 58.942 8.606 -8.729 368 3HE MET 47 3HE MET 47 59.862 9.392 -7.438 369 H LEU 48 H LEU 48 57.790 11.791 -3.566 370 HA LEU 48 HA LEU 48 55.028 11.071 -3.166 371 1HB LEU 48 1HB LEU 48 57.630 10.807 -1.915 372 2HB LEU 48 2HB LEU 48 56.403 11.164 -0.701 373 HG LEU 48 HG LEU 48 56.776 8.687 -1.263 374 1HD1 LEU 48 1HD1 LEU 48 54.318 10.223 -0.920 375 2HD1 LEU 48 2HD1 LEU 48 54.031 8.680 -1.724 376 3HD1 LEU 48 3HD1 LEU 48 54.816 8.719 -0.145 377 1HD2 LEU 48 1HD2 LEU 48 56.736 9.362 -3.812 378 2HD2 LEU 48 2HD2 LEU 48 56.030 7.829 -3.302 379 3HD2 LEU 48 3HD2 LEU 48 54.989 9.217 -3.620 380 H GLY 49 H GLY 49 56.643 14.051 -2.889 381 1HA GLY 49 1HA GLY 49 55.423 16.094 -2.394 382 2HA GLY 49 2HA GLY 49 54.352 15.160 -1.348 383 H GLN 50 H GLN 50 57.765 14.567 -1.143 384 HA GLN 50 HA GLN 50 58.098 16.415 1.155 385 1HB GLN 50 1HB GLN 50 57.613 13.499 1.264 386 2HB GLN 50 2HB GLN 50 58.971 14.056 2.244 387 1HG GLN 50 1HG GLN 50 57.322 14.461 3.780 388 2HG GLN 50 2HG GLN 50 57.151 15.960 2.864 389 1HE2 GLN 50 2HE2 GLN 50 54.816 15.988 3.442 390 2HE2 GLN 50 1HE2 GLN 50 53.729 14.964 2.635 391 H ASN 51 H ASN 51 60.448 15.364 2.180 392 HA ASN 51 HA ASN 51 62.362 14.486 0.223 393 1HB ASN 51 1HB ASN 51 61.483 17.093 -0.132 394 2HB ASN 51 2HB ASN 51 62.987 17.302 0.766 395 1HD2 ASN 51 2HD2 ASN 51 64.510 17.832 -0.834 396 2HD2 ASN 51 1HD2 ASN 51 64.777 16.921 -2.241 397 HA PRO 52 HA PRO 52 63.720 14.472 4.618 398 1HB PRO 52 1HB PRO 52 64.573 11.874 4.602 399 2HB PRO 52 2HB PRO 52 62.890 12.334 4.924 400 1HG PRO 52 1HG PRO 52 64.117 11.260 2.440 401 2HG PRO 52 2HG PRO 52 62.516 10.959 3.133 402 1HD PRO 52 1HD PRO 52 62.995 12.657 1.028 403 2HD PRO 52 2HD PRO 52 61.596 12.781 2.116 404 H THR 53 H THR 53 65.947 14.310 5.417 405 HA THR 53 HA THR 53 67.951 14.913 3.354 406 HB THR 53 HB THR 53 69.295 14.926 5.686 407 HG1 THR 53 HG1 THR 53 67.714 14.103 6.964 408 1HG2 THR 53 1HG2 THR 53 67.351 16.891 4.513 409 2HG2 THR 53 2HG2 THR 53 68.175 17.273 6.025 410 3HG2 THR 53 3HG2 THR 53 69.112 16.965 4.563 411 HA PRO 54 HA PRO 54 69.930 10.997 3.223 412 1HB PRO 54 1HB PRO 54 72.590 11.619 3.382 413 2HB PRO 54 2HB PRO 54 71.604 11.953 1.944 414 1HG PRO 54 1HG PRO 54 72.477 13.796 4.110 415 2HG PRO 54 2HG PRO 54 72.331 14.087 2.370 416 1HD PRO 54 1HD PRO 54 70.491 14.930 4.205 417 2HD PRO 54 2HD PRO 54 70.102 14.578 2.508 418 H GLU 55 H GLU 55 70.722 13.088 5.930 419 HA GLU 55 HA GLU 55 72.069 11.037 7.508 420 1HB GLU 55 1HB GLU 55 71.794 13.792 7.518 421 2HB GLU 55 2HB GLU 55 70.824 13.302 8.907 422 1HG GLU 55 1HG GLU 55 73.570 12.143 8.491 423 2HG GLU 55 2HG GLU 55 73.376 13.720 9.255 424 H GLU 56 H GLU 56 68.756 12.276 7.230 425 HA GLU 56 HA GLU 56 67.831 10.594 9.484 426 1HB GLU 56 1HB GLU 56 67.114 13.029 8.405 427 2HB GLU 56 2HB GLU 56 65.872 11.956 7.756 428 1HG GLU 56 1HG GLU 56 64.949 11.566 9.807 429 2HG GLU 56 2HG GLU 56 66.514 11.564 10.621 430 H LEU 57 H LEU 57 67.619 10.721 5.940 431 HA LEU 57 HA LEU 57 65.649 8.892 5.305 432 1HB LEU 57 1HB LEU 57 68.327 9.629 4.254 433 2HB LEU 57 2HB LEU 57 67.649 8.126 3.629 434 HG LEU 57 HG LEU 57 65.901 10.558 3.753 435 1HD1 LEU 57 1HD1 LEU 57 68.364 10.340 2.226 436 2HD1 LEU 57 2HD1 LEU 57 66.966 10.468 1.158 437 3HD1 LEU 57 3HD1 LEU 57 67.264 11.710 2.374 438 1HD2 LEU 57 1HD2 LEU 57 65.384 8.036 3.026 439 2HD2 LEU 57 2HD2 LEU 57 64.630 9.402 2.203 440 3HD2 LEU 57 3HD2 LEU 57 66.034 8.608 1.490 441 H GLN 58 H GLN 58 68.889 8.152 6.574 442 HA GLN 58 HA GLN 58 69.039 5.390 6.331 443 1HB GLN 58 1HB GLN 58 70.307 7.420 7.716 444 2HB GLN 58 2HB GLN 58 69.698 6.395 9.015 445 1HG GLN 58 1HG GLN 58 71.197 5.269 6.644 446 2HG GLN 58 2HG GLN 58 72.020 5.805 8.109 447 1HE2 GLN 58 2HE2 GLN 58 71.889 3.019 7.155 448 2HE2 GLN 58 1HE2 GLN 58 71.081 2.133 8.355 449 H GLU 59 H GLU 59 66.935 7.252 8.469 450 HA GLU 59 HA GLU 59 66.116 5.230 10.281 451 1HB GLU 59 1HB GLU 59 65.597 7.663 10.392 452 2HB GLU 59 2HB GLU 59 64.512 7.477 9.013 453 1HG GLU 59 1HG GLU 59 62.852 6.759 10.351 454 2HG GLU 59 2HG GLU 59 63.889 5.499 11.020 455 H MET 60 H MET 60 64.861 6.062 7.044 456 HA MET 60 HA MET 60 62.713 4.169 6.989 457 1HB MET 60 1HB MET 60 64.317 5.818 5.103 458 2HB MET 60 2HB MET 60 63.441 4.463 4.391 459 1HG MET 60 1HG MET 60 61.477 5.428 5.933 460 2HG MET 60 2HG MET 60 62.385 6.923 5.708 461 1HE MET 60 1HE MET 60 61.850 8.458 3.983 462 2HE MET 60 2HE MET 60 60.535 8.165 2.847 463 3HE MET 60 3HE MET 60 60.274 7.948 4.583 464 H ILE 61 H ILE 61 66.162 3.831 6.589 465 HA ILE 61 HA ILE 61 65.898 1.123 5.398 466 HB ILE 61 HB ILE 61 68.178 3.027 5.985 467 1HG1 ILE 61 1HG1 ILE 61 68.292 2.582 3.359 468 2HG1 ILE 61 2HG1 ILE 61 66.590 2.185 3.594 469 1HG2 ILE 61 1HG2 ILE 61 68.276 0.179 5.755 470 2HG2 ILE 61 2HG2 ILE 61 68.975 0.869 4.291 471 3HG2 ILE 61 3HG2 ILE 61 69.625 1.309 5.870 472 1HD1 ILE 61 1HD1 ILE 61 67.821 4.737 4.649 473 2HD1 ILE 61 2HD1 ILE 61 67.090 4.627 3.047 474 3HD1 ILE 61 3HD1 ILE 61 66.108 4.347 4.485 475 H ASP 62 H ASP 62 67.205 2.720 8.315 476 HA ASP 62 HA ASP 62 68.184 0.314 9.563 477 1HB ASP 62 1HB ASP 62 69.031 2.430 10.255 478 2HB ASP 62 2HB ASP 62 67.411 3.085 10.492 479 H GLU 63 H GLU 63 64.996 1.565 9.146 480 HA GLU 63 HA GLU 63 63.779 0.485 11.540 481 1HB GLU 63 1HB GLU 63 62.997 1.687 8.945 482 2HB GLU 63 2HB GLU 63 61.782 0.650 9.694 483 1HG GLU 63 1HG GLU 63 62.062 1.942 11.821 484 2HG GLU 63 2HG GLU 63 63.151 3.037 10.967 485 H VAL 64 H VAL 64 64.863 -0.936 8.574 486 HA VAL 64 HA VAL 64 63.659 -3.541 9.411 487 HB VAL 64 HB VAL 64 62.992 -3.890 7.034 488 1HG1 VAL 64 1HG1 VAL 64 61.945 -1.400 8.410 489 2HG1 VAL 64 2HG1 VAL 64 61.164 -2.149 7.017 490 3HG1 VAL 64 3HG1 VAL 64 61.300 -3.036 8.535 491 1HG2 VAL 64 1HG2 VAL 64 64.802 -1.995 6.417 492 2HG2 VAL 64 2HG2 VAL 64 63.429 -2.357 5.371 493 3HG2 VAL 64 3HG2 VAL 64 63.359 -0.983 6.474 494 H ASP 65 H ASP 65 66.412 -2.526 9.609 495 HA ASP 65 HA ASP 65 67.837 -4.067 7.485 496 1HB ASP 65 1HB ASP 65 68.390 -1.670 8.021 497 2HB ASP 65 2HB ASP 65 68.884 -2.196 9.631 498 H GLU 66 H GLU 66 67.328 -6.189 8.424 499 HA GLU 66 HA GLU 66 68.436 -6.746 11.128 500 1HB GLU 66 1HB GLU 66 67.194 -8.841 10.868 501 2HB GLU 66 2HB GLU 66 66.154 -7.488 10.423 502 1HG GLU 66 1HG GLU 66 67.326 -8.034 8.023 503 2HG GLU 66 2HG GLU 66 67.262 -9.647 8.733 504 H ASP 67 H ASP 67 70.020 -6.301 8.488 505 HA ASP 67 HA ASP 67 71.592 -8.853 8.647 506 1HB ASP 67 1HB ASP 67 72.003 -8.536 6.227 507 2HB ASP 67 2HB ASP 67 70.274 -8.623 6.563 508 H GLY 68 H GLY 68 71.589 -5.507 9.120 509 1HA GLY 68 1HA GLY 68 73.308 -3.985 9.586 510 2HA GLY 68 2HA GLY 68 74.344 -5.389 9.842 511 H SER 69 H SER 69 72.668 -4.283 6.890 512 HA SER 69 HA SER 69 75.323 -4.338 5.504 513 1HB SER 69 1HB SER 69 74.095 -4.972 3.574 514 2HB SER 69 2HB SER 69 73.304 -5.840 4.888 515 HG SER 69 HG SER 69 71.652 -4.418 4.842 516 H GLY 70 H GLY 70 72.459 -2.380 6.155 517 1HA GLY 70 1HA GLY 70 72.612 0.048 6.242 518 2HA GLY 70 2HA GLY 70 73.916 -0.026 5.057 519 H THR 71 H THR 71 72.552 -1.905 3.294 520 HA THR 71 HA THR 71 70.643 0.020 2.050 521 HB THR 71 HB THR 71 71.102 -1.420 0.037 522 HG1 THR 71 HG1 THR 71 73.153 -2.737 0.610 523 1HG2 THR 71 1HG2 THR 71 73.453 -0.264 1.550 524 2HG2 THR 71 2HG2 THR 71 73.529 -0.760 -0.141 525 3HG2 THR 71 3HG2 THR 71 72.454 0.551 0.348 526 H VAL 72 H VAL 72 68.596 -0.782 1.233 527 HA VAL 72 HA VAL 72 67.529 -3.064 2.824 528 HB VAL 72 HB VAL 72 66.372 -0.700 1.336 529 1HG1 VAL 72 1HG1 VAL 72 64.991 -2.760 0.921 530 2HG1 VAL 72 2HG1 VAL 72 64.804 -2.931 2.667 531 3HG1 VAL 72 3HG1 VAL 72 64.142 -1.519 1.841 532 1HG2 VAL 72 1HG2 VAL 72 67.256 -1.052 3.934 533 2HG2 VAL 72 2HG2 VAL 72 66.117 0.189 3.409 534 3HG2 VAL 72 3HG2 VAL 72 65.520 -1.332 4.076 535 H ASP 73 H ASP 73 66.187 -4.674 1.727 536 HA ASP 73 HA ASP 73 66.551 -4.851 -1.235 537 1HB ASP 73 1HB ASP 73 68.246 -6.112 0.351 538 2HB ASP 73 2HB ASP 73 66.913 -7.253 0.531 539 H PHE 74 H PHE 74 65.208 -6.925 -1.975 540 HA PHE 74 HA PHE 74 62.469 -6.493 -1.579 541 1HB PHE 74 1HB PHE 74 64.243 -8.460 -2.743 542 2HB PHE 74 2HB PHE 74 62.867 -9.268 -1.993 543 HD1 PHE 74 HD1 PHE 74 60.826 -7.047 -2.326 544 HD2 PHE 74 HD2 PHE 74 63.694 -8.723 -5.050 545 HE1 PHE 74 HE1 PHE 74 59.395 -6.384 -4.241 546 HE2 PHE 74 HE2 PHE 74 62.263 -8.061 -6.965 547 HZ PHE 74 HZ PHE 74 60.113 -6.891 -6.560 548 H ASP 75 H ASP 75 64.753 -8.074 0.515 549 HA ASP 75 HA ASP 75 62.765 -9.559 2.071 550 1HB ASP 75 1HB ASP 75 65.144 -10.231 1.731 551 2HB ASP 75 2HB ASP 75 65.651 -8.809 2.642 552 H GLU 76 H GLU 76 64.892 -6.756 2.794 553 HA GLU 76 HA GLU 76 63.456 -6.123 5.251 554 1HB GLU 76 1HB GLU 76 65.471 -4.591 3.572 555 2HB GLU 76 2HB GLU 76 65.009 -4.185 5.225 556 1HG GLU 76 1HG GLU 76 66.023 -6.109 6.118 557 2HG GLU 76 2HG GLU 76 66.036 -6.936 4.560 558 H PHE 77 H PHE 77 63.493 -4.858 1.926 559 HA PHE 77 HA PHE 77 61.917 -2.526 2.321 560 1HB PHE 77 1HB PHE 77 63.039 -2.840 0.257 561 2HB PHE 77 2HB PHE 77 62.379 -4.462 0.050 562 HD1 PHE 77 HD1 PHE 77 61.313 -0.879 0.316 563 HD2 PHE 77 HD2 PHE 77 60.461 -4.785 -1.254 564 HE1 PHE 77 HE1 PHE 77 59.414 0.055 -0.977 565 HE2 PHE 77 HE2 PHE 77 58.562 -3.852 -2.548 566 HZ PHE 77 HZ PHE 77 58.039 -1.432 -2.410 567 H LEU 78 H LEU 78 60.862 -5.827 1.388 568 HA LEU 78 HA LEU 78 58.102 -5.417 1.192 569 1HB LEU 78 1HB LEU 78 59.977 -7.603 1.755 570 2HB LEU 78 2HB LEU 78 58.375 -7.878 2.441 571 HG LEU 78 HG LEU 78 58.876 -7.076 -0.437 572 1HD1 LEU 78 1HD1 LEU 78 59.259 -9.591 0.823 573 2HD1 LEU 78 2HD1 LEU 78 57.762 -9.706 -0.103 574 3HD1 LEU 78 3HD1 LEU 78 59.262 -9.242 -0.906 575 1HD2 LEU 78 1HD2 LEU 78 56.499 -7.427 1.276 576 2HD2 LEU 78 2HD2 LEU 78 56.675 -6.527 -0.230 577 3HD2 LEU 78 3HD2 LEU 78 56.408 -8.270 -0.270 578 H VAL 79 H VAL 79 59.835 -6.434 4.169 579 HA VAL 79 HA VAL 79 57.683 -6.354 5.970 580 HB VAL 79 HB VAL 79 60.532 -5.432 6.464 581 1HG1 VAL 79 1HG1 VAL 79 58.476 -5.446 8.215 582 2HG1 VAL 79 2HG1 VAL 79 59.003 -7.120 8.376 583 3HG1 VAL 79 3HG1 VAL 79 60.135 -5.805 8.692 584 1HG2 VAL 79 1HG2 VAL 79 59.553 -7.927 5.442 585 2HG2 VAL 79 2HG2 VAL 79 61.209 -7.497 5.872 586 3HG2 VAL 79 3HG2 VAL 79 60.134 -8.187 7.087 587 H MET 80 H MET 80 59.749 -3.667 4.861 588 HA MET 80 HA MET 80 58.890 -1.610 6.570 589 1HB MET 80 1HB MET 80 60.250 -1.959 4.073 590 2HB MET 80 2HB MET 80 59.116 -0.619 3.898 591 1HG MET 80 1HG MET 80 60.381 -0.401 6.459 592 2HG MET 80 2HG MET 80 61.633 -0.617 5.237 593 1HE MET 80 1HE MET 80 60.435 0.243 2.786 594 2HE MET 80 2HE MET 80 60.479 1.997 2.561 595 3HE MET 80 3HE MET 80 61.931 1.132 3.063 596 H MET 81 H MET 81 57.121 -3.224 4.024 597 HA MET 81 HA MET 81 55.063 -1.117 3.847 598 1HB MET 81 1HB MET 81 55.578 -3.821 2.605 599 2HB MET 81 2HB MET 81 54.050 -2.978 2.345 600 1HG MET 81 1HG MET 81 56.797 -1.838 1.748 601 2HG MET 81 2HG MET 81 55.677 -2.477 0.545 602 1HE MET 81 1HE MET 81 56.592 -0.416 -0.291 603 2HE MET 81 2HE MET 81 55.245 0.637 -0.718 604 3HE MET 81 3HE MET 81 56.457 1.176 0.450 605 H VAL 82 H VAL 82 55.370 -4.430 5.141 606 HA VAL 82 HA VAL 82 52.655 -4.744 5.988 607 HB VAL 82 HB VAL 82 55.118 -5.860 7.350 608 1HG1 VAL 82 1HG1 VAL 82 52.311 -6.878 6.830 609 2HG1 VAL 82 2HG1 VAL 82 53.611 -7.883 7.469 610 3HG1 VAL 82 3HG1 VAL 82 53.035 -6.496 8.393 611 1HG2 VAL 82 1HG2 VAL 82 54.013 -6.357 4.606 612 2HG2 VAL 82 2HG2 VAL 82 55.693 -6.315 5.142 613 3HG2 VAL 82 3HG2 VAL 82 54.686 -7.715 5.507 614 H ARG 83 H ARG 83 55.508 -3.380 7.630 615 HA ARG 83 HA ARG 83 54.363 -3.001 10.209 616 1HB ARG 83 1HB ARG 83 56.548 -1.756 8.564 617 2HB ARG 83 2HB ARG 83 56.139 -1.052 10.129 618 1HG ARG 83 1HG ARG 83 56.287 -3.541 10.968 619 2HG ARG 83 2HG ARG 83 57.258 -3.769 9.514 620 1HD ARG 83 1HD ARG 83 59.041 -2.858 10.568 621 2HD ARG 83 2HD ARG 83 58.126 -1.356 10.814 622 HE ARG 83 HE ARG 83 57.093 -2.559 12.833 623 1HH1 ARG 83 1HH2 ARG 83 60.016 -1.664 13.159 624 2HH1 ARG 83 2HH2 ARG 83 60.697 -3.066 13.913 625 1HH2 ARG 83 1HH1 ARG 83 58.031 -5.127 13.103 626 2HH2 ARG 83 2HH1 ARG 83 59.576 -5.025 13.879 627 H CYS 84 H CYS 84 54.062 -1.145 7.228 628 HA CYS 84 HA CYS 84 52.454 0.921 8.682 629 1HB CYS 84 1HB CYS 84 53.716 0.912 5.920 630 2HB CYS 84 2HB CYS 84 52.944 2.294 6.696 631 HG CYS 84 HG CYS 84 54.944 2.622 8.167 632 H MET 85 H MET 85 51.517 -1.824 7.814 633 HA MET 85 HA MET 85 49.976 -1.954 5.515 634 1HB MET 85 1HB MET 85 49.865 -2.988 8.277 635 2HB MET 85 2HB MET 85 48.316 -3.019 7.434 636 1HG MET 85 1HG MET 85 50.792 -4.015 6.050 637 2HG MET 85 2HG MET 85 49.937 -5.060 7.186 638 1HE MET 85 1HE MET 85 50.297 -3.283 4.159 639 2HE MET 85 2HE MET 85 50.058 -4.828 3.345 640 3HE MET 85 3HE MET 85 48.891 -3.516 3.123 641 H LYS 86 H LYS 86 48.156 -1.289 8.471 642 HA LYS 86 HA LYS 86 46.843 1.025 7.080 643 1HB LYS 86 1HB LYS 86 45.785 -1.479 7.646 644 2HB LYS 86 2HB LYS 86 45.213 -0.492 8.992 645 1HG LYS 86 1HG LYS 86 44.426 1.213 7.317 646 2HG LYS 86 2HG LYS 86 44.839 0.070 6.038 647 1HD LYS 86 1HD LYS 86 43.342 -1.453 7.827 648 2HD LYS 86 2HD LYS 86 42.515 0.105 7.802 649 1HE LYS 86 1HE LYS 86 43.119 -0.362 5.115 650 2HE LYS 86 2HE LYS 86 42.609 -1.947 5.730 651 1HZ LYS 86 1HZ LYS 86 41.162 0.600 6.234 652 2HZ LYS 86 2HZ LYS 86 40.718 -0.529 5.048 653 3HZ LYS 86 3HZ LYS 86 40.662 -0.959 6.691 654 H ASP 87 H ASP 87 46.266 2.776 8.454 655 HA ASP 87 HA ASP 87 47.732 2.891 11.018 656 1HB ASP 87 1HB ASP 87 47.815 4.710 9.340 657 2HB ASP 87 2HB ASP 87 46.068 4.916 9.481 658 H ASP 88 H ASP 88 46.710 2.365 12.910 659 HA ASP 88 HA ASP 88 43.883 3.144 13.321 660 1HB ASP 88 1HB ASP 88 44.290 0.767 12.197 661 2HB ASP 88 2HB ASP 88 44.620 0.290 13.864 662 H SER 89 H SER 89 46.631 3.691 14.502 663 HA SER 89 HA SER 89 46.476 2.469 17.191 664 1HB SER 89 1HB SER 89 48.536 4.071 17.402 665 2HB SER 89 2HB SER 89 48.662 2.664 16.349 666 HG SER 89 HG SER 89 47.866 5.261 15.513 667 1H ARG 1 1H ARG 1 54.401 3.740 6.185 668 2H ARG 1 2H ARG 1 53.619 3.896 7.685 669 3H ARG 1 3H ARG 1 52.850 4.422 6.263 670 HA ARG 1 HA ARG 1 53.636 6.380 7.309 671 1HB ARG 1 1HB ARG 1 55.200 4.724 8.655 672 2HB ARG 1 2HB ARG 1 56.391 5.192 7.442 673 1HG ARG 1 1HG ARG 1 54.839 7.409 8.666 674 2HG ARG 1 2HG ARG 1 55.993 6.593 9.721 675 1HD ARG 1 1HD ARG 1 57.622 6.869 7.649 676 2HD ARG 1 2HD ARG 1 56.512 8.190 7.232 677 HE ARG 1 HE ARG 1 57.511 8.061 10.027 678 1HH1 ARG 1 1HH2 ARG 1 59.726 8.953 8.265 679 2HH1 ARG 1 2HH2 ARG 1 59.486 10.666 8.192 680 1HH2 ARG 1 1HH1 ARG 1 56.222 10.526 9.355 681 2HH2 ARG 1 2HH1 ARG 1 57.503 11.556 8.808 682 H ILE 2 H ILE 2 53.887 4.852 4.562 683 HA ILE 2 HA ILE 2 55.849 6.741 3.304 684 HB ILE 2 HB ILE 2 54.754 4.122 2.240 685 1HG1 ILE 2 1HG1 ILE 2 55.968 3.902 4.455 686 2HG1 ILE 2 2HG1 ILE 2 56.723 3.035 3.116 687 1HG2 ILE 2 1HG2 ILE 2 55.809 5.781 0.650 688 2HG2 ILE 2 2HG2 ILE 2 57.304 5.617 1.572 689 3HG2 ILE 2 3HG2 ILE 2 56.631 4.222 0.727 690 1HD1 ILE 2 1HD1 ILE 2 57.532 5.805 4.047 691 2HD1 ILE 2 2HD1 ILE 2 58.377 4.317 4.472 692 3HD1 ILE 2 3HD1 ILE 2 58.323 4.850 2.792 693 H SER 3 H SER 3 53.033 7.392 3.950 694 HA SER 3 HA SER 3 51.074 8.209 2.886 695 1HB SER 3 1HB SER 3 53.446 9.317 1.921 696 2HB SER 3 2HB SER 3 52.538 8.936 0.461 697 HG SER 3 HG SER 3 50.729 10.007 1.554 698 H ALA 4 H ALA 4 50.577 5.734 2.595 699 HA ALA 4 HA ALA 4 50.953 4.287 0.225 700 1HB ALA 4 1HB ALA 4 49.320 4.253 2.564 701 2HB ALA 4 2HB ALA 4 48.269 3.949 1.182 702 3HB ALA 4 3HB ALA 4 49.667 2.914 1.471 703 H ASP 5 H ASP 5 48.657 6.913 0.872 704 HA ASP 5 HA ASP 5 47.210 6.569 -1.643 705 1HB ASP 5 1HB ASP 5 46.195 8.741 -0.887 706 2HB ASP 5 2HB ASP 5 46.152 7.485 0.350 707 H ALA 6 H ALA 6 49.726 8.793 -0.431 708 HA ALA 6 HA ALA 6 49.852 10.247 -2.981 709 1HB ALA 6 1HB ALA 6 50.208 11.158 -0.625 710 2HB ALA 6 2HB ALA 6 51.753 10.306 -0.624 711 3HB ALA 6 3HB ALA 6 51.454 11.590 -1.795 712 H MET 7 H MET 7 51.053 7.284 -1.915 713 HA MET 7 HA MET 7 53.716 7.361 -3.068 714 1HB MET 7 1HB MET 7 52.202 5.708 -1.430 715 2HB MET 7 2HB MET 7 52.365 4.763 -2.910 716 1HG MET 7 1HG MET 7 54.889 6.000 -2.312 717 2HG MET 7 2HG MET 7 54.312 5.149 -0.879 718 1HE MET 7 1HE MET 7 55.714 5.246 -4.166 719 2HE MET 7 2HE MET 7 56.919 4.358 -3.221 720 3HE MET 7 3HE MET 7 56.147 3.596 -4.608 721 H MET 8 H MET 8 50.666 5.813 -4.164 722 HA MET 8 HA MET 8 51.763 5.210 -6.800 723 1HB MET 8 1HB MET 8 49.191 4.929 -5.303 724 2HB MET 8 2HB MET 8 49.124 4.820 -7.062 725 1HG MET 8 1HG MET 8 49.477 2.587 -6.308 726 2HG MET 8 2HG MET 8 51.050 3.139 -6.883 727 1HE MET 8 1HE MET 8 52.830 3.218 -6.012 728 2HE MET 8 2HE MET 8 53.030 4.231 -4.577 729 3HE MET 8 3HE MET 8 53.343 2.500 -4.489 730 H GLN 9 H GLN 9 49.826 7.799 -5.387 731 HA GLN 9 HA GLN 9 48.849 8.949 -7.832 732 1HB GLN 9 1HB GLN 9 48.653 9.342 -5.072 733 2HB GLN 9 2HB GLN 9 49.406 10.824 -5.664 734 1HG GLN 9 1HG GLN 9 47.483 11.519 -6.612 735 2HG GLN 9 2HG GLN 9 47.246 9.966 -7.412 736 1HE2 GLN 9 2HE2 GLN 9 46.380 8.158 -5.903 737 2HE2 GLN 9 1HE2 GLN 9 45.266 8.618 -4.708 738 H ALA 10 H ALA 10 51.893 9.294 -6.057 739 HA ALA 10 HA ALA 10 52.800 11.545 -7.723 740 1HB ALA 10 1HB ALA 10 53.690 9.978 -5.358 741 2HB ALA 10 2HB ALA 10 54.969 10.709 -6.328 742 3HB ALA 10 3HB ALA 10 53.711 11.722 -5.621 743 H LEU 11 H LEU 11 53.964 8.190 -7.166 744 HA LEU 11 HA LEU 11 55.013 8.221 -9.978 745 1HB LEU 11 1HB LEU 11 56.766 6.613 -8.885 746 2HB LEU 11 2HB LEU 11 56.927 8.348 -8.613 747 HG LEU 11 HG LEU 11 55.300 6.686 -6.707 748 1HD1 LEU 11 1HD1 LEU 11 57.941 6.055 -7.256 749 2HD1 LEU 11 2HD1 LEU 11 58.079 7.169 -5.896 750 3HD1 LEU 11 3HD1 LEU 11 57.104 5.707 -5.743 751 1HD2 LEU 11 1HD2 LEU 11 56.138 9.401 -6.946 752 2HD2 LEU 11 2HD2 LEU 11 55.202 8.670 -5.642 753 3HD2 LEU 11 3HD2 LEU 11 56.962 8.716 -5.547 754 H LEU 12 H LEU 12 55.777 5.557 -10.122 755 HA LEU 12 HA LEU 12 54.857 3.432 -10.599 756 1HB LEU 12 1HB LEU 12 53.498 4.281 -8.027 757 2HB LEU 12 2HB LEU 12 53.311 2.665 -8.709 758 HG LEU 12 HG LEU 12 55.970 2.790 -8.809 759 1HD1 LEU 12 1HD1 LEU 12 55.129 4.812 -6.735 760 2HD1 LEU 12 2HD1 LEU 12 56.649 3.930 -6.578 761 3HD1 LEU 12 3HD1 LEU 12 56.369 4.964 -7.979 762 1HD2 LEU 12 1HD2 LEU 12 54.126 1.466 -7.279 763 2HD2 LEU 12 2HD2 LEU 12 55.870 1.236 -7.141 764 3HD2 LEU 12 3HD2 LEU 12 55.035 2.332 -6.041 765 H GLY 13 H GLY 13 53.556 5.889 -11.728 766 1HA GLY 13 1HA GLY 13 51.644 5.179 -13.381 767 2HA GLY 13 2HA GLY 13 50.716 5.004 -11.890 768 H ALA 14 H ALA 14 52.173 7.295 -14.097 769 HA ALA 14 HA ALA 14 50.517 9.445 -12.877 770 1HB ALA 14 1HB ALA 14 53.519 9.536 -13.320 771 2HB ALA 14 2HB ALA 14 52.535 10.918 -12.836 772 3HB ALA 14 3HB ALA 14 52.696 9.530 -11.760 773 H ARG 15 H ARG 15 50.695 7.848 -15.490 774 HA ARG 15 HA ARG 15 51.569 9.736 -17.532 775 1HB ARG 15 1HB ARG 15 51.501 7.214 -17.676 776 2HB ARG 15 2HB ARG 15 49.743 7.323 -17.735 777 1HG ARG 15 1HG ARG 15 50.422 9.125 -19.664 778 2HG ARG 15 2HG ARG 15 51.741 7.963 -19.820 779 1HD ARG 15 1HD ARG 15 49.767 6.189 -19.695 780 2HD ARG 15 2HD ARG 15 48.806 7.560 -20.282 781 HE ARG 15 HE ARG 15 50.982 7.688 -21.918 782 1HH1 ARG 15 1HH1 ARG 15 48.160 6.017 -21.968 783 2HH1 ARG 15 2HH1 ARG 15 48.707 4.702 -22.954 784 1HH2 ARG 15 1HH2 ARG 15 52.053 5.591 -22.741 785 2HH2 ARG 15 2HH2 ARG 15 50.913 4.461 -23.391 786 H ALA 16 H ALA 16 50.410 11.572 -17.970 787 HA ALA 16 HA ALA 16 47.443 11.361 -18.166 788 1HB ALA 16 1HB ALA 16 48.829 12.434 -15.979 789 2HB ALA 16 2HB ALA 16 48.320 13.841 -16.912 790 3HB ALA 16 3HB ALA 16 47.121 12.675 -16.350 791 H LYS 17 H LYS 17 49.338 11.515 -20.294 792 HA LYS 17 HA LYS 17 49.745 12.765 -22.259 793 1HB LYS 17 1HB LYS 17 47.135 13.052 -21.495 794 2HB LYS 17 2HB LYS 17 47.654 14.737 -21.550 795 1HG LYS 17 1HG LYS 17 48.435 14.466 -23.844 796 2HG LYS 17 2HG LYS 17 48.057 12.744 -23.800 797 1HD LYS 17 1HD LYS 17 45.795 13.093 -23.997 798 2HD LYS 17 2HD LYS 17 45.848 14.618 -23.112 799 1HE LYS 17 1HE LYS 17 46.222 15.849 -25.009 800 2HE LYS 17 2HE LYS 17 47.271 14.607 -25.722 801 1HZ LYS 17 1HZ LYS 17 44.384 14.125 -25.330 802 2HZ LYS 17 2HZ LYS 17 44.949 14.915 -26.725 803 3HZ LYS 17 3HZ LYS 17 45.457 13.331 -26.376 Start of MODEL 2 1 1H MET 1 1H MET 1 63.117 -15.575 16.169 2 2H MET 1 2H MET 1 64.643 -14.886 16.439 3 3H MET 1 3H MET 1 64.306 -16.451 17.007 4 HA MET 1 HA MET 1 63.212 -15.719 18.833 5 1HB MET 1 1HB MET 1 65.434 -14.195 17.993 6 2HB MET 1 2HB MET 1 64.276 -13.030 18.635 7 1HG MET 1 1HG MET 1 64.314 -15.314 20.364 8 2HG MET 1 2HG MET 1 65.976 -14.788 20.096 9 1HE MET 1 1HE MET 1 66.581 -12.464 19.872 10 2HE MET 1 2HE MET 1 65.227 -11.365 19.618 11 3HE MET 1 3HE MET 1 66.204 -11.247 21.089 12 H ASP 2 H ASP 2 62.679 -13.736 15.997 13 HA ASP 2 HA ASP 2 60.155 -12.701 17.252 14 1HB ASP 2 1HB ASP 2 62.311 -11.410 15.601 15 2HB ASP 2 2HB ASP 2 60.668 -10.772 15.529 16 H ASP 3 H ASP 3 58.894 -14.402 16.278 17 HA ASP 3 HA ASP 3 58.912 -14.498 13.287 18 1HB ASP 3 1HB ASP 3 57.571 -16.379 15.244 19 2HB ASP 3 2HB ASP 3 58.003 -16.697 13.564 20 H ILE 4 H ILE 4 57.689 -12.224 14.140 21 HA ILE 4 HA ILE 4 54.757 -12.857 14.181 22 HB ILE 4 HB ILE 4 56.443 -10.563 15.207 23 1HG1 ILE 4 1HG1 ILE 4 54.414 -12.373 16.558 24 2HG1 ILE 4 2HG1 ILE 4 56.160 -12.626 16.602 25 1HG2 ILE 4 1HG2 ILE 4 53.444 -10.737 14.827 26 2HG2 ILE 4 2HG2 ILE 4 54.202 -9.603 15.944 27 3HG2 ILE 4 3HG2 ILE 4 54.537 -9.495 14.215 28 1HD1 ILE 4 1HD1 ILE 4 55.255 -9.908 17.351 29 2HD1 ILE 4 2HD1 ILE 4 54.809 -11.191 18.475 30 3HD1 ILE 4 3HD1 ILE 4 56.505 -10.919 18.076 31 H TYR 5 H TYR 5 57.249 -11.765 12.190 32 HA TYR 5 HA TYR 5 55.374 -10.109 10.534 33 1HB TYR 5 1HB TYR 5 58.407 -10.247 10.625 34 2HB TYR 5 2HB TYR 5 57.460 -9.123 9.649 35 HD1 TYR 5 HD1 TYR 5 58.371 -10.090 13.112 36 HD2 TYR 5 HD2 TYR 5 56.407 -7.190 10.623 37 HE1 TYR 5 HE1 TYR 5 58.228 -8.533 15.038 38 HE2 TYR 5 HE2 TYR 5 56.264 -5.635 12.549 39 HH TYR 5 HH TYR 5 56.708 -5.321 14.694 40 H LYS 6 H LYS 6 57.992 -12.541 10.290 41 HA LYS 6 HA LYS 6 57.955 -13.124 7.569 42 1HB LYS 6 1HB LYS 6 58.622 -15.414 8.322 43 2HB LYS 6 2HB LYS 6 59.446 -14.145 9.230 44 1HG LYS 6 1HG LYS 6 58.039 -14.432 11.121 45 2HG LYS 6 2HG LYS 6 56.866 -15.375 10.202 46 1HD LYS 6 1HD LYS 6 59.583 -16.504 10.169 47 2HD LYS 6 2HD LYS 6 58.851 -16.452 11.774 48 1HE LYS 6 1HE LYS 6 57.210 -17.975 11.221 49 2HE LYS 6 2HE LYS 6 57.122 -17.418 9.537 50 1HZ LYS 6 1HZ LYS 6 59.452 -18.312 9.307 51 2HZ LYS 6 2HZ LYS 6 59.216 -19.098 10.795 52 3HZ LYS 6 3HZ LYS 6 58.232 -19.480 9.463 53 H ALA 7 H ALA 7 55.495 -13.837 9.962 54 HA ALA 7 HA ALA 7 54.056 -15.804 8.371 55 1HB ALA 7 1HB ALA 7 53.684 -14.216 10.879 56 2HB ALA 7 2HB ALA 7 52.256 -14.959 10.157 57 3HB ALA 7 3HB ALA 7 53.623 -15.963 10.643 58 H ALA 8 H ALA 8 53.821 -12.289 8.859 59 HA ALA 8 HA ALA 8 51.355 -11.978 7.356 60 1HB ALA 8 1HB ALA 8 53.352 -10.380 8.780 61 2HB ALA 8 2HB ALA 8 52.745 -9.561 7.340 62 3HB ALA 8 3HB ALA 8 51.622 -10.093 8.593 63 H VAL 9 H VAL 9 54.747 -11.088 6.592 64 HA VAL 9 HA VAL 9 54.514 -10.264 3.958 65 HB VAL 9 HB VAL 9 56.592 -12.181 5.064 66 1HG1 VAL 9 1HG1 VAL 9 56.450 -10.300 2.736 67 2HG1 VAL 9 2HG1 VAL 9 58.001 -10.528 3.545 68 3HG1 VAL 9 3HG1 VAL 9 57.167 -11.908 2.831 69 1HG2 VAL 9 1HG2 VAL 9 56.091 -9.244 5.496 70 2HG2 VAL 9 2HG2 VAL 9 56.517 -10.481 6.678 71 3HG2 VAL 9 3HG2 VAL 9 57.736 -9.878 5.556 72 H GLU 10 H GLU 10 54.925 -13.661 5.017 73 HA GLU 10 HA GLU 10 54.623 -14.812 2.400 74 1HB GLU 10 1HB GLU 10 54.715 -15.644 5.242 75 2HB GLU 10 2HB GLU 10 53.877 -16.763 4.165 76 1HG GLU 10 1HG GLU 10 55.847 -16.753 2.652 77 2HG GLU 10 2HG GLU 10 56.689 -15.694 3.783 78 H GLN 11 H GLN 11 52.344 -13.441 4.584 79 HA GLN 11 HA GLN 11 50.041 -15.025 3.683 80 1HB GLN 11 1HB GLN 11 50.690 -13.568 5.901 81 2HB GLN 11 2HB GLN 11 49.674 -12.416 5.035 82 1HG GLN 11 1HG GLN 11 47.820 -13.899 5.012 83 2HG GLN 11 2HG GLN 11 48.821 -15.282 5.453 84 1HE2 GLN 11 2HE2 GLN 11 48.908 -15.780 7.652 85 2HE2 GLN 11 1HE2 GLN 11 48.426 -14.736 8.901 86 H LEU 12 H LEU 12 51.826 -12.445 2.395 87 HA LEU 12 HA LEU 12 49.854 -10.737 1.271 88 1HB LEU 12 1HB LEU 12 52.586 -11.653 0.324 89 2HB LEU 12 2HB LEU 12 51.707 -10.303 -0.394 90 HG LEU 12 HG LEU 12 52.487 -10.508 2.528 91 1HD1 LEU 12 1HD1 LEU 12 54.028 -9.790 0.253 92 2HD1 LEU 12 2HD1 LEU 12 53.646 -8.294 1.107 93 3HD1 LEU 12 3HD1 LEU 12 54.466 -9.608 1.951 94 1HD2 LEU 12 1HD2 LEU 12 50.801 -8.659 0.924 95 2HD2 LEU 12 2HD2 LEU 12 50.710 -9.061 2.639 96 3HD2 LEU 12 3HD2 LEU 12 51.910 -7.902 2.068 97 H THR 13 H THR 13 50.015 -10.770 -1.442 98 HA THR 13 HA THR 13 49.289 -13.510 -2.370 99 HB THR 13 HB THR 13 47.396 -11.755 -3.492 100 HG1 THR 13 HG1 THR 13 46.695 -10.526 -1.879 101 1HG2 THR 13 1HG2 THR 13 47.218 -13.702 -1.179 102 2HG2 THR 13 2HG2 THR 13 45.819 -13.019 -2.008 103 3HG2 THR 13 3HG2 THR 13 46.943 -14.059 -2.884 104 H GLU 14 H GLU 14 48.876 -13.366 -4.867 105 HA GLU 14 HA GLU 14 51.202 -12.434 -6.182 106 1HB GLU 14 1HB GLU 14 49.069 -14.003 -6.770 107 2HB GLU 14 2HB GLU 14 48.653 -12.568 -7.708 108 1HG GLU 14 1HG GLU 14 51.421 -13.757 -7.840 109 2HG GLU 14 2HG GLU 14 50.118 -14.375 -8.856 110 H GLU 15 H GLU 15 47.927 -10.958 -6.174 111 HA GLU 15 HA GLU 15 48.445 -8.683 -7.730 112 1HB GLU 15 1HB GLU 15 46.626 -9.449 -5.495 113 2HB GLU 15 2HB GLU 15 46.711 -7.732 -5.893 114 1HG GLU 15 1HG GLU 15 45.192 -8.208 -7.507 115 2HG GLU 15 2HG GLU 15 46.549 -8.914 -8.384 116 H GLN 16 H GLN 16 48.772 -8.959 -4.170 117 HA GLN 16 HA GLN 16 49.756 -6.372 -3.630 118 1HB GLN 16 1HB GLN 16 49.049 -8.082 -1.982 119 2HB GLN 16 2HB GLN 16 50.485 -9.034 -2.366 120 1HG GLN 16 1HG GLN 16 51.524 -7.879 -0.727 121 2HG GLN 16 2HG GLN 16 51.511 -6.506 -1.833 122 1HE2 GLN 16 2HE2 GLN 16 51.245 -6.418 1.138 123 2HE2 GLN 16 1HE2 GLN 16 49.746 -5.683 1.449 124 H LYS 17 H LYS 17 51.720 -9.336 -4.120 125 HA LYS 17 HA LYS 17 54.285 -8.282 -4.049 126 1HB LYS 17 1HB LYS 17 52.874 -10.471 -5.487 127 2HB LYS 17 2HB LYS 17 54.488 -10.069 -6.075 128 1HG LYS 17 1HG LYS 17 55.507 -10.605 -4.031 129 2HG LYS 17 2HG LYS 17 54.001 -10.440 -3.127 130 1HD LYS 17 1HD LYS 17 53.165 -12.428 -4.573 131 2HD LYS 17 2HD LYS 17 54.873 -12.693 -4.929 132 1HE LYS 17 1HE LYS 17 53.858 -12.419 -2.086 133 2HE LYS 17 2HE LYS 17 53.958 -13.987 -2.913 134 1HZ LYS 17 1HZ LYS 17 56.254 -12.162 -3.040 135 2HZ LYS 17 2HZ LYS 17 56.013 -13.062 -1.620 136 3HZ LYS 17 3HZ LYS 17 56.224 -13.855 -3.107 137 H ASN 18 H ASN 18 52.133 -8.344 -6.912 138 HA ASN 18 HA ASN 18 53.903 -7.135 -8.767 139 1HB ASN 18 1HB ASN 18 50.913 -7.268 -8.408 140 2HB ASN 18 2HB ASN 18 51.617 -6.412 -9.780 141 1HD2 ASN 18 2HD2 ASN 18 50.040 -8.900 -9.946 142 2HD2 ASN 18 1HD2 ASN 18 51.065 -10.080 -10.609 143 H GLU 19 H GLU 19 52.052 -5.700 -6.154 144 HA GLU 19 HA GLU 19 52.179 -2.973 -7.171 145 1HB GLU 19 1HB GLU 19 50.555 -4.104 -5.494 146 2HB GLU 19 2HB GLU 19 51.822 -3.828 -4.299 147 1HG GLU 19 1HG GLU 19 51.730 -1.380 -5.469 148 2HG GLU 19 2HG GLU 19 50.048 -1.879 -5.656 149 H PHE 20 H PHE 20 53.860 -4.634 -4.460 150 HA PHE 20 HA PHE 20 55.652 -2.495 -3.865 151 1HB PHE 20 1HB PHE 20 55.835 -5.504 -3.531 152 2HB PHE 20 2HB PHE 20 56.944 -4.366 -2.767 153 HD1 PHE 20 HD1 PHE 20 54.870 -2.146 -2.259 154 HD2 PHE 20 HD2 PHE 20 54.816 -6.382 -1.537 155 HE1 PHE 20 HE1 PHE 20 53.248 -1.813 -0.416 156 HE2 PHE 20 HE2 PHE 20 53.193 -6.046 0.307 157 HZ PHE 20 HZ PHE 20 52.410 -3.761 0.866 158 H LYS 21 H LYS 21 56.027 -5.303 -6.049 159 HA LYS 21 HA LYS 21 58.692 -5.107 -6.795 160 1HB LYS 21 1HB LYS 21 56.131 -5.708 -8.248 161 2HB LYS 21 2HB LYS 21 57.647 -5.686 -9.151 162 1HG LYS 21 1HG LYS 21 57.240 -7.299 -6.618 163 2HG LYS 21 2HG LYS 21 57.009 -7.957 -8.239 164 1HD LYS 21 1HD LYS 21 59.467 -6.763 -8.478 165 2HD LYS 21 2HD LYS 21 59.507 -7.329 -6.808 166 1HE LYS 21 1HE LYS 21 59.011 -9.604 -7.495 167 2HE LYS 21 2HE LYS 21 58.744 -9.082 -9.170 168 1HZ LYS 21 1HZ LYS 21 61.237 -8.163 -8.071 169 2HZ LYS 21 2HZ LYS 21 61.136 -9.856 -8.140 170 3HZ LYS 21 3HZ LYS 21 60.929 -8.933 -9.550 171 H ALA 22 H ALA 22 56.101 -2.851 -7.515 172 HA ALA 22 HA ALA 22 57.454 -1.411 -9.636 173 1HB ALA 22 1HB ALA 22 54.936 -1.541 -8.582 174 2HB ALA 22 2HB ALA 22 55.500 -0.017 -7.896 175 3HB ALA 22 3HB ALA 22 55.481 -0.243 -9.645 176 H ALA 23 H ALA 23 56.645 -0.221 -6.352 177 HA ALA 23 HA ALA 23 58.354 1.973 -6.243 178 1HB ALA 23 1HB ALA 23 57.634 -0.052 -4.098 179 2HB ALA 23 2HB ALA 23 58.301 1.548 -3.770 180 3HB ALA 23 3HB ALA 23 56.715 1.391 -4.527 181 H PHE 24 H PHE 24 59.178 -1.347 -5.151 182 HA PHE 24 HA PHE 24 61.817 -1.042 -4.376 183 1HB PHE 24 1HB PHE 24 60.526 -3.146 -4.380 184 2HB PHE 24 2HB PHE 24 60.617 -3.204 -6.141 185 HD1 PHE 24 HD1 PHE 24 62.657 -3.275 -3.028 186 HD2 PHE 24 HD2 PHE 24 62.555 -4.017 -7.257 187 HE1 PHE 24 HE1 PHE 24 64.862 -4.402 -2.884 188 HE2 PHE 24 HE2 PHE 24 64.759 -5.145 -7.113 189 HZ PHE 24 HZ PHE 24 65.913 -5.339 -4.926 190 H ASP 25 H ASP 25 60.730 -1.598 -7.749 191 HA ASP 25 HA ASP 25 63.262 -1.406 -9.009 192 1HB ASP 25 1HB ASP 25 60.551 -1.672 -9.684 193 2HB ASP 25 2HB ASP 25 61.078 -0.213 -10.523 194 H ILE 26 H ILE 26 60.839 1.161 -8.393 195 HA ILE 26 HA ILE 26 62.436 3.304 -9.473 196 HB ILE 26 HB ILE 26 60.109 3.120 -7.542 197 1HG1 ILE 26 1HG1 ILE 26 59.164 4.334 -9.749 198 2HG1 ILE 26 2HG1 ILE 26 60.483 3.423 -10.485 199 1HG2 ILE 26 1HG2 ILE 26 61.673 5.478 -8.524 200 2HG2 ILE 26 2HG2 ILE 26 59.927 5.642 -8.333 201 3HG2 ILE 26 3HG2 ILE 26 60.930 5.208 -6.949 202 1HD1 ILE 26 1HD1 ILE 26 58.538 2.106 -8.592 203 2HD1 ILE 26 2HD1 ILE 26 58.185 2.252 -10.315 204 3HD1 ILE 26 3HD1 ILE 26 59.601 1.348 -9.778 205 H PHE 27 H PHE 27 61.992 1.995 -6.190 206 HA PHE 27 HA PHE 27 63.405 3.938 -4.700 207 1HB PHE 27 1HB PHE 27 62.433 1.215 -4.456 208 2HB PHE 27 2HB PHE 27 63.975 1.395 -3.621 209 HD1 PHE 27 HD1 PHE 27 60.966 3.589 -4.150 210 HD2 PHE 27 HD2 PHE 27 63.727 1.847 -1.357 211 HE1 PHE 27 HE1 PHE 27 59.826 4.767 -2.289 212 HE2 PHE 27 HE2 PHE 27 62.587 3.024 0.504 213 HZ PHE 27 HZ PHE 27 60.637 4.484 0.038 214 H VAL 28 H VAL 28 64.585 1.644 -7.015 215 HA VAL 28 HA VAL 28 67.400 2.221 -6.158 216 HB VAL 28 HB VAL 28 67.912 -0.011 -6.995 217 1HG1 VAL 28 1HG1 VAL 28 66.518 0.500 -4.734 218 2HG1 VAL 28 2HG1 VAL 28 65.393 -0.595 -5.537 219 3HG1 VAL 28 3HG1 VAL 28 67.040 -1.122 -5.192 220 1HG2 VAL 28 1HG2 VAL 28 66.113 0.207 -8.841 221 2HG2 VAL 28 2HG2 VAL 28 66.348 -1.386 -8.120 222 3HG2 VAL 28 3HG2 VAL 28 64.984 -0.385 -7.621 223 H LEU 29 H LEU 29 65.499 3.609 -8.145 224 HA LEU 29 HA LEU 29 66.260 3.060 -10.827 225 1HB LEU 29 1HB LEU 29 64.568 4.742 -9.530 226 2HB LEU 29 2HB LEU 29 65.833 5.880 -9.993 227 HG LEU 29 HG LEU 29 65.107 4.021 -12.145 228 1HD1 LEU 29 1HD1 LEU 29 63.055 6.003 -11.107 229 2HD1 LEU 29 2HD1 LEU 29 62.947 5.132 -12.639 230 3HD1 LEU 29 3HD1 LEU 29 62.886 4.246 -11.115 231 1HD2 LEU 29 1HD2 LEU 29 66.533 6.025 -12.418 232 2HD2 LEU 29 2HD2 LEU 29 65.086 6.134 -13.421 233 3HD2 LEU 29 3HD2 LEU 29 65.187 7.048 -11.915 234 H GLY 30 H GLY 30 68.496 2.780 -11.151 235 1HA GLY 30 1HA GLY 30 70.408 4.161 -11.994 236 2HA GLY 30 2HA GLY 30 70.197 5.172 -10.564 237 H ALA 31 H ALA 31 69.594 2.442 -9.148 238 HA ALA 31 HA ALA 31 72.120 2.120 -7.879 239 1HB ALA 31 1HB ALA 31 69.895 1.423 -7.008 240 2HB ALA 31 2HB ALA 31 69.833 0.151 -8.228 241 3HB ALA 31 3HB ALA 31 71.056 0.097 -6.959 242 H GLU 32 H GLU 32 73.540 0.171 -8.015 243 HA GLU 32 HA GLU 32 73.778 -0.788 -10.843 244 1HB GLU 32 1HB GLU 32 75.579 0.611 -9.654 245 2HB GLU 32 2HB GLU 32 75.876 -0.818 -8.663 246 1HG GLU 32 1HG GLU 32 75.960 -2.012 -11.043 247 2HG GLU 32 2HG GLU 32 76.400 -0.388 -11.575 248 H ASP 33 H ASP 33 72.874 -1.791 -7.734 249 HA ASP 33 HA ASP 33 73.507 -4.651 -8.391 250 1HB ASP 33 1HB ASP 33 73.293 -4.854 -5.830 251 2HB ASP 33 2HB ASP 33 74.702 -3.983 -6.437 252 H GLY 34 H GLY 34 71.071 -2.394 -7.137 253 1HA GLY 34 1HA GLY 34 68.724 -2.846 -7.917 254 2HA GLY 34 2HA GLY 34 69.024 -4.542 -7.536 255 H CYS 35 H CYS 35 70.470 -2.400 -5.319 256 HA CYS 35 HA CYS 35 68.333 -3.032 -3.323 257 1HB CYS 35 1HB CYS 35 71.248 -2.233 -3.035 258 2HB CYS 35 2HB CYS 35 70.178 -2.669 -1.702 259 HG CYS 35 HG CYS 35 71.640 -4.758 -2.662 260 H ILE 36 H ILE 36 68.896 -1.119 -1.414 261 HA ILE 36 HA ILE 36 68.483 1.487 -2.842 262 HB ILE 36 HB ILE 36 67.059 0.385 -0.399 263 1HG1 ILE 36 1HG1 ILE 36 65.709 1.087 -2.978 264 2HG1 ILE 36 2HG1 ILE 36 66.585 -0.442 -2.883 265 1HG2 ILE 36 1HG2 ILE 36 67.223 3.062 -1.657 266 2HG2 ILE 36 2HG2 ILE 36 65.598 2.514 -1.248 267 3HG2 ILE 36 3HG2 ILE 36 66.833 2.623 0.006 268 1HD1 ILE 36 1HD1 ILE 36 64.690 0.304 -0.679 269 2HD1 ILE 36 2HD1 ILE 36 64.047 -0.350 -2.186 270 3HD1 ILE 36 3HD1 ILE 36 65.185 -1.297 -1.228 271 H SER 37 H SER 37 69.074 3.368 -1.528 272 HA SER 37 HA SER 37 70.626 2.943 0.950 273 1HB SER 37 1HB SER 37 71.749 3.086 -1.721 274 2HB SER 37 2HB SER 37 72.358 4.388 -0.707 275 HG SER 37 HG SER 37 73.409 2.165 -0.679 276 H THR 38 H THR 38 68.272 4.421 0.218 277 HA THR 38 HA THR 38 67.320 6.521 0.744 278 HB THR 38 HB THR 38 68.540 7.912 2.151 279 HG1 THR 38 HG1 THR 38 70.975 7.848 1.864 280 1HG2 THR 38 1HG2 THR 38 68.939 5.231 2.537 281 2HG2 THR 38 2HG2 THR 38 70.594 5.837 2.528 282 3HG2 THR 38 3HG2 THR 38 69.425 6.486 3.677 283 H LYS 39 H LYS 39 70.521 6.968 -0.847 284 HA LYS 39 HA LYS 39 69.968 9.243 -2.375 285 1HB LYS 39 1HB LYS 39 71.592 6.742 -2.744 286 2HB LYS 39 2HB LYS 39 71.491 7.891 -4.081 287 1HG LYS 39 1HG LYS 39 72.144 8.858 -1.308 288 2HG LYS 39 2HG LYS 39 73.409 8.170 -2.327 289 1HD LYS 39 1HD LYS 39 72.894 9.798 -4.096 290 2HD LYS 39 2HD LYS 39 71.603 10.479 -3.105 291 1HE LYS 39 1HE LYS 39 74.015 10.380 -1.535 292 2HE LYS 39 2HE LYS 39 74.347 11.208 -3.070 293 1HZ LYS 39 1HZ LYS 39 72.011 12.248 -2.589 294 2HZ LYS 39 2HZ LYS 39 72.404 11.885 -0.977 295 3HZ LYS 39 3HZ LYS 39 73.406 12.910 -1.889 296 H GLU 40 H GLU 40 69.151 5.849 -3.096 297 HA GLU 40 HA GLU 40 67.687 6.606 -5.551 298 1HB GLU 40 1HB GLU 40 67.853 3.931 -4.133 299 2HB GLU 40 2HB GLU 40 67.533 4.222 -5.842 300 1HG GLU 40 1HG GLU 40 70.121 5.031 -4.496 301 2HG GLU 40 2HG GLU 40 69.900 3.475 -5.297 302 H LEU 41 H LEU 41 67.074 5.922 -2.188 303 HA LEU 41 HA LEU 41 64.218 5.375 -2.512 304 1HB LEU 41 1HB LEU 41 64.859 4.390 -0.565 305 2HB LEU 41 2HB LEU 41 66.309 5.381 -0.459 306 HG LEU 41 HG LEU 41 64.954 7.243 0.460 307 1HD1 LEU 41 1HD1 LEU 41 62.821 5.773 -0.614 308 2HD1 LEU 41 2HD1 LEU 41 62.622 5.653 1.136 309 3HD1 LEU 41 3HD1 LEU 41 62.704 7.236 0.364 310 1HD2 LEU 41 1HD2 LEU 41 64.776 4.555 1.843 311 2HD2 LEU 41 2HD2 LEU 41 65.993 5.809 2.081 312 3HD2 LEU 41 3HD2 LEU 41 64.339 6.068 2.637 313 H GLY 42 H GLY 42 66.133 8.095 -1.161 314 1HA GLY 42 1HA GLY 42 64.014 9.834 -0.561 315 2HA GLY 42 2HA GLY 42 65.616 10.385 -1.055 316 H LYS 43 H LYS 43 65.573 9.216 -3.687 317 HA LYS 43 HA LYS 43 64.541 11.263 -5.275 318 1HB LYS 43 1HB LYS 43 65.348 8.440 -5.580 319 2HB LYS 43 2HB LYS 43 64.292 9.034 -6.861 320 1HG LYS 43 1HG LYS 43 66.377 10.957 -6.136 321 2HG LYS 43 2HG LYS 43 67.033 9.430 -6.725 322 1HD LYS 43 1HD LYS 43 66.626 11.038 -8.575 323 2HD LYS 43 2HD LYS 43 65.649 9.579 -8.741 324 1HE LYS 43 1HE LYS 43 63.664 10.680 -8.139 325 2HE LYS 43 2HE LYS 43 64.531 11.981 -7.297 326 1HZ LYS 43 1HZ LYS 43 65.572 12.439 -9.565 327 2HZ LYS 43 2HZ LYS 43 64.309 11.506 -10.208 328 3HZ LYS 43 3HZ LYS 43 63.960 12.923 -9.339 329 H VAL 44 H VAL 44 62.831 8.461 -3.950 330 HA VAL 44 HA VAL 44 60.411 8.848 -5.514 331 HB VAL 44 HB VAL 44 61.166 7.327 -3.006 332 1HG1 VAL 44 1HG1 VAL 44 58.507 7.874 -4.192 333 2HG1 VAL 44 2HG1 VAL 44 58.839 6.179 -3.836 334 3HG1 VAL 44 3HG1 VAL 44 58.930 7.383 -2.552 335 1HG2 VAL 44 1HG2 VAL 44 61.389 6.873 -5.830 336 2HG2 VAL 44 2HG2 VAL 44 61.867 5.804 -4.511 337 3HG2 VAL 44 3HG2 VAL 44 60.234 5.715 -5.169 338 H MET 45 H MET 45 61.523 9.856 -2.284 339 HA MET 45 HA MET 45 59.126 10.860 -1.199 340 1HB MET 45 1HB MET 45 61.950 11.976 -1.080 341 2HB MET 45 2HB MET 45 60.665 12.349 0.069 342 1HG MET 45 1HG MET 45 61.894 9.627 -0.452 343 2HG MET 45 2HG MET 45 62.061 10.595 1.011 344 1HE MET 45 1HE MET 45 60.539 8.186 -0.962 345 2HE MET 45 2HE MET 45 59.135 7.545 -0.112 346 3HE MET 45 3HE MET 45 58.940 8.892 -1.228 347 H ARG 46 H ARG 46 61.552 12.720 -3.076 348 HA ARG 46 HA ARG 46 60.225 15.157 -3.336 349 1HB ARG 46 1HB ARG 46 62.418 13.828 -4.439 350 2HB ARG 46 2HB ARG 46 61.418 14.220 -5.839 351 1HG ARG 46 1HG ARG 46 61.591 16.430 -3.926 352 2HG ARG 46 2HG ARG 46 63.165 15.961 -4.569 353 1HD ARG 46 1HD ARG 46 62.573 17.316 -6.325 354 2HD ARG 46 2HD ARG 46 61.613 15.916 -6.841 355 HE ARG 46 HE ARG 46 60.052 17.278 -4.935 356 1HH1 ARG 46 1HH2 ARG 46 58.933 16.791 -7.589 357 2HH1 ARG 46 2HH2 ARG 46 58.834 18.375 -8.285 358 1HH2 ARG 46 1HH1 ARG 46 61.029 19.798 -6.005 359 2HH2 ARG 46 2HH1 ARG 46 60.026 20.078 -7.390 360 H MET 47 H MET 47 59.480 12.098 -4.891 361 HA MET 47 HA MET 47 57.697 13.190 -6.915 362 1HB MET 47 1HB MET 47 58.824 10.673 -6.053 363 2HB MET 47 2HB MET 47 57.093 10.486 -6.335 364 1HG MET 47 1HG MET 47 57.341 10.683 -8.571 365 2HG MET 47 2HG MET 47 58.378 12.100 -8.402 366 1HE MET 47 1HE MET 47 58.308 8.719 -6.992 367 2HE MET 47 2HE MET 47 58.540 7.952 -8.560 368 3HE MET 47 3HE MET 47 59.843 7.938 -7.363 369 H LEU 48 H LEU 48 57.321 11.969 -3.610 370 HA LEU 48 HA LEU 48 54.372 12.134 -3.789 371 1HB LEU 48 1HB LEU 48 56.233 11.425 -1.500 372 2HB LEU 48 2HB LEU 48 54.498 11.111 -1.567 373 HG LEU 48 HG LEU 48 55.880 10.079 -3.921 374 1HD1 LEU 48 1HD1 LEU 48 56.652 8.982 -1.200 375 2HD1 LEU 48 2HD1 LEU 48 57.042 8.239 -2.752 376 3HD1 LEU 48 3HD1 LEU 48 57.734 9.802 -2.325 377 1HD2 LEU 48 1HD2 LEU 48 53.562 9.513 -3.121 378 2HD2 LEU 48 2HD2 LEU 48 54.578 8.096 -3.389 379 3HD2 LEU 48 3HD2 LEU 48 54.288 8.678 -1.749 380 H GLY 49 H GLY 49 56.257 14.558 -3.861 381 1HA GLY 49 1HA GLY 49 56.124 16.769 -3.089 382 2HA GLY 49 2HA GLY 49 54.611 16.319 -2.304 383 H GLN 50 H GLN 50 57.710 14.751 -1.654 384 HA GLN 50 HA GLN 50 58.012 16.257 0.883 385 1HB GLN 50 1HB GLN 50 56.423 14.066 0.861 386 2HB GLN 50 2HB GLN 50 57.986 13.291 1.132 387 1HG GLN 50 1HG GLN 50 58.371 14.507 3.130 388 2HG GLN 50 2HG GLN 50 57.113 15.683 2.754 389 1HE2 GLN 50 2HE2 GLN 50 56.869 14.527 5.225 390 2HE2 GLN 50 1HE2 GLN 50 55.630 13.367 5.241 391 H ASN 51 H ASN 51 60.081 15.629 1.983 392 HA ASN 51 HA ASN 51 62.004 13.972 0.525 393 1HB ASN 51 1HB ASN 51 62.101 15.868 -0.914 394 2HB ASN 51 2HB ASN 51 62.025 16.994 0.441 395 1HD2 ASN 51 2HD2 ASN 51 64.167 14.807 -1.341 396 2HD2 ASN 51 1HD2 ASN 51 65.607 15.347 -0.622 397 HA PRO 52 HA PRO 52 62.916 14.293 4.968 398 1HB PRO 52 1HB PRO 52 64.040 11.800 5.132 399 2HB PRO 52 2HB PRO 52 62.289 12.081 5.214 400 1HG PRO 52 1HG PRO 52 63.952 11.172 2.916 401 2HG PRO 52 2HG PRO 52 62.342 10.637 3.425 402 1HD PRO 52 1HD PRO 52 62.750 12.359 1.363 403 2HD PRO 52 2HD PRO 52 61.283 12.374 2.366 404 H THR 53 H THR 53 64.846 15.050 5.809 405 HA THR 53 HA THR 53 67.049 15.758 4.212 406 HB THR 53 HB THR 53 68.101 15.508 6.727 407 HG1 THR 53 HG1 THR 53 66.567 15.297 8.157 408 1HG2 THR 53 1HG2 THR 53 67.583 17.558 5.231 409 2HG2 THR 53 2HG2 THR 53 66.057 17.635 6.111 410 3HG2 THR 53 3HG2 THR 53 67.584 17.795 6.979 411 HA PRO 54 HA PRO 54 69.601 12.216 3.845 412 1HB PRO 54 1HB PRO 54 72.092 13.106 4.548 413 2HB PRO 54 2HB PRO 54 71.291 13.572 3.035 414 1HG PRO 54 1HG PRO 54 71.561 15.090 5.580 415 2HG PRO 54 2HG PRO 54 71.631 15.666 3.907 416 1HD PRO 54 1HD PRO 54 69.443 15.948 5.515 417 2HD PRO 54 2HD PRO 54 69.359 15.862 3.742 418 H GLU 55 H GLU 55 69.603 13.841 6.944 419 HA GLU 55 HA GLU 55 71.015 11.726 8.388 420 1HB GLU 55 1HB GLU 55 69.219 13.969 9.367 421 2HB GLU 55 2HB GLU 55 70.423 13.099 10.318 422 1HG GLU 55 1HG GLU 55 72.117 14.362 9.516 423 2HG GLU 55 2HG GLU 55 71.538 14.215 7.855 424 H GLU 56 H GLU 56 67.650 12.553 7.679 425 HA GLU 56 HA GLU 56 66.608 10.483 9.508 426 1HB GLU 56 1HB GLU 56 65.439 12.496 7.575 427 2HB GLU 56 2HB GLU 56 64.432 11.326 8.428 428 1HG GLU 56 1HG GLU 56 65.355 12.157 10.590 429 2HG GLU 56 2HG GLU 56 66.259 13.384 9.701 430 H LEU 57 H LEU 57 67.477 10.810 6.148 431 HA LEU 57 HA LEU 57 65.830 8.866 4.915 432 1HB LEU 57 1HB LEU 57 68.237 10.359 4.415 433 2HB LEU 57 2HB LEU 57 68.471 8.698 3.868 434 HG LEU 57 HG LEU 57 66.180 10.531 3.104 435 1HD1 LEU 57 1HD1 LEU 57 68.759 9.745 1.859 436 2HD1 LEU 57 2HD1 LEU 57 67.355 9.746 0.791 437 3HD1 LEU 57 3HD1 LEU 57 67.810 11.217 1.650 438 1HD2 LEU 57 1HD2 LEU 57 66.548 7.611 2.983 439 2HD2 LEU 57 2HD2 LEU 57 65.069 8.562 2.852 440 3HD2 LEU 57 3HD2 LEU 57 66.104 8.339 1.440 441 H GLN 58 H GLN 58 69.248 8.211 5.743 442 HA GLN 58 HA GLN 58 69.261 5.460 5.670 443 1HB GLN 58 1HB GLN 58 70.847 7.541 6.636 444 2HB GLN 58 2HB GLN 58 70.603 6.508 8.045 445 1HG GLN 58 1HG GLN 58 72.588 5.806 6.764 446 2HG GLN 58 2HG GLN 58 71.348 4.555 6.752 447 1HE2 GLN 58 2HE2 GLN 58 71.639 3.598 4.708 448 2HE2 GLN 58 1HE2 GLN 58 71.599 4.456 3.244 449 H GLU 59 H GLU 59 67.937 7.496 8.260 450 HA GLU 59 HA GLU 59 67.497 5.503 10.237 451 1HB GLU 59 1HB GLU 59 67.227 8.098 10.215 452 2HB GLU 59 2HB GLU 59 65.590 7.766 9.644 453 1HG GLU 59 1HG GLU 59 65.317 7.843 11.977 454 2HG GLU 59 2HG GLU 59 65.477 6.115 11.660 455 H MET 60 H MET 60 65.787 6.212 7.253 456 HA MET 60 HA MET 60 63.391 4.685 7.920 457 1HB MET 60 1HB MET 60 64.615 5.976 5.485 458 2HB MET 60 2HB MET 60 63.190 4.949 5.319 459 1HG MET 60 1HG MET 60 62.739 6.682 7.535 460 2HG MET 60 2HG MET 60 63.318 7.674 6.197 461 1HE MET 60 1HE MET 60 62.618 8.027 4.320 462 2HE MET 60 2HE MET 60 61.537 7.036 3.331 463 3HE MET 60 3HE MET 60 60.914 8.452 4.173 464 H ILE 61 H ILE 61 66.434 4.056 6.204 465 HA ILE 61 HA ILE 61 65.643 1.412 5.266 466 HB ILE 61 HB ILE 61 68.133 3.099 5.406 467 1HG1 ILE 61 1HG1 ILE 61 67.871 2.211 2.858 468 2HG1 ILE 61 2HG1 ILE 61 66.189 2.123 3.385 469 1HG2 ILE 61 1HG2 ILE 61 67.978 0.148 4.757 470 2HG2 ILE 61 2HG2 ILE 61 69.275 1.180 4.156 471 3HG2 ILE 61 3HG2 ILE 61 69.062 0.952 5.892 472 1HD1 ILE 61 1HD1 ILE 61 67.767 4.588 4.023 473 2HD1 ILE 61 2HD1 ILE 61 67.159 4.371 2.381 474 3HD1 ILE 61 3HD1 ILE 61 66.035 4.411 3.740 475 H ASP 62 H ASP 62 68.247 2.353 7.541 476 HA ASP 62 HA ASP 62 68.836 -0.069 8.711 477 1HB ASP 62 1HB ASP 62 68.474 2.672 9.955 478 2HB ASP 62 2HB ASP 62 69.276 1.334 10.780 479 H GLU 63 H GLU 63 65.930 1.871 9.274 480 HA GLU 63 HA GLU 63 64.898 0.701 11.608 481 1HB GLU 63 1HB GLU 63 63.949 2.129 9.238 482 2HB GLU 63 2HB GLU 63 62.726 1.036 9.888 483 1HG GLU 63 1HG GLU 63 64.246 3.119 11.486 484 2HG GLU 63 2HG GLU 63 62.574 3.265 10.943 485 H VAL 64 H VAL 64 64.642 -0.491 8.247 486 HA VAL 64 HA VAL 64 63.596 -3.085 9.330 487 HB VAL 64 HB VAL 64 62.561 -3.319 7.130 488 1HG1 VAL 64 1HG1 VAL 64 62.078 -1.119 8.927 489 2HG1 VAL 64 2HG1 VAL 64 61.705 -0.620 7.277 490 3HG1 VAL 64 3HG1 VAL 64 60.913 -2.035 7.971 491 1HG2 VAL 64 1HG2 VAL 64 64.675 -1.677 6.310 492 2HG2 VAL 64 2HG2 VAL 64 63.348 -2.250 5.300 493 3HG2 VAL 64 3HG2 VAL 64 63.237 -0.680 6.095 494 H ASP 65 H ASP 65 66.453 -2.352 9.232 495 HA ASP 65 HA ASP 65 67.429 -4.195 7.077 496 1HB ASP 65 1HB ASP 65 68.249 -1.900 6.949 497 2HB ASP 65 2HB ASP 65 68.747 -1.952 8.640 498 H GLU 66 H GLU 66 67.331 -6.197 8.183 499 HA GLU 66 HA GLU 66 68.431 -6.421 10.915 500 1HB GLU 66 1HB GLU 66 67.635 -8.741 10.677 501 2HB GLU 66 2HB GLU 66 66.384 -7.611 10.157 502 1HG GLU 66 1HG GLU 66 68.091 -8.223 7.924 503 2HG GLU 66 2HG GLU 66 67.528 -9.726 8.655 504 H ASP 67 H ASP 67 70.208 -5.693 8.588 505 HA ASP 67 HA ASP 67 72.102 -8.014 8.791 506 1HB ASP 67 1HB ASP 67 71.816 -6.075 6.479 507 2HB ASP 67 2HB ASP 67 72.693 -7.605 6.494 508 H GLY 68 H GLY 68 71.724 -4.489 8.553 509 1HA GLY 68 1HA GLY 68 73.074 -2.862 9.652 510 2HA GLY 68 2HA GLY 68 74.218 -4.136 10.078 511 H SER 69 H SER 69 73.264 -4.198 6.805 512 HA SER 69 HA SER 69 75.962 -3.544 5.908 513 1HB SER 69 1HB SER 69 74.761 -3.898 3.656 514 2HB SER 69 2HB SER 69 74.754 -5.260 4.774 515 HG SER 69 HG SER 69 72.668 -5.033 5.026 516 H GLY 70 H GLY 70 72.753 -1.998 5.660 517 1HA GLY 70 1HA GLY 70 72.696 0.492 5.870 518 2HA GLY 70 2HA GLY 70 74.150 0.527 4.870 519 H THR 71 H THR 71 72.386 -1.898 3.574 520 HA THR 71 HA THR 71 70.936 -0.055 1.698 521 HB THR 71 HB THR 71 71.514 -1.950 0.038 522 HG1 THR 71 HG1 THR 71 72.116 -3.403 1.754 523 1HG2 THR 71 1HG2 THR 71 73.368 0.040 1.262 524 2HG2 THR 71 2HG2 THR 71 74.055 -1.130 0.136 525 3HG2 THR 71 3HG2 THR 71 72.756 -0.059 -0.389 526 H VAL 72 H VAL 72 68.905 -0.852 0.899 527 HA VAL 72 HA VAL 72 67.724 -3.043 2.556 528 HB VAL 72 HB VAL 72 66.686 -0.594 1.136 529 1HG1 VAL 72 1HG1 VAL 72 65.105 -2.998 2.079 530 2HG1 VAL 72 2HG1 VAL 72 64.381 -1.410 1.824 531 3HG1 VAL 72 3HG1 VAL 72 65.106 -2.276 0.469 532 1HG2 VAL 72 1HG2 VAL 72 67.279 -1.387 3.835 533 2HG2 VAL 72 2HG2 VAL 72 66.735 0.184 3.246 534 3HG2 VAL 72 3HG2 VAL 72 65.554 -1.044 3.700 535 H ASP 73 H ASP 73 66.905 -4.860 1.552 536 HA ASP 73 HA ASP 73 67.180 -5.013 -1.427 537 1HB ASP 73 1HB ASP 73 67.674 -6.793 0.891 538 2HB ASP 73 2HB ASP 73 66.954 -7.579 -0.515 539 H PHE 74 H PHE 74 65.530 -6.849 -2.254 540 HA PHE 74 HA PHE 74 62.882 -5.830 -1.966 541 1HB PHE 74 1HB PHE 74 63.604 -7.098 -3.902 542 2HB PHE 74 2HB PHE 74 63.987 -8.497 -2.898 543 HD1 PHE 74 HD1 PHE 74 61.276 -6.482 -4.375 544 HD2 PHE 74 HD2 PHE 74 62.230 -9.914 -1.972 545 HE1 PHE 74 HE1 PHE 74 58.942 -7.291 -4.603 546 HE2 PHE 74 HE2 PHE 74 59.896 -10.721 -2.198 547 HZ PHE 74 HZ PHE 74 58.252 -9.410 -3.514 548 H ASP 75 H ASP 75 64.722 -7.840 0.114 549 HA ASP 75 HA ASP 75 62.423 -9.242 1.306 550 1HB ASP 75 1HB ASP 75 65.384 -9.181 1.491 551 2HB ASP 75 2HB ASP 75 64.538 -9.635 2.971 552 H GLU 76 H GLU 76 64.804 -6.800 2.421 553 HA GLU 76 HA GLU 76 63.481 -6.292 4.929 554 1HB GLU 76 1HB GLU 76 65.410 -4.675 3.232 555 2HB GLU 76 2HB GLU 76 65.022 -4.320 4.916 556 1HG GLU 76 1HG GLU 76 66.102 -6.226 5.710 557 2HG GLU 76 2HG GLU 76 65.944 -7.078 4.174 558 H PHE 77 H PHE 77 63.041 -5.041 1.677 559 HA PHE 77 HA PHE 77 61.633 -2.623 2.330 560 1HB PHE 77 1HB PHE 77 62.660 -3.308 0.132 561 2HB PHE 77 2HB PHE 77 61.329 -4.448 -0.076 562 HD1 PHE 77 HD1 PHE 77 61.789 -0.847 0.902 563 HD2 PHE 77 HD2 PHE 77 59.540 -3.719 -1.366 564 HE1 PHE 77 HE1 PHE 77 60.367 0.975 0.005 565 HE2 PHE 77 HE2 PHE 77 58.118 -1.896 -2.263 566 HZ PHE 77 HZ PHE 77 58.531 0.451 -1.577 567 H LEU 78 H LEU 78 60.591 -5.988 1.942 568 HA LEU 78 HA LEU 78 57.757 -5.485 1.923 569 1HB LEU 78 1HB LEU 78 59.588 -7.809 2.487 570 2HB LEU 78 2HB LEU 78 57.847 -7.980 2.711 571 HG LEU 78 HG LEU 78 59.052 -6.907 0.153 572 1HD1 LEU 78 1HD1 LEU 78 59.150 -9.591 1.175 573 2HD1 LEU 78 2HD1 LEU 78 58.049 -9.543 -0.202 574 3HD1 LEU 78 3HD1 LEU 78 59.714 -8.989 -0.384 575 1HD2 LEU 78 1HD2 LEU 78 56.491 -6.814 1.068 576 2HD2 LEU 78 2HD2 LEU 78 56.905 -6.917 -0.644 577 3HD2 LEU 78 3HD2 LEU 78 56.476 -8.376 0.250 578 H VAL 79 H VAL 79 60.131 -5.595 4.484 579 HA VAL 79 HA VAL 79 58.199 -6.069 6.636 580 HB VAL 79 HB VAL 79 61.091 -5.168 6.504 581 1HG1 VAL 79 1HG1 VAL 79 59.273 -5.715 8.853 582 2HG1 VAL 79 2HG1 VAL 79 61.025 -5.863 8.982 583 3HG1 VAL 79 3HG1 VAL 79 60.300 -4.310 8.572 584 1HG2 VAL 79 1HG2 VAL 79 59.649 -7.778 6.826 585 2HG2 VAL 79 2HG2 VAL 79 61.093 -7.410 5.883 586 3HG2 VAL 79 3HG2 VAL 79 61.201 -7.565 7.636 587 H MET 80 H MET 80 59.792 -3.264 5.158 588 HA MET 80 HA MET 80 59.125 -1.274 7.064 589 1HB MET 80 1HB MET 80 60.530 -1.326 4.824 590 2HB MET 80 2HB MET 80 59.018 -0.771 4.105 591 1HG MET 80 1HG MET 80 59.347 0.771 6.436 592 2HG MET 80 2HG MET 80 60.937 0.721 5.676 593 1HE MET 80 1HE MET 80 61.193 0.658 3.297 594 2HE MET 80 2HE MET 80 60.385 1.709 2.124 595 3HE MET 80 3HE MET 80 61.448 2.401 3.349 596 H MET 81 H MET 81 57.157 -2.842 4.597 597 HA MET 81 HA MET 81 54.949 -0.918 4.846 598 1HB MET 81 1HB MET 81 55.309 -3.603 3.479 599 2HB MET 81 2HB MET 81 53.868 -2.599 3.307 600 1HG MET 81 1HG MET 81 56.550 -1.362 2.803 601 2HG MET 81 2HG MET 81 55.851 -2.402 1.562 602 1HE MET 81 1HE MET 81 56.350 0.136 0.404 603 2HE MET 81 2HE MET 81 55.392 1.556 0.816 604 3HE MET 81 3HE MET 81 56.542 0.908 1.982 605 H VAL 82 H VAL 82 55.703 -4.208 5.977 606 HA VAL 82 HA VAL 82 53.179 -4.889 7.092 607 HB VAL 82 HB VAL 82 55.975 -5.538 8.082 608 1HG1 VAL 82 1HG1 VAL 82 53.295 -6.420 8.826 609 2HG1 VAL 82 2HG1 VAL 82 54.311 -7.766 8.308 610 3HG1 VAL 82 3HG1 VAL 82 54.835 -6.723 9.630 611 1HG2 VAL 82 1HG2 VAL 82 54.813 -6.005 5.552 612 2HG2 VAL 82 2HG2 VAL 82 56.277 -6.744 6.201 613 3HG2 VAL 82 3HG2 VAL 82 54.719 -7.542 6.412 614 H ARG 83 H ARG 83 56.006 -3.370 8.692 615 HA ARG 83 HA ARG 83 55.059 -3.013 11.272 616 1HB ARG 83 1HB ARG 83 56.687 -1.300 9.398 617 2HB ARG 83 2HB ARG 83 56.392 -0.782 11.058 618 1HG ARG 83 1HG ARG 83 57.177 -3.228 11.649 619 2HG ARG 83 2HG ARG 83 57.944 -3.150 10.062 620 1HD ARG 83 1HD ARG 83 59.647 -2.275 11.406 621 2HD ARG 83 2HD ARG 83 58.785 -0.784 10.977 622 HE ARG 83 HE ARG 83 57.902 -2.251 13.407 623 1HH1 ARG 83 1HH2 ARG 83 60.552 -0.439 13.060 624 2HH1 ARG 83 2HH2 ARG 83 60.015 0.946 13.951 625 1HH2 ARG 83 1HH1 ARG 83 56.705 -0.082 14.063 626 2HH2 ARG 83 2HH1 ARG 83 57.837 1.147 14.520 627 H CYS 84 H CYS 84 54.688 -0.485 8.747 628 HA CYS 84 HA CYS 84 52.814 1.101 10.185 629 1HB CYS 84 1HB CYS 84 54.221 1.222 7.835 630 2HB CYS 84 2HB CYS 84 52.573 1.019 7.243 631 HG CYS 84 HG CYS 84 52.351 3.446 7.702 632 H MET 85 H MET 85 52.392 -1.931 8.583 633 HA MET 85 HA MET 85 49.506 -1.574 8.101 634 1HB MET 85 1HB MET 85 51.625 -3.643 7.671 635 2HB MET 85 2HB MET 85 49.945 -4.179 7.689 636 1HG MET 85 1HG MET 85 49.370 -2.851 5.836 637 2HG MET 85 2HG MET 85 50.771 -1.799 6.040 638 1HE MET 85 1HE MET 85 49.105 -4.489 4.456 639 2HE MET 85 2HE MET 85 50.266 -5.533 3.643 640 3HE MET 85 3HE MET 85 49.952 -5.751 5.363 641 H LYS 86 H LYS 86 48.221 -1.573 9.920 642 HA LYS 86 HA LYS 86 48.291 -3.911 11.708 643 1HB LYS 86 1HB LYS 86 48.510 -2.288 13.705 644 2HB LYS 86 2HB LYS 86 49.975 -2.611 12.779 645 1HG LYS 86 1HG LYS 86 50.144 -0.455 12.138 646 2HG LYS 86 2HG LYS 86 48.455 -0.411 11.630 647 1HD LYS 86 1HD LYS 86 48.614 -0.522 14.513 648 2HD LYS 86 2HD LYS 86 49.579 0.825 13.907 649 1HE LYS 86 1HE LYS 86 46.833 0.389 12.762 650 2HE LYS 86 2HE LYS 86 46.999 1.181 14.342 651 1HZ LYS 86 1HZ LYS 86 48.681 2.653 13.334 652 2HZ LYS 86 2HZ LYS 86 48.354 1.963 11.816 653 3HZ LYS 86 3HZ LYS 86 47.150 2.841 12.630 654 H ASP 87 H ASP 87 46.217 -3.299 10.068 655 HA ASP 87 HA ASP 87 44.098 -2.490 11.976 656 1HB ASP 87 1HB ASP 87 45.223 -0.580 10.436 657 2HB ASP 87 2HB ASP 87 44.022 -1.188 9.295 658 H ASP 88 H ASP 88 43.788 -4.901 11.558 659 HA ASP 88 HA ASP 88 42.431 -5.411 8.932 660 1HB ASP 88 1HB ASP 88 44.500 -6.711 9.591 661 2HB ASP 88 2HB ASP 88 43.578 -7.377 10.938 662 H SER 89 H SER 89 40.247 -5.062 9.296 663 HA SER 89 HA SER 89 38.889 -5.362 11.790 664 1HB SER 89 1HB SER 89 38.275 -4.187 9.543 665 2HB SER 89 2HB SER 89 37.629 -5.758 9.079 666 HG SER 89 HG SER 89 35.945 -4.881 10.078 667 1H ARG 1 1H ARG 1 56.946 2.419 8.231 668 2H ARG 1 2H ARG 1 57.109 2.439 9.922 669 3H ARG 1 3H ARG 1 55.576 2.615 9.212 670 HA ARG 1 HA ARG 1 56.348 4.769 9.959 671 1HB ARG 1 1HB ARG 1 58.782 3.563 8.965 672 2HB ARG 1 2HB ARG 1 58.561 5.155 8.239 673 1HG ARG 1 1HG ARG 1 58.142 4.782 11.193 674 2HG ARG 1 2HG ARG 1 59.773 4.980 10.550 675 1HD ARG 1 1HD ARG 1 58.571 7.016 9.252 676 2HD ARG 1 2HD ARG 1 57.555 6.964 10.707 677 HE ARG 1 HE ARG 1 60.504 7.391 10.691 678 1HH1 ARG 1 1HH1 ARG 1 59.177 5.821 13.025 679 2HH1 ARG 1 2HH1 ARG 1 59.006 7.095 14.186 680 1HH2 ARG 1 1HH2 ARG 1 59.550 9.628 11.881 681 2HH2 ARG 1 2HH2 ARG 1 59.220 9.250 13.538 682 H ILE 2 H ILE 2 57.143 3.644 6.643 683 HA ILE 2 HA ILE 2 55.772 5.974 5.466 684 HB ILE 2 HB ILE 2 57.259 3.551 4.419 685 1HG1 ILE 2 1HG1 ILE 2 57.841 6.520 4.604 686 2HG1 ILE 2 2HG1 ILE 2 58.716 5.203 5.386 687 1HG2 ILE 2 1HG2 ILE 2 55.307 5.089 3.046 688 2HG2 ILE 2 2HG2 ILE 2 56.882 5.602 2.438 689 3HG2 ILE 2 3HG2 ILE 2 56.418 3.902 2.362 690 1HD1 ILE 2 1HD1 ILE 2 59.385 4.344 3.157 691 2HD1 ILE 2 2HD1 ILE 2 58.551 5.700 2.399 692 3HD1 ILE 2 3HD1 ILE 2 59.959 5.991 3.420 693 H SER 3 H SER 3 53.577 5.911 5.173 694 HA SER 3 HA SER 3 51.971 3.551 5.466 695 1HB SER 3 1HB SER 3 51.586 6.344 4.395 696 2HB SER 3 2HB SER 3 50.270 5.175 4.338 697 HG SER 3 HG SER 3 50.460 4.948 6.583 698 H ALA 4 H ALA 4 50.318 3.093 3.501 699 HA ALA 4 HA ALA 4 52.035 2.486 1.122 700 1HB ALA 4 1HB ALA 4 49.882 1.122 2.646 701 2HB ALA 4 2HB ALA 4 49.841 0.897 0.896 702 3HB ALA 4 3HB ALA 4 51.276 0.435 1.811 703 H ASP 5 H ASP 5 49.376 4.375 2.186 704 HA ASP 5 HA ASP 5 48.016 4.523 -0.414 705 1HB ASP 5 1HB ASP 5 47.780 5.725 2.325 706 2HB ASP 5 2HB ASP 5 46.940 6.507 0.987 707 H ALA 6 H ALA 6 50.297 6.493 1.466 708 HA ALA 6 HA ALA 6 50.236 8.805 -0.255 709 1HB ALA 6 1HB ALA 6 52.338 7.706 1.639 710 2HB ALA 6 2HB ALA 6 52.310 9.351 1.005 711 3HB ALA 6 3HB ALA 6 51.022 8.797 2.076 712 H MET 7 H MET 7 52.297 5.896 -0.155 713 HA MET 7 HA MET 7 54.164 6.718 -2.171 714 1HB MET 7 1HB MET 7 53.668 4.540 -0.465 715 2HB MET 7 2HB MET 7 53.613 3.864 -2.094 716 1HG MET 7 1HG MET 7 55.869 5.449 -0.842 717 2HG MET 7 2HG MET 7 55.908 3.766 -1.367 718 1HE MET 7 1HE MET 7 57.737 3.781 -2.522 719 2HE MET 7 2HE MET 7 56.891 3.165 -3.940 720 3HE MET 7 3HE MET 7 58.071 4.460 -4.121 721 H MET 8 H MET 8 51.092 4.913 -2.355 722 HA MET 8 HA MET 8 51.289 4.531 -5.251 723 1HB MET 8 1HB MET 8 48.962 4.236 -3.323 724 2HB MET 8 2HB MET 8 49.084 3.512 -4.927 725 1HG MET 8 1HG MET 8 50.979 2.958 -2.626 726 2HG MET 8 2HG MET 8 49.667 1.894 -3.134 727 1HE MET 8 1HE MET 8 53.148 2.062 -3.033 728 2HE MET 8 2HE MET 8 53.844 2.123 -4.651 729 3HE MET 8 3HE MET 8 53.043 3.546 -3.990 730 H GLN 9 H GLN 9 50.408 7.152 -3.265 731 HA GLN 9 HA GLN 9 48.289 8.247 -4.956 732 1HB GLN 9 1HB GLN 9 48.749 8.585 -2.444 733 2HB GLN 9 2HB GLN 9 50.021 9.700 -2.946 734 1HG GLN 9 1HG GLN 9 47.684 10.331 -4.453 735 2HG GLN 9 2HG GLN 9 47.205 10.192 -2.761 736 1HE2 GLN 9 2HE2 GLN 9 49.198 11.235 -1.288 737 2HE2 GLN 9 1HE2 GLN 9 49.606 12.810 -1.773 738 H ALA 10 H ALA 10 51.734 9.049 -4.386 739 HA ALA 10 HA ALA 10 51.767 11.061 -6.510 740 1HB ALA 10 1HB ALA 10 53.119 10.878 -4.304 741 2HB ALA 10 2HB ALA 10 54.136 9.739 -5.187 742 3HB ALA 10 3HB ALA 10 53.983 11.404 -5.749 743 H LEU 11 H LEU 11 53.441 7.919 -6.067 744 HA LEU 11 HA LEU 11 53.427 7.616 -9.050 745 1HB LEU 11 1HB LEU 11 55.708 6.777 -8.874 746 2HB LEU 11 2HB LEU 11 55.625 8.335 -8.057 747 HG LEU 11 HG LEU 11 55.057 5.947 -6.376 748 1HD1 LEU 11 1HD1 LEU 11 57.772 6.572 -7.554 749 2HD1 LEU 11 2HD1 LEU 11 57.576 5.666 -6.055 750 3HD1 LEU 11 3HD1 LEU 11 56.923 5.030 -7.565 751 1HD2 LEU 11 1HD2 LEU 11 56.424 8.621 -6.137 752 2HD2 LEU 11 2HD2 LEU 11 55.081 7.977 -5.193 753 3HD2 LEU 11 3HD2 LEU 11 56.715 7.370 -4.926 754 H LEU 12 H LEU 12 53.851 5.225 -9.633 755 HA LEU 12 HA LEU 12 53.282 2.938 -9.420 756 1HB LEU 12 1HB LEU 12 53.065 3.504 -6.454 757 2HB LEU 12 2HB LEU 12 53.567 2.012 -7.244 758 HG LEU 12 HG LEU 12 55.169 4.514 -7.699 759 1HD1 LEU 12 1HD1 LEU 12 54.844 4.291 -5.234 760 2HD1 LEU 12 2HD1 LEU 12 55.509 2.660 -5.329 761 3HD1 LEU 12 3HD1 LEU 12 56.518 4.050 -5.732 762 1HD2 LEU 12 1HD2 LEU 12 55.340 1.952 -8.646 763 2HD2 LEU 12 2HD2 LEU 12 56.708 3.059 -8.531 764 3HD2 LEU 12 3HD2 LEU 12 56.418 1.878 -7.253 765 H GLY 13 H GLY 13 51.198 4.098 -10.372 766 1HA GLY 13 1HA GLY 13 48.869 3.071 -10.153 767 2HA GLY 13 2HA GLY 13 48.919 3.647 -8.485 768 H ALA 14 H ALA 14 47.549 4.386 -11.324 769 HA ALA 14 HA ALA 14 46.617 6.368 -12.217 770 1HB ALA 14 1HB ALA 14 45.833 6.376 -9.830 771 2HB ALA 14 2HB ALA 14 47.241 7.353 -9.414 772 3HB ALA 14 3HB ALA 14 46.011 7.997 -10.502 773 H ARG 15 H ARG 15 47.195 8.984 -12.085 774 HA ARG 15 HA ARG 15 50.088 9.107 -12.825 775 1HB ARG 15 1HB ARG 15 47.987 9.720 -14.307 776 2HB ARG 15 2HB ARG 15 48.041 11.231 -13.396 777 1HG ARG 15 1HG ARG 15 49.668 11.951 -14.772 778 2HG ARG 15 2HG ARG 15 50.709 10.671 -14.146 779 1HD ARG 15 1HD ARG 15 50.540 9.489 -16.076 780 2HD ARG 15 2HD ARG 15 48.773 9.650 -16.092 781 HE ARG 15 HE ARG 15 49.654 12.194 -16.723 782 1HH1 ARG 15 1HH1 ARG 15 49.377 9.116 -18.134 783 2HH1 ARG 15 2HH1 ARG 15 50.050 9.582 -19.661 784 1HH2 ARG 15 1HH2 ARG 15 50.903 12.776 -18.610 785 2HH2 ARG 15 2HH2 ARG 15 50.911 11.656 -19.932 786 H ALA 16 H ALA 16 47.576 10.916 -11.029 787 HA ALA 16 HA ALA 16 49.357 11.652 -8.894 788 1HB ALA 16 1HB ALA 16 49.752 13.032 -11.285 789 2HB ALA 16 2HB ALA 16 48.772 14.138 -10.321 790 3HB ALA 16 3HB ALA 16 50.311 13.548 -9.693 791 H LYS 17 H LYS 17 46.512 12.612 -10.808 792 HA LYS 17 HA LYS 17 45.107 13.243 -8.232 793 1HB LYS 17 1HB LYS 17 43.818 14.872 -9.686 794 2HB LYS 17 2HB LYS 17 45.529 15.260 -9.502 795 1HG LYS 17 1HG LYS 17 46.017 14.769 -11.688 796 2HG LYS 17 2HG LYS 17 44.821 13.475 -11.771 797 1HD LYS 17 1HD LYS 17 43.273 14.862 -12.640 798 2HD LYS 17 2HD LYS 17 43.537 16.045 -11.360 799 1HE LYS 17 1HE LYS 17 44.302 17.311 -13.138 800 2HE LYS 17 2HE LYS 17 45.804 16.429 -12.802 801 1HZ LYS 17 1HZ LYS 17 44.197 14.729 -14.296 802 2HZ LYS 17 2HZ LYS 17 44.122 16.239 -15.070 803 3HZ LYS 17 3HZ LYS 17 45.624 15.497 -14.797 Start of MODEL 3 1 1H MET 1 1H MET 1 60.665 -11.363 20.623 2 2H MET 1 2H MET 1 61.109 -9.794 20.148 3 3H MET 1 3H MET 1 59.738 -10.034 21.124 4 HA MET 1 HA MET 1 59.029 -9.604 18.866 5 1HB MET 1 1HB MET 1 61.426 -10.698 18.272 6 2HB MET 1 2HB MET 1 60.389 -12.087 17.942 7 1HG MET 1 1HG MET 1 60.034 -11.135 15.917 8 2HG MET 1 2HG MET 1 58.997 -9.997 16.779 9 1HE MET 1 1HE MET 1 61.569 -10.701 14.609 10 2HE MET 1 2HE MET 1 60.893 -9.236 13.902 11 3HE MET 1 3HE MET 1 62.591 -9.283 14.391 12 H ASP 2 H ASP 2 57.706 -11.415 17.485 13 HA ASP 2 HA ASP 2 56.870 -13.777 18.960 14 1HB ASP 2 1HB ASP 2 55.735 -11.180 19.564 15 2HB ASP 2 2HB ASP 2 54.487 -12.264 18.950 16 H ASP 3 H ASP 3 57.654 -13.453 16.298 17 HA ASP 3 HA ASP 3 56.946 -13.875 14.081 18 1HB ASP 3 1HB ASP 3 56.186 -15.914 15.090 19 2HB ASP 3 2HB ASP 3 54.801 -15.108 15.827 20 H ILE 4 H ILE 4 56.600 -11.456 13.870 21 HA ILE 4 HA ILE 4 53.691 -10.741 13.733 22 HB ILE 4 HB ILE 4 56.241 -9.138 14.080 23 1HG1 ILE 4 1HG1 ILE 4 53.790 -9.543 15.826 24 2HG1 ILE 4 2HG1 ILE 4 55.375 -10.267 16.094 25 1HG2 ILE 4 1HG2 ILE 4 53.887 -8.310 12.779 26 2HG2 ILE 4 2HG2 ILE 4 53.784 -7.636 14.405 27 3HG2 ILE 4 3HG2 ILE 4 55.179 -7.276 13.388 28 1HD1 ILE 4 1HD1 ILE 4 56.365 -8.015 16.311 29 2HD1 ILE 4 2HD1 ILE 4 54.775 -7.295 16.058 30 3HD1 ILE 4 3HD1 ILE 4 55.086 -8.264 17.500 31 H TYR 5 H TYR 5 56.699 -9.657 12.110 32 HA TYR 5 HA TYR 5 55.273 -9.166 9.607 33 1HB TYR 5 1HB TYR 5 58.240 -9.237 10.239 34 2HB TYR 5 2HB TYR 5 57.475 -8.415 8.877 35 HD1 TYR 5 HD1 TYR 5 55.449 -6.798 9.623 36 HD2 TYR 5 HD2 TYR 5 58.780 -7.925 12.088 37 HE1 TYR 5 HE1 TYR 5 55.087 -4.787 11.028 38 HE2 TYR 5 HE2 TYR 5 58.419 -5.914 13.495 39 HH TYR 5 HH TYR 5 57.302 -3.984 13.688 40 H LYS 6 H LYS 6 57.877 -11.436 10.598 41 HA LYS 6 HA LYS 6 58.254 -12.902 8.281 42 1HB LYS 6 1HB LYS 6 58.968 -14.657 9.741 43 2HB LYS 6 2HB LYS 6 59.224 -13.168 10.652 44 1HG LYS 6 1HG LYS 6 57.022 -13.498 11.761 45 2HG LYS 6 2HG LYS 6 56.839 -15.024 10.897 46 1HD LYS 6 1HD LYS 6 59.120 -14.364 12.783 47 2HD LYS 6 2HD LYS 6 57.724 -15.359 13.197 48 1HE LYS 6 1HE LYS 6 58.632 -17.176 12.186 49 2HE LYS 6 2HE LYS 6 58.979 -16.250 10.712 50 1HZ LYS 6 1HZ LYS 6 60.792 -15.152 12.101 51 2HZ LYS 6 2HZ LYS 6 60.601 -16.453 13.176 52 3HZ LYS 6 3HZ LYS 6 61.079 -16.742 11.574 53 H ALA 7 H ALA 7 55.455 -12.959 10.421 54 HA ALA 7 HA ALA 7 54.198 -15.254 9.097 55 1HB ALA 7 1HB ALA 7 54.023 -14.039 11.534 56 2HB ALA 7 2HB ALA 7 52.608 -13.360 10.731 57 3HB ALA 7 3HB ALA 7 52.779 -15.108 10.889 58 H ALA 8 H ALA 8 53.961 -11.717 8.971 59 HA ALA 8 HA ALA 8 51.648 -11.687 7.191 60 1HB ALA 8 1HB ALA 8 53.712 -9.673 8.119 61 2HB ALA 8 2HB ALA 8 52.384 -9.240 7.043 62 3HB ALA 8 3HB ALA 8 52.044 -9.833 8.668 63 H VAL 9 H VAL 9 55.173 -11.333 6.810 64 HA VAL 9 HA VAL 9 55.177 -10.696 4.016 65 HB VAL 9 HB VAL 9 57.248 -12.234 5.611 66 1HG1 VAL 9 1HG1 VAL 9 57.271 -11.586 2.980 67 2HG1 VAL 9 2HG1 VAL 9 57.954 -10.109 3.662 68 3HG1 VAL 9 3HG1 VAL 9 58.732 -11.663 3.966 69 1HG2 VAL 9 1HG2 VAL 9 56.114 -9.770 6.295 70 2HG2 VAL 9 2HG2 VAL 9 57.657 -10.402 6.869 71 3HG2 VAL 9 3HG2 VAL 9 57.607 -9.344 5.460 72 H GLU 10 H GLU 10 55.625 -13.819 5.707 73 HA GLU 10 HA GLU 10 55.844 -15.425 3.346 74 1HB GLU 10 1HB GLU 10 55.636 -15.693 6.235 75 2HB GLU 10 2HB GLU 10 54.735 -16.969 5.416 76 1HG GLU 10 1HG GLU 10 56.873 -17.175 3.924 77 2HG GLU 10 2HG GLU 10 57.671 -16.334 5.255 78 H GLN 11 H GLN 11 53.132 -13.858 4.769 79 HA GLN 11 HA GLN 11 51.209 -15.730 3.461 80 1HB GLN 11 1HB GLN 11 51.229 -13.828 5.740 81 2HB GLN 11 2HB GLN 11 49.716 -13.923 4.838 82 1HG GLN 11 1HG GLN 11 50.152 -16.534 5.037 83 2HG GLN 11 2HG GLN 11 51.105 -16.038 6.437 84 1HE2 GLN 11 2HE2 GLN 11 49.966 -15.038 8.247 85 2HE2 GLN 11 1HE2 GLN 11 48.275 -15.110 8.375 86 H LEU 12 H LEU 12 52.572 -12.525 3.202 87 HA LEU 12 HA LEU 12 50.609 -11.087 1.810 88 1HB LEU 12 1HB LEU 12 53.574 -11.212 1.936 89 2HB LEU 12 2HB LEU 12 52.902 -10.352 0.550 90 HG LEU 12 HG LEU 12 52.027 -9.827 3.400 91 1HD1 LEU 12 1HD1 LEU 12 54.397 -8.913 1.890 92 2HD1 LEU 12 2HD1 LEU 12 53.454 -7.622 2.636 93 3HD1 LEU 12 3HD1 LEU 12 54.105 -8.926 3.630 94 1HD2 LEU 12 1HD2 LEU 12 51.196 -8.948 0.756 95 2HD2 LEU 12 2HD2 LEU 12 50.430 -8.655 2.316 96 3HD2 LEU 12 3HD2 LEU 12 51.705 -7.580 1.746 97 H THR 13 H THR 13 49.412 -11.877 0.118 98 HA THR 13 HA THR 13 50.161 -14.009 -1.614 99 HB THR 13 HB THR 13 48.235 -13.092 -2.968 100 HG1 THR 13 HG1 THR 13 47.297 -11.222 -2.296 101 1HG2 THR 13 1HG2 THR 13 48.189 -14.395 -0.614 102 2HG2 THR 13 2HG2 THR 13 47.357 -12.916 -0.131 103 3HG2 THR 13 3HG2 THR 13 46.717 -13.898 -1.449 104 H GLU 14 H GLU 14 50.238 -13.605 -4.120 105 HA GLU 14 HA GLU 14 52.626 -12.079 -4.710 106 1HB GLU 14 1HB GLU 14 51.981 -14.158 -5.851 107 2HB GLU 14 2HB GLU 14 50.517 -13.385 -6.462 108 1HG GLU 14 1HG GLU 14 52.399 -11.611 -7.308 109 2HG GLU 14 2HG GLU 14 53.318 -13.114 -7.384 110 H GLU 15 H GLU 15 49.152 -11.495 -5.129 111 HA GLU 15 HA GLU 15 49.274 -9.258 -6.881 112 1HB GLU 15 1HB GLU 15 47.348 -10.730 -5.687 113 2HB GLU 15 2HB GLU 15 47.288 -9.295 -4.662 114 1HG GLU 15 1HG GLU 15 45.755 -8.866 -6.436 115 2HG GLU 15 2HG GLU 15 47.198 -7.933 -6.828 116 H GLN 16 H GLN 16 50.219 -9.576 -3.564 117 HA GLN 16 HA GLN 16 49.982 -6.726 -2.902 118 1HB GLN 16 1HB GLN 16 51.689 -8.737 -1.446 119 2HB GLN 16 2HB GLN 16 50.724 -7.422 -0.780 120 1HG GLN 16 1HG GLN 16 48.856 -9.025 -2.087 121 2HG GLN 16 2HG GLN 16 49.959 -10.179 -1.338 122 1HE2 GLN 16 2HE2 GLN 16 48.880 -6.926 -0.217 123 2HE2 GLN 16 1HE2 GLN 16 48.271 -7.476 1.269 124 H LYS 17 H LYS 17 52.849 -8.865 -2.895 125 HA LYS 17 HA LYS 17 54.814 -6.857 -3.056 126 1HB LYS 17 1HB LYS 17 56.248 -8.682 -3.836 127 2HB LYS 17 2HB LYS 17 55.126 -9.302 -2.625 128 1HG LYS 17 1HG LYS 17 53.601 -9.969 -4.549 129 2HG LYS 17 2HG LYS 17 54.947 -9.601 -5.631 130 1HD LYS 17 1HD LYS 17 55.393 -11.413 -3.277 131 2HD LYS 17 2HD LYS 17 54.644 -12.054 -4.739 132 1HE LYS 17 1HE LYS 17 56.773 -10.608 -5.757 133 2HE LYS 17 2HE LYS 17 57.445 -11.303 -4.269 134 1HZ LYS 17 1HZ LYS 17 55.957 -13.331 -5.225 135 2HZ LYS 17 2HZ LYS 17 56.524 -12.636 -6.665 136 3HZ LYS 17 3HZ LYS 17 57.628 -13.164 -5.486 137 H ASN 18 H ASN 18 52.859 -8.291 -5.634 138 HA ASN 18 HA ASN 18 54.310 -7.361 -7.897 139 1HB ASN 18 1HB ASN 18 51.438 -8.013 -7.262 140 2HB ASN 18 2HB ASN 18 51.876 -7.420 -8.865 141 1HD2 ASN 18 2HD2 ASN 18 51.231 -9.657 -9.634 142 2HD2 ASN 18 1HD2 ASN 18 52.354 -10.923 -9.493 143 H GLU 19 H GLU 19 51.718 -5.782 -6.003 144 HA GLU 19 HA GLU 19 51.650 -3.371 -7.595 145 1HB GLU 19 1HB GLU 19 49.996 -4.454 -5.853 146 2HB GLU 19 2HB GLU 19 50.931 -3.531 -4.676 147 1HG GLU 19 1HG GLU 19 50.110 -1.533 -5.399 148 2HG GLU 19 2HG GLU 19 50.131 -2.026 -7.092 149 H PHE 20 H PHE 20 53.274 -4.260 -4.541 150 HA PHE 20 HA PHE 20 54.493 -1.683 -4.096 151 1HB PHE 20 1HB PHE 20 55.361 -4.450 -3.199 152 2HB PHE 20 2HB PHE 20 55.741 -2.921 -2.406 153 HD1 PHE 20 HD1 PHE 20 53.362 -1.414 -2.247 154 HD2 PHE 20 HD2 PHE 20 53.792 -5.682 -1.991 155 HE1 PHE 20 HE1 PHE 20 51.245 -1.550 -0.962 156 HE2 PHE 20 HE2 PHE 20 51.674 -5.815 -0.705 157 HZ PHE 20 HZ PHE 20 50.402 -3.751 -0.192 158 H LYS 21 H LYS 21 55.482 -4.601 -5.851 159 HA LYS 21 HA LYS 21 58.200 -4.249 -6.253 160 1HB LYS 21 1HB LYS 21 55.894 -5.301 -7.771 161 2HB LYS 21 2HB LYS 21 57.296 -4.906 -8.765 162 1HG LYS 21 1HG LYS 21 57.473 -6.577 -6.246 163 2HG LYS 21 2HG LYS 21 57.276 -7.273 -7.855 164 1HD LYS 21 1HD LYS 21 59.499 -5.325 -7.244 165 2HD LYS 21 2HD LYS 21 59.685 -7.056 -6.957 166 1HE LYS 21 1HE LYS 21 58.607 -6.262 -9.624 167 2HE LYS 21 2HE LYS 21 60.327 -5.947 -9.323 168 1HZ LYS 21 1HZ LYS 21 59.326 -8.494 -8.358 169 2HZ LYS 21 2HZ LYS 21 59.379 -8.338 -10.048 170 3HZ LYS 21 3HZ LYS 21 60.792 -8.129 -9.134 171 H ALA 22 H ALA 22 55.591 -2.592 -8.068 172 HA ALA 22 HA ALA 22 57.051 -1.068 -9.878 173 1HB ALA 22 1HB ALA 22 54.484 -1.074 -8.654 174 2HB ALA 22 2HB ALA 22 55.083 0.584 -8.569 175 3HB ALA 22 3HB ALA 22 54.965 -0.233 -10.128 176 H ALA 23 H ALA 23 56.274 -0.080 -6.516 177 HA ALA 23 HA ALA 23 57.863 2.285 -6.483 178 1HB ALA 23 1HB ALA 23 56.775 0.340 -4.460 179 2HB ALA 23 2HB ALA 23 57.827 1.651 -3.926 180 3HB ALA 23 3HB ALA 23 56.309 2.015 -4.746 181 H PHE 24 H PHE 24 58.652 -0.982 -5.214 182 HA PHE 24 HA PHE 24 61.293 -0.578 -4.405 183 1HB PHE 24 1HB PHE 24 60.226 -2.686 -4.067 184 2HB PHE 24 2HB PHE 24 59.878 -2.868 -5.786 185 HD1 PHE 24 HD1 PHE 24 61.841 -3.114 -7.407 186 HD2 PHE 24 HD2 PHE 24 62.250 -3.501 -3.148 187 HE1 PHE 24 HE1 PHE 24 63.993 -4.304 -7.722 188 HE2 PHE 24 HE2 PHE 24 64.402 -4.691 -3.464 189 HZ PHE 24 HZ PHE 24 65.274 -5.093 -5.751 190 H ASP 25 H ASP 25 60.043 -1.023 -7.696 191 HA ASP 25 HA ASP 25 62.615 -1.181 -9.003 192 1HB ASP 25 1HB ASP 25 60.043 -1.660 -9.677 193 2HB ASP 25 2HB ASP 25 60.226 -0.054 -10.384 194 H ILE 26 H ILE 26 60.316 1.495 -8.420 195 HA ILE 26 HA ILE 26 61.963 3.499 -9.724 196 HB ILE 26 HB ILE 26 59.569 3.448 -7.890 197 1HG1 ILE 26 1HG1 ILE 26 58.928 4.868 -10.136 198 2HG1 ILE 26 2HG1 ILE 26 60.147 3.762 -10.773 199 1HG2 ILE 26 1HG2 ILE 26 60.915 5.436 -7.274 200 2HG2 ILE 26 2HG2 ILE 26 60.954 5.926 -8.967 201 3HG2 ILE 26 3HG2 ILE 26 59.423 5.897 -8.092 202 1HD1 ILE 26 1HD1 ILE 26 57.964 2.716 -8.993 203 2HD1 ILE 26 2HD1 ILE 26 57.646 2.991 -10.707 204 3HD1 ILE 26 3HD1 ILE 26 58.910 1.861 -10.213 205 H PHE 27 H PHE 27 61.737 2.171 -6.479 206 HA PHE 27 HA PHE 27 63.172 4.285 -5.119 207 1HB PHE 27 1HB PHE 27 62.174 1.536 -4.614 208 2HB PHE 27 2HB PHE 27 63.513 2.061 -3.594 209 HD1 PHE 27 HD1 PHE 27 60.290 3.422 -4.968 210 HD2 PHE 27 HD2 PHE 27 62.995 3.207 -1.639 211 HE1 PHE 27 HE1 PHE 27 58.730 4.793 -3.612 212 HE2 PHE 27 HE2 PHE 27 61.437 4.576 -0.282 213 HZ PHE 27 HZ PHE 27 59.304 5.370 -1.269 214 H VAL 28 H VAL 28 64.144 1.425 -6.927 215 HA VAL 28 HA VAL 28 66.989 1.841 -6.099 216 HB VAL 28 HB VAL 28 67.283 -0.431 -6.940 217 1HG1 VAL 28 1HG1 VAL 28 64.857 0.072 -5.220 218 2HG1 VAL 28 2HG1 VAL 28 65.377 -1.570 -5.598 219 3HG1 VAL 28 3HG1 VAL 28 66.459 -0.481 -4.729 220 1HG2 VAL 28 1HG2 VAL 28 64.896 0.267 -8.437 221 2HG2 VAL 28 2HG2 VAL 28 66.026 -1.060 -8.705 222 3HG2 VAL 28 3HG2 VAL 28 64.677 -1.265 -7.589 223 H LEU 29 H LEU 29 65.022 3.068 -8.363 224 HA LEU 29 HA LEU 29 65.937 2.616 -10.928 225 1HB LEU 29 1HB LEU 29 64.531 4.578 -9.514 226 2HB LEU 29 2HB LEU 29 65.835 5.464 -10.303 227 HG LEU 29 HG LEU 29 63.956 3.541 -11.705 228 1HD1 LEU 29 1HD1 LEU 29 63.664 6.314 -10.940 229 2HD1 LEU 29 2HD1 LEU 29 63.699 6.171 -12.698 230 3HD1 LEU 29 3HD1 LEU 29 62.509 5.265 -11.762 231 1HD2 LEU 29 1HD2 LEU 29 66.299 3.822 -12.634 232 2HD2 LEU 29 2HD2 LEU 29 65.009 4.302 -13.736 233 3HD2 LEU 29 3HD2 LEU 29 65.927 5.530 -12.864 234 H GLY 30 H GLY 30 68.136 2.123 -11.237 235 1HA GLY 30 1HA GLY 30 70.204 3.278 -12.010 236 2HA GLY 30 2HA GLY 30 70.053 4.332 -10.604 237 H ALA 31 H ALA 31 69.146 1.479 -9.376 238 HA ALA 31 HA ALA 31 71.633 1.040 -7.969 239 1HB ALA 31 1HB ALA 31 69.084 -0.578 -8.282 240 2HB ALA 31 2HB ALA 31 70.346 -0.940 -7.104 241 3HB ALA 31 3HB ALA 31 69.448 0.573 -6.997 242 H GLU 32 H GLU 32 72.693 -1.198 -7.969 243 HA GLU 32 HA GLU 32 73.112 -2.071 -10.794 244 1HB GLU 32 1HB GLU 32 74.808 -1.355 -8.721 245 2HB GLU 32 2HB GLU 32 74.867 -3.118 -8.683 246 1HG GLU 32 1HG GLU 32 75.647 -3.262 -10.905 247 2HG GLU 32 2HG GLU 32 75.139 -1.616 -11.283 248 H ASP 33 H ASP 33 73.206 -3.679 -7.589 249 HA ASP 33 HA ASP 33 72.379 -6.234 -8.748 250 1HB ASP 33 1HB ASP 33 72.935 -5.142 -5.985 251 2HB ASP 33 2HB ASP 33 72.369 -6.795 -6.225 252 H GLY 34 H GLY 34 70.824 -3.550 -7.089 253 1HA GLY 34 1HA GLY 34 68.380 -3.288 -7.564 254 2HA GLY 34 2HA GLY 34 68.228 -5.025 -7.297 255 H CYS 35 H CYS 35 69.636 -2.244 -5.524 256 HA CYS 35 HA CYS 35 68.067 -3.116 -3.129 257 1HB CYS 35 1HB CYS 35 71.027 -2.748 -3.503 258 2HB CYS 35 2HB CYS 35 70.314 -2.437 -1.920 259 HG CYS 35 HG CYS 35 70.243 -4.881 -1.575 260 H ILE 36 H ILE 36 68.630 -1.233 -1.345 261 HA ILE 36 HA ILE 36 68.364 1.399 -2.764 262 HB ILE 36 HB ILE 36 66.816 0.257 -0.416 263 1HG1 ILE 36 1HG1 ILE 36 65.782 1.265 -3.074 264 2HG1 ILE 36 2HG1 ILE 36 66.249 -0.418 -2.828 265 1HG2 ILE 36 1HG2 ILE 36 67.181 3.033 -1.427 266 2HG2 ILE 36 2HG2 ILE 36 65.540 2.556 -0.992 267 3HG2 ILE 36 3HG2 ILE 36 66.831 2.467 0.207 268 1HD1 ILE 36 1HD1 ILE 36 64.610 0.340 -0.624 269 2HD1 ILE 36 2HD1 ILE 36 63.795 0.866 -2.096 270 3HD1 ILE 36 3HD1 ILE 36 64.245 -0.827 -1.895 271 H SER 37 H SER 37 69.137 3.220 -1.526 272 HA SER 37 HA SER 37 70.523 2.755 1.042 273 1HB SER 37 1HB SER 37 71.916 2.076 -1.088 274 2HB SER 37 2HB SER 37 72.109 3.816 -1.271 275 HG SER 37 HG SER 37 73.721 2.607 0.051 276 H THR 38 H THR 38 68.374 4.439 -0.039 277 HA THR 38 HA THR 38 67.595 6.627 0.433 278 HB THR 38 HB THR 38 68.892 8.029 1.764 279 HG1 THR 38 HG1 THR 38 70.607 8.606 0.685 280 1HG2 THR 38 1HG2 THR 38 69.029 5.325 2.336 281 2HG2 THR 38 2HG2 THR 38 70.707 5.848 2.476 282 3HG2 THR 38 3HG2 THR 38 69.456 6.633 3.441 283 H LYS 39 H LYS 39 70.739 6.433 -1.282 284 HA LYS 39 HA LYS 39 70.544 8.762 -2.859 285 1HB LYS 39 1HB LYS 39 71.732 6.018 -3.163 286 2HB LYS 39 2HB LYS 39 71.796 7.132 -4.528 287 1HG LYS 39 1HG LYS 39 72.823 8.843 -3.001 288 2HG LYS 39 2HG LYS 39 72.899 7.604 -1.747 289 1HD LYS 39 1HD LYS 39 74.622 6.497 -2.756 290 2HD LYS 39 2HD LYS 39 74.009 6.818 -4.379 291 1HE LYS 39 1HE LYS 39 75.487 8.517 -4.600 292 2HE LYS 39 2HE LYS 39 74.789 9.316 -3.177 293 1HZ LYS 39 1HZ LYS 39 76.070 7.384 -1.963 294 2HZ LYS 39 2HZ LYS 39 77.055 7.469 -3.340 295 3HZ LYS 39 3HZ LYS 39 76.849 8.841 -2.361 296 H GLU 40 H GLU 40 69.218 5.504 -3.464 297 HA GLU 40 HA GLU 40 67.779 6.471 -5.873 298 1HB GLU 40 1HB GLU 40 67.631 3.736 -4.589 299 2HB GLU 40 2HB GLU 40 67.435 4.156 -6.290 300 1HG GLU 40 1HG GLU 40 70.045 4.529 -4.800 301 2HG GLU 40 2HG GLU 40 69.645 3.059 -5.688 302 H LEU 41 H LEU 41 67.290 5.907 -2.509 303 HA LEU 41 HA LEU 41 64.383 5.550 -2.650 304 1HB LEU 41 1HB LEU 41 65.186 4.487 -0.790 305 2HB LEU 41 2HB LEU 41 66.601 5.528 -0.693 306 HG LEU 41 HG LEU 41 65.113 7.343 0.224 307 1HD1 LEU 41 1HD1 LEU 41 63.001 6.380 -0.716 308 2HD1 LEU 41 2HD1 LEU 41 63.116 5.076 0.465 309 3HD1 LEU 41 3HD1 LEU 41 62.892 6.738 1.007 310 1HD2 LEU 41 1HD2 LEU 41 65.435 4.692 1.637 311 2HD2 LEU 41 2HD2 LEU 41 66.397 6.159 1.829 312 3HD2 LEU 41 3HD2 LEU 41 64.749 6.096 2.456 313 H GLY 42 H GLY 42 66.541 8.104 -1.333 314 1HA GLY 42 1HA GLY 42 64.650 10.011 -0.628 315 2HA GLY 42 2HA GLY 42 66.226 10.441 -1.294 316 H LYS 43 H LYS 43 65.874 9.313 -3.890 317 HA LYS 43 HA LYS 43 64.843 11.381 -5.410 318 1HB LYS 43 1HB LYS 43 64.622 8.408 -5.985 319 2HB LYS 43 2HB LYS 43 64.666 9.697 -7.188 320 1HG LYS 43 1HG LYS 43 66.916 10.357 -6.027 321 2HG LYS 43 2HG LYS 43 66.875 8.710 -5.400 322 1HD LYS 43 1HD LYS 43 68.114 8.632 -7.452 323 2HD LYS 43 2HD LYS 43 66.534 7.923 -7.787 324 1HE LYS 43 1HE LYS 43 66.024 10.554 -8.327 325 2HE LYS 43 2HE LYS 43 67.723 10.426 -8.826 326 1HZ LYS 43 1HZ LYS 43 66.782 8.127 -9.746 327 2HZ LYS 43 2HZ LYS 43 65.374 9.067 -9.887 328 3HZ LYS 43 3HZ LYS 43 66.795 9.548 -10.678 329 H VAL 44 H VAL 44 63.002 8.668 -4.005 330 HA VAL 44 HA VAL 44 60.488 9.415 -5.255 331 HB VAL 44 HB VAL 44 61.305 7.639 -2.940 332 1HG1 VAL 44 1HG1 VAL 44 58.650 8.532 -3.840 333 2HG1 VAL 44 2HG1 VAL 44 58.823 6.778 -3.766 334 3HG1 VAL 44 3HG1 VAL 44 59.122 7.755 -2.329 335 1HG2 VAL 44 1HG2 VAL 44 61.406 7.378 -5.763 336 2HG2 VAL 44 2HG2 VAL 44 61.716 6.127 -4.559 337 3HG2 VAL 44 3HG2 VAL 44 60.091 6.342 -5.210 338 H MET 45 H MET 45 62.045 10.103 -2.137 339 HA MET 45 HA MET 45 59.862 11.192 -0.710 340 1HB MET 45 1HB MET 45 62.831 11.570 -0.808 341 2HB MET 45 2HB MET 45 61.883 12.694 0.168 342 1HG MET 45 1HG MET 45 62.640 10.746 1.501 343 2HG MET 45 2HG MET 45 60.882 10.817 1.393 344 1HE MET 45 1HE MET 45 59.479 9.618 0.431 345 2HE MET 45 2HE MET 45 59.798 9.159 -1.247 346 3HE MET 45 3HE MET 45 59.636 7.919 -0.007 347 H ARG 46 H ARG 46 62.308 13.144 -2.466 348 HA ARG 46 HA ARG 46 60.882 15.583 -2.447 349 1HB ARG 46 1HB ARG 46 62.460 16.213 -4.164 350 2HB ARG 46 2HB ARG 46 63.289 15.073 -3.101 351 1HG ARG 46 1HG ARG 46 62.586 13.233 -4.702 352 2HG ARG 46 2HG ARG 46 62.058 14.503 -5.808 353 1HD ARG 46 1HD ARG 46 64.860 14.470 -4.660 354 2HD ARG 46 2HD ARG 46 64.450 13.627 -6.167 355 HE ARG 46 HE ARG 46 64.132 15.734 -7.214 356 1HH1 ARG 46 1HH1 ARG 46 65.644 16.193 -4.299 357 2HH1 ARG 46 2HH1 ARG 46 65.121 17.826 -4.062 358 1HH2 ARG 46 1HH2 ARG 46 62.869 17.768 -6.697 359 2HH2 ARG 46 2HH2 ARG 46 63.549 18.718 -5.419 360 H MET 47 H MET 47 60.318 12.699 -4.291 361 HA MET 47 HA MET 47 58.762 14.027 -6.406 362 1HB MET 47 1HB MET 47 59.802 11.360 -5.700 363 2HB MET 47 2HB MET 47 58.231 11.323 -6.500 364 1HG MET 47 1HG MET 47 59.046 12.277 -8.453 365 2HG MET 47 2HG MET 47 60.374 13.087 -7.624 366 1HE MET 47 1HE MET 47 58.653 10.120 -8.598 367 2HE MET 47 2HE MET 47 59.823 9.298 -9.628 368 3HE MET 47 3HE MET 47 59.601 8.784 -7.949 369 H LEU 48 H LEU 48 58.136 12.137 -3.456 370 HA LEU 48 HA LEU 48 55.279 11.938 -3.800 371 1HB LEU 48 1HB LEU 48 57.158 11.807 -1.424 372 2HB LEU 48 2HB LEU 48 55.437 11.443 -1.306 373 HG LEU 48 HG LEU 48 57.321 10.056 -3.234 374 1HD1 LEU 48 1HD1 LEU 48 57.828 9.661 -0.779 375 2HD1 LEU 48 2HD1 LEU 48 56.205 8.983 -0.630 376 3HD1 LEU 48 3HD1 LEU 48 57.390 8.214 -1.688 377 1HD2 LEU 48 1HD2 LEU 48 54.855 10.128 -3.772 378 2HD2 LEU 48 2HD2 LEU 48 55.488 8.501 -3.530 379 3HD2 LEU 48 3HD2 LEU 48 54.557 9.285 -2.253 380 H GLY 49 H GLY 49 57.325 14.563 -2.975 381 1HA GLY 49 1HA GLY 49 56.377 16.825 -2.884 382 2HA GLY 49 2HA GLY 49 54.935 16.139 -2.132 383 H GLN 50 H GLN 50 57.918 14.856 -1.026 384 HA GLN 50 HA GLN 50 57.984 16.728 1.303 385 1HB GLN 50 1HB GLN 50 56.759 14.220 1.279 386 2HB GLN 50 2HB GLN 50 58.336 13.912 2.011 387 1HG GLN 50 1HG GLN 50 56.968 16.355 2.964 388 2HG GLN 50 2HG GLN 50 56.180 14.838 3.398 389 1HE2 GLN 50 2HE2 GLN 50 58.356 16.992 4.614 390 2HE2 GLN 50 1HE2 GLN 50 59.324 15.948 5.537 391 H ASN 51 H ASN 51 60.051 16.588 2.484 392 HA ASN 51 HA ASN 51 62.225 15.042 1.171 393 1HB ASN 51 1HB ASN 51 61.893 17.275 0.027 394 2HB ASN 51 2HB ASN 51 62.312 18.050 1.555 395 1HD2 ASN 51 2HD2 ASN 51 63.777 17.798 -1.190 396 2HD2 ASN 51 1HD2 ASN 51 65.340 17.301 -0.751 397 HA PRO 52 HA PRO 52 62.648 15.236 5.735 398 1HB PRO 52 1HB PRO 52 63.560 12.667 5.984 399 2HB PRO 52 2HB PRO 52 61.833 13.077 5.922 400 1HG PRO 52 1HG PRO 52 63.607 12.029 3.773 401 2HG PRO 52 2HG PRO 52 61.922 11.629 4.140 402 1HD PRO 52 1HD PRO 52 62.659 13.305 2.124 403 2HD PRO 52 2HD PRO 52 61.104 13.426 2.978 404 H THR 53 H THR 53 64.699 14.878 7.037 405 HA THR 53 HA THR 53 67.003 15.951 5.683 406 HB THR 53 HB THR 53 68.025 15.155 7.978 407 HG1 THR 53 HG1 THR 53 66.642 13.814 8.845 408 1HG2 THR 53 1HG2 THR 53 66.237 17.322 7.218 409 2HG2 THR 53 2HG2 THR 53 66.123 16.956 8.939 410 3HG2 THR 53 3HG2 THR 53 67.682 17.368 8.228 411 HA PRO 54 HA PRO 54 69.104 12.338 4.334 412 1HB PRO 54 1HB PRO 54 71.693 12.793 5.106 413 2HB PRO 54 2HB PRO 54 70.917 13.665 3.770 414 1HG PRO 54 1HG PRO 54 71.383 14.535 6.577 415 2HG PRO 54 2HG PRO 54 71.506 15.461 5.074 416 1HD PRO 54 1HD PRO 54 69.373 15.626 6.760 417 2HD PRO 54 2HD PRO 54 69.257 15.905 5.009 418 H GLU 55 H GLU 55 69.240 13.217 7.692 419 HA GLU 55 HA GLU 55 70.504 10.768 8.648 420 1HB GLU 55 1HB GLU 55 70.585 12.893 9.876 421 2HB GLU 55 2HB GLU 55 68.824 12.921 9.979 422 1HG GLU 55 1HG GLU 55 69.208 10.518 11.065 423 2HG GLU 55 2HG GLU 55 70.781 11.213 11.457 424 H GLU 56 H GLU 56 67.163 11.978 8.365 425 HA GLU 56 HA GLU 56 65.906 9.679 9.582 426 1HB GLU 56 1HB GLU 56 64.911 11.940 9.340 427 2HB GLU 56 2HB GLU 56 64.888 11.734 7.589 428 1HG GLU 56 1HG GLU 56 63.282 9.983 7.711 429 2HG GLU 56 2HG GLU 56 63.515 9.785 9.448 430 H LEU 57 H LEU 57 67.068 10.409 6.351 431 HA LEU 57 HA LEU 57 65.608 8.562 4.783 432 1HB LEU 57 1HB LEU 57 68.022 10.151 4.672 433 2HB LEU 57 2HB LEU 57 68.305 8.582 3.917 434 HG LEU 57 HG LEU 57 66.089 10.541 3.252 435 1HD1 LEU 57 1HD1 LEU 57 68.753 10.020 2.210 436 2HD1 LEU 57 2HD1 LEU 57 67.526 9.766 0.970 437 3HD1 LEU 57 3HD1 LEU 57 67.633 11.318 1.800 438 1HD2 LEU 57 1HD2 LEU 57 66.021 7.738 3.117 439 2HD2 LEU 57 2HD2 LEU 57 64.942 8.855 2.282 440 3HD2 LEU 57 3HD2 LEU 57 66.393 8.261 1.474 441 H GLN 58 H GLN 58 68.849 8.024 6.231 442 HA GLN 58 HA GLN 58 69.164 5.305 5.712 443 1HB GLN 58 1HB GLN 58 70.448 7.243 7.137 444 2HB GLN 58 2HB GLN 58 69.857 6.220 8.448 445 1HG GLN 58 1HG GLN 58 71.514 5.305 6.078 446 2HG GLN 58 2HG GLN 58 72.078 5.463 7.742 447 1HE2 GLN 58 2HE2 GLN 58 71.597 3.022 5.833 448 2HE2 GLN 58 1HE2 GLN 58 70.729 1.940 6.812 449 H GLU 59 H GLU 59 67.356 6.804 8.400 450 HA GLU 59 HA GLU 59 66.640 4.564 9.907 451 1HB GLU 59 1HB GLU 59 65.726 7.264 9.409 452 2HB GLU 59 2HB GLU 59 64.342 6.198 9.655 453 1HG GLU 59 1HG GLU 59 65.341 5.370 11.749 454 2HG GLU 59 2HG GLU 59 66.733 6.425 11.506 455 H MET 60 H MET 60 64.889 5.858 7.058 456 HA MET 60 HA MET 60 62.812 4.006 6.846 457 1HB MET 60 1HB MET 60 64.508 5.583 4.946 458 2HB MET 60 2HB MET 60 63.373 4.413 4.271 459 1HG MET 60 1HG MET 60 61.748 5.953 4.528 460 2HG MET 60 2HG MET 60 61.934 5.767 6.273 461 1HE MET 60 1HE MET 60 61.572 7.727 3.616 462 2HE MET 60 2HE MET 60 61.105 8.886 4.868 463 3HE MET 60 3HE MET 60 62.431 9.258 3.769 464 H ILE 61 H ILE 61 66.218 3.592 5.938 465 HA ILE 61 HA ILE 61 65.789 0.976 4.698 466 HB ILE 61 HB ILE 61 68.150 2.678 5.508 467 1HG1 ILE 61 1HG1 ILE 61 68.400 2.240 2.869 468 2HG1 ILE 61 2HG1 ILE 61 66.657 2.005 3.013 469 1HG2 ILE 61 1HG2 ILE 61 68.097 -0.187 5.099 470 2HG2 ILE 61 2HG2 ILE 61 69.049 0.593 3.835 471 3HG2 ILE 61 3HG2 ILE 61 69.460 0.845 5.532 472 1HD1 ILE 61 1HD1 ILE 61 66.468 4.200 4.147 473 2HD1 ILE 61 2HD1 ILE 61 68.202 4.441 3.945 474 3HD1 ILE 61 3HD1 ILE 61 67.153 4.360 2.530 475 H ASP 62 H ASP 62 67.373 2.106 7.710 476 HA ASP 62 HA ASP 62 67.919 -0.501 8.762 477 1HB ASP 62 1HB ASP 62 68.523 2.085 9.371 478 2HB ASP 62 2HB ASP 62 67.334 1.729 10.627 479 H GLU 63 H GLU 63 65.054 1.556 8.871 480 HA GLU 63 HA GLU 63 63.591 0.489 10.997 481 1HB GLU 63 1HB GLU 63 63.179 2.157 8.834 482 2HB GLU 63 2HB GLU 63 62.070 0.826 8.500 483 1HG GLU 63 1HG GLU 63 60.717 2.122 9.856 484 2HG GLU 63 2HG GLU 63 61.499 1.126 11.085 485 H VAL 64 H VAL 64 64.308 -0.996 7.876 486 HA VAL 64 HA VAL 64 62.795 -3.434 8.762 487 HB VAL 64 HB VAL 64 62.329 -3.798 6.387 488 1HG1 VAL 64 1HG1 VAL 64 61.726 -1.116 7.593 489 2HG1 VAL 64 2HG1 VAL 64 61.215 -1.448 5.937 490 3HG1 VAL 64 3HG1 VAL 64 60.634 -2.459 7.259 491 1HG2 VAL 64 1HG2 VAL 64 64.356 -1.622 6.118 492 2HG2 VAL 64 2HG2 VAL 64 64.103 -3.050 5.115 493 3HG2 VAL 64 3HG2 VAL 64 63.043 -1.652 4.943 494 H ASP 65 H ASP 65 65.847 -2.247 8.452 495 HA ASP 65 HA ASP 65 67.210 -4.301 6.953 496 1HB ASP 65 1HB ASP 65 68.190 -2.124 7.396 497 2HB ASP 65 2HB ASP 65 68.053 -2.371 9.138 498 H GLU 66 H GLU 66 68.011 -6.286 7.655 499 HA GLU 66 HA GLU 66 67.580 -6.993 10.541 500 1HB GLU 66 1HB GLU 66 66.517 -8.099 8.056 501 2HB GLU 66 2HB GLU 66 67.321 -9.327 9.033 502 1HG GLU 66 1HG GLU 66 65.496 -9.413 10.345 503 2HG GLU 66 2HG GLU 66 65.815 -7.748 10.833 504 H ASP 67 H ASP 67 69.975 -6.267 8.602 505 HA ASP 67 HA ASP 67 71.806 -8.285 9.769 506 1HB ASP 67 1HB ASP 67 72.719 -8.733 7.455 507 2HB ASP 67 2HB ASP 67 71.075 -9.325 7.702 508 H GLY 68 H GLY 68 71.213 -5.223 9.634 509 1HA GLY 68 1HA GLY 68 72.452 -3.226 9.471 510 2HA GLY 68 2HA GLY 68 73.762 -4.218 10.115 511 H SER 69 H SER 69 72.259 -4.891 7.014 512 HA SER 69 HA SER 69 74.790 -4.905 5.636 513 1HB SER 69 1HB SER 69 73.058 -4.932 3.645 514 2HB SER 69 2HB SER 69 73.138 -6.300 4.751 515 HG SER 69 HG SER 69 71.122 -4.560 4.296 516 H GLY 70 H GLY 70 72.586 -2.378 6.446 517 1HA GLY 70 1HA GLY 70 72.908 -0.049 6.114 518 2HA GLY 70 2HA GLY 70 74.266 -0.420 5.050 519 H THR 71 H THR 71 72.004 -2.404 3.892 520 HA THR 71 HA THR 71 70.731 -0.323 2.146 521 HB THR 71 HB THR 71 71.115 -2.034 0.297 522 HG1 THR 71 HG1 THR 71 72.933 -3.466 0.900 523 1HG2 THR 71 1HG2 THR 71 72.603 0.010 0.925 524 2HG2 THR 71 2HG2 THR 71 73.732 -1.204 1.526 525 3HG2 THR 71 3HG2 THR 71 73.258 -1.205 -0.172 526 H VAL 72 H VAL 72 68.775 -1.252 0.987 527 HA VAL 72 HA VAL 72 67.353 -3.183 2.785 528 HB VAL 72 HB VAL 72 66.500 -0.874 1.030 529 1HG1 VAL 72 1HG1 VAL 72 65.041 -3.297 1.583 530 2HG1 VAL 72 2HG1 VAL 72 64.264 -1.944 2.406 531 3HG1 VAL 72 3HG1 VAL 72 64.522 -1.885 0.662 532 1HG2 VAL 72 1HG2 VAL 72 66.708 -1.481 3.933 533 2HG2 VAL 72 2HG2 VAL 72 66.894 0.057 3.090 534 3HG2 VAL 72 3HG2 VAL 72 65.283 -0.571 3.432 535 H ASP 73 H ASP 73 66.407 -5.009 1.865 536 HA ASP 73 HA ASP 73 66.892 -5.432 -1.067 537 1HB ASP 73 1HB ASP 73 67.727 -6.825 1.247 538 2HB ASP 73 2HB ASP 73 66.491 -7.835 0.499 539 H PHE 74 H PHE 74 65.209 -6.557 -2.235 540 HA PHE 74 HA PHE 74 62.555 -5.857 -1.818 541 1HB PHE 74 1HB PHE 74 63.605 -6.980 -3.810 542 2HB PHE 74 2HB PHE 74 63.565 -8.500 -2.918 543 HD1 PHE 74 HD1 PHE 74 61.331 -5.690 -4.003 544 HD2 PHE 74 HD2 PHE 74 61.663 -9.861 -3.030 545 HE1 PHE 74 HE1 PHE 74 58.977 -6.041 -4.702 546 HE2 PHE 74 HE2 PHE 74 59.309 -10.211 -3.727 547 HZ PHE 74 HZ PHE 74 57.967 -8.302 -4.563 548 H ASP 75 H ASP 75 64.368 -8.442 -0.262 549 HA ASP 75 HA ASP 75 62.137 -9.892 0.839 550 1HB ASP 75 1HB ASP 75 65.040 -9.540 1.649 551 2HB ASP 75 2HB ASP 75 63.960 -10.723 2.389 552 H GLU 76 H GLU 76 64.300 -7.421 2.281 553 HA GLU 76 HA GLU 76 62.655 -7.201 4.692 554 1HB GLU 76 1HB GLU 76 64.859 -5.414 3.610 555 2HB GLU 76 2HB GLU 76 64.325 -5.530 5.287 556 1HG GLU 76 1HG GLU 76 65.258 -7.663 5.574 557 2HG GLU 76 2HG GLU 76 65.301 -7.981 3.839 558 H PHE 77 H PHE 77 63.294 -5.161 1.825 559 HA PHE 77 HA PHE 77 61.841 -2.871 2.373 560 1HB PHE 77 1HB PHE 77 63.090 -3.777 0.250 561 2HB PHE 77 2HB PHE 77 61.490 -4.336 -0.236 562 HD1 PHE 77 HD1 PHE 77 62.766 -1.253 1.488 563 HD2 PHE 77 HD2 PHE 77 60.518 -2.893 -1.784 564 HE1 PHE 77 HE1 PHE 77 62.197 1.039 0.730 565 HE2 PHE 77 HE2 PHE 77 59.948 -0.601 -2.541 566 HZ PHE 77 HZ PHE 77 60.788 1.365 -1.284 567 H LEU 78 H LEU 78 60.500 -5.969 1.187 568 HA LEU 78 HA LEU 78 57.788 -5.257 0.954 569 1HB LEU 78 1HB LEU 78 59.417 -7.681 1.423 570 2HB LEU 78 2HB LEU 78 57.733 -7.823 1.927 571 HG LEU 78 HG LEU 78 58.385 -6.643 -0.759 572 1HD1 LEU 78 1HD1 LEU 78 58.969 -9.356 0.096 573 2HD1 LEU 78 2HD1 LEU 78 57.740 -9.346 -1.168 574 3HD1 LEU 78 3HD1 LEU 78 59.304 -8.582 -1.453 575 1HD2 LEU 78 1HD2 LEU 78 56.056 -6.910 0.568 576 2HD2 LEU 78 2HD2 LEU 78 56.155 -7.022 -1.189 577 3HD2 LEU 78 3HD2 LEU 78 56.111 -8.491 -0.212 578 H VAL 79 H VAL 79 59.707 -5.873 3.847 579 HA VAL 79 HA VAL 79 57.436 -6.061 5.665 580 HB VAL 79 HB VAL 79 60.398 -5.520 6.053 581 1HG1 VAL 79 1HG1 VAL 79 58.240 -5.316 7.898 582 2HG1 VAL 79 2HG1 VAL 79 59.126 -6.789 8.291 583 3HG1 VAL 79 3HG1 VAL 79 59.967 -5.240 8.243 584 1HG2 VAL 79 1HG2 VAL 79 58.850 -7.887 5.414 585 2HG2 VAL 79 2HG2 VAL 79 60.600 -7.705 5.529 586 3HG2 VAL 79 3HG2 VAL 79 59.655 -8.080 6.971 587 H MET 80 H MET 80 59.305 -3.467 4.269 588 HA MET 80 HA MET 80 58.876 -1.429 6.229 589 1HB MET 80 1HB MET 80 60.346 -1.622 4.046 590 2HB MET 80 2HB MET 80 58.933 -0.905 3.270 591 1HG MET 80 1HG MET 80 59.678 0.431 5.775 592 2HG MET 80 2HG MET 80 60.935 0.512 4.542 593 1HE MET 80 1HE MET 80 60.835 1.107 2.477 594 2HE MET 80 2HE MET 80 59.344 1.128 1.538 595 3HE MET 80 3HE MET 80 60.117 2.646 2.012 596 H MET 81 H MET 81 56.818 -2.725 3.676 597 HA MET 81 HA MET 81 54.835 -0.558 3.935 598 1HB MET 81 1HB MET 81 55.371 -2.943 2.247 599 2HB MET 81 2HB MET 81 53.672 -2.506 2.437 600 1HG MET 81 1HG MET 81 55.500 -0.241 1.908 601 2HG MET 81 2HG MET 81 55.320 -1.385 0.579 602 1HE MET 81 1HE MET 81 54.782 1.553 1.175 603 2HE MET 81 2HE MET 81 53.928 1.490 -0.373 604 3HE MET 81 3HE MET 81 53.113 2.105 1.063 605 H VAL 82 H VAL 82 55.249 -3.922 4.978 606 HA VAL 82 HA VAL 82 52.630 -4.487 5.902 607 HB VAL 82 HB VAL 82 55.324 -5.251 7.079 608 1HG1 VAL 82 1HG1 VAL 82 53.305 -5.756 8.493 609 2HG1 VAL 82 2HG1 VAL 82 52.677 -6.727 7.162 610 3HG1 VAL 82 3HG1 VAL 82 54.177 -7.195 7.965 611 1HG2 VAL 82 1HG2 VAL 82 53.642 -6.504 4.886 612 2HG2 VAL 82 2HG2 VAL 82 55.221 -5.748 4.693 613 3HG2 VAL 82 3HG2 VAL 82 55.072 -7.251 5.599 614 H ARG 83 H ARG 83 55.368 -2.968 7.619 615 HA ARG 83 HA ARG 83 54.278 -2.586 10.161 616 1HB ARG 83 1HB ARG 83 55.963 -0.756 8.424 617 2HB ARG 83 2HB ARG 83 55.752 -0.540 10.162 618 1HG ARG 83 1HG ARG 83 56.589 -2.919 10.450 619 2HG ARG 83 2HG ARG 83 57.028 -2.889 8.741 620 1HD ARG 83 1HD ARG 83 59.011 -2.017 9.458 621 2HD ARG 83 2HD ARG 83 58.104 -0.512 9.701 622 HE ARG 83 HE ARG 83 57.533 -1.615 12.020 623 1HH1 ARG 83 1HH2 ARG 83 60.174 -0.078 11.652 624 2HH1 ARG 83 2HH2 ARG 83 61.286 -1.168 12.412 625 1HH2 ARG 83 1HH1 ARG 83 59.083 -3.844 12.401 626 2HH2 ARG 83 2HH1 ARG 83 60.668 -3.299 12.837 627 H CYS 84 H CYS 84 53.560 -0.811 7.183 628 HA CYS 84 HA CYS 84 51.777 1.064 8.648 629 1HB CYS 84 1HB CYS 84 52.544 0.842 5.717 630 2HB CYS 84 2HB CYS 84 51.733 2.212 6.478 631 HG CYS 84 HG CYS 84 54.479 1.486 7.686 632 H MET 85 H MET 85 50.857 -1.601 8.731 633 HA MET 85 HA MET 85 48.830 -1.871 6.574 634 1HB MET 85 1HB MET 85 50.194 -3.561 8.583 635 2HB MET 85 2HB MET 85 48.503 -3.976 8.295 636 1HG MET 85 1HG MET 85 50.442 -3.538 6.021 637 2HG MET 85 2HG MET 85 50.242 -5.116 6.782 638 1HE MET 85 1HE MET 85 49.859 -3.331 4.180 639 2HE MET 85 2HE MET 85 48.613 -4.133 3.228 640 3HE MET 85 3HE MET 85 48.246 -2.618 4.048 641 H LYS 86 H LYS 86 46.617 -1.635 6.969 642 HA LYS 86 HA LYS 86 45.603 -1.362 9.725 643 1HB LYS 86 1HB LYS 86 46.658 0.847 8.508 644 2HB LYS 86 2HB LYS 86 44.972 0.963 8.004 645 1HG LYS 86 1HG LYS 86 45.165 0.235 10.807 646 2HG LYS 86 2HG LYS 86 46.030 1.738 10.485 647 1HD LYS 86 1HD LYS 86 43.322 1.383 9.265 648 2HD LYS 86 2HD LYS 86 43.417 1.745 10.989 649 1HE LYS 86 1HE LYS 86 45.242 3.449 9.505 650 2HE LYS 86 2HE LYS 86 43.584 3.611 8.892 651 1HZ LYS 86 1HZ LYS 86 42.934 3.615 11.348 652 2HZ LYS 86 2HZ LYS 86 44.565 3.959 11.660 653 3HZ LYS 86 3HZ LYS 86 43.635 5.030 10.723 654 H ASP 87 H ASP 87 43.248 -1.373 9.761 655 HA ASP 87 HA ASP 87 42.050 -2.809 7.519 656 1HB ASP 87 1HB ASP 87 41.587 -3.198 9.949 657 2HB ASP 87 2HB ASP 87 40.826 -1.607 10.023 658 H ASP 88 H ASP 88 40.893 -1.899 5.855 659 HA ASP 88 HA ASP 88 40.067 0.975 6.133 660 1HB ASP 88 1HB ASP 88 41.506 -0.584 4.030 661 2HB ASP 88 2HB ASP 88 40.413 0.690 3.487 662 H SER 89 H SER 89 38.417 1.365 4.116 663 HA SER 89 HA SER 89 36.364 -0.817 4.302 664 1HB SER 89 1HB SER 89 36.360 2.013 4.893 665 2HB SER 89 2HB SER 89 35.175 1.664 3.638 666 HG SER 89 HG SER 89 35.425 0.467 6.200 667 1H ARG 1 1H ARG 1 57.347 5.195 0.137 668 2H ARG 1 2H ARG 1 57.784 4.272 -1.216 669 3H ARG 1 3H ARG 1 56.534 5.416 -1.337 670 HA ARG 1 HA ARG 1 55.441 3.346 -1.187 671 1HB ARG 1 1HB ARG 1 57.880 2.796 0.215 672 2HB ARG 1 2HB ARG 1 56.533 2.313 1.245 673 1HG ARG 1 1HG ARG 1 56.152 0.506 -0.037 674 2HG ARG 1 2HG ARG 1 55.986 1.522 -1.467 675 1HD ARG 1 1HD ARG 1 58.270 1.338 -2.021 676 2HD ARG 1 2HD ARG 1 58.721 0.847 -0.376 677 HE ARG 1 HE ARG 1 57.569 -0.905 -2.433 678 1HH1 ARG 1 1HH1 ARG 1 57.561 -0.268 0.936 679 2HH1 ARG 1 2HH1 ARG 1 57.679 -1.933 1.395 680 1HH2 ARG 1 1HH2 ARG 1 57.974 -3.089 -1.861 681 2HH2 ARG 1 2HH2 ARG 1 57.909 -3.530 -0.186 682 H ILE 2 H ILE 2 56.564 4.683 1.950 683 HA ILE 2 HA ILE 2 54.283 4.434 3.495 684 HB ILE 2 HB ILE 2 55.124 6.329 4.729 685 1HG1 ILE 2 1HG1 ILE 2 55.176 7.877 2.760 686 2HG1 ILE 2 2HG1 ILE 2 56.631 7.977 3.751 687 1HG2 ILE 2 1HG2 ILE 2 56.629 4.212 4.266 688 2HG2 ILE 2 2HG2 ILE 2 57.632 5.369 3.392 689 3HG2 ILE 2 3HG2 ILE 2 57.302 5.608 5.107 690 1HD1 ILE 2 1HD1 ILE 2 57.616 6.213 2.134 691 2HD1 ILE 2 2HD1 ILE 2 56.280 6.647 1.068 692 3HD1 ILE 2 3HD1 ILE 2 57.461 7.868 1.542 693 H SER 3 H SER 3 52.342 5.654 3.766 694 HA SER 3 HA SER 3 50.526 7.003 3.072 695 1HB SER 3 1HB SER 3 52.531 8.514 1.404 696 2HB SER 3 2HB SER 3 51.148 9.142 2.294 697 HG SER 3 HG SER 3 52.293 8.468 4.224 698 H ALA 4 H ALA 4 50.185 4.843 1.768 699 HA ALA 4 HA ALA 4 50.800 4.478 -0.936 700 1HB ALA 4 1HB ALA 4 48.462 3.822 0.838 701 2HB ALA 4 2HB ALA 4 48.392 3.401 -0.874 702 3HB ALA 4 3HB ALA 4 49.669 2.737 0.146 703 H ASP 5 H ASP 5 48.000 6.272 0.397 704 HA ASP 5 HA ASP 5 46.719 7.038 -1.966 705 1HB ASP 5 1HB ASP 5 45.917 7.493 0.305 706 2HB ASP 5 2HB ASP 5 47.246 8.623 0.568 707 H ALA 6 H ALA 6 49.403 8.782 -0.342 708 HA ALA 6 HA ALA 6 49.642 10.675 -2.576 709 1HB ALA 6 1HB ALA 6 50.167 10.680 0.123 710 2HB ALA 6 2HB ALA 6 51.785 10.491 -0.558 711 3HB ALA 6 3HB ALA 6 50.791 11.874 -1.016 712 H MET 7 H MET 7 51.039 7.616 -1.684 713 HA MET 7 HA MET 7 53.596 7.812 -2.922 714 1HB MET 7 1HB MET 7 52.110 5.943 -1.553 715 2HB MET 7 2HB MET 7 52.173 5.242 -3.170 716 1HG MET 7 1HG MET 7 54.498 6.022 -1.398 717 2HG MET 7 2HG MET 7 54.109 4.422 -2.025 718 1HE MET 7 1HE MET 7 54.930 3.448 -4.075 719 2HE MET 7 2HE MET 7 56.394 4.110 -4.799 720 3HE MET 7 3HE MET 7 56.308 3.846 -3.051 721 H MET 8 H MET 8 50.499 6.624 -4.288 722 HA MET 8 HA MET 8 51.640 6.340 -6.965 723 1HB MET 8 1HB MET 8 49.025 5.968 -5.570 724 2HB MET 8 2HB MET 8 48.990 6.138 -7.325 725 1HG MET 8 1HG MET 8 49.278 3.839 -7.115 726 2HG MET 8 2HG MET 8 50.954 4.377 -7.230 727 1HE MET 8 1HE MET 8 52.567 3.343 -5.934 728 2HE MET 8 2HE MET 8 52.474 4.892 -5.099 729 3HE MET 8 3HE MET 8 52.619 3.405 -4.167 730 H GLN 9 H GLN 9 50.565 9.003 -5.176 731 HA GLN 9 HA GLN 9 49.253 10.487 -7.317 732 1HB GLN 9 1HB GLN 9 49.911 10.723 -4.493 733 2HB GLN 9 2HB GLN 9 50.212 12.240 -5.343 734 1HG GLN 9 1HG GLN 9 47.666 10.783 -5.927 735 2HG GLN 9 2HG GLN 9 47.793 11.657 -4.400 736 1HE2 GLN 9 2HE2 GLN 9 48.215 14.022 -4.522 737 2HE2 GLN 9 1HE2 GLN 9 47.834 14.880 -5.937 738 H ALA 10 H ALA 10 52.491 10.544 -5.812 739 HA ALA 10 HA ALA 10 53.459 12.585 -7.697 740 1HB ALA 10 1HB ALA 10 54.405 11.085 -5.298 741 2HB ALA 10 2HB ALA 10 55.638 11.754 -6.367 742 3HB ALA 10 3HB ALA 10 54.445 12.818 -5.621 743 H LEU 11 H LEU 11 54.363 9.191 -6.947 744 HA LEU 11 HA LEU 11 55.361 8.962 -9.768 745 1HB LEU 11 1HB LEU 11 56.898 7.199 -8.620 746 2HB LEU 11 2HB LEU 11 57.258 8.905 -8.363 747 HG LEU 11 HG LEU 11 55.410 7.490 -6.465 748 1HD1 LEU 11 1HD1 LEU 11 58.029 6.595 -6.976 749 2HD1 LEU 11 2HD1 LEU 11 58.147 7.569 -5.510 750 3HD1 LEU 11 3HD1 LEU 11 57.033 6.204 -5.575 751 1HD2 LEU 11 1HD2 LEU 11 56.729 10.048 -6.699 752 2HD2 LEU 11 2HD2 LEU 11 55.534 9.529 -5.509 753 3HD2 LEU 11 3HD2 LEU 11 57.250 9.247 -5.216 754 H LEU 12 H LEU 12 55.661 6.344 -10.095 755 HA LEU 12 HA LEU 12 54.475 4.342 -10.511 756 1HB LEU 12 1HB LEU 12 53.506 5.221 -7.778 757 2HB LEU 12 2HB LEU 12 53.071 3.663 -8.482 758 HG LEU 12 HG LEU 12 55.703 3.508 -8.871 759 1HD1 LEU 12 1HD1 LEU 12 55.811 5.896 -7.784 760 2HD1 LEU 12 2HD1 LEU 12 55.657 5.011 -6.267 761 3HD1 LEU 12 3HD1 LEU 12 57.019 4.691 -7.339 762 1HD2 LEU 12 1HD2 LEU 12 54.212 2.003 -7.496 763 2HD2 LEU 12 2HD2 LEU 12 55.835 2.200 -6.836 764 3HD2 LEU 12 3HD2 LEU 12 54.484 3.081 -6.127 765 H GLY 13 H GLY 13 53.375 6.732 -11.687 766 1HA GLY 13 1HA GLY 13 51.384 6.933 -13.029 767 2HA GLY 13 2HA GLY 13 50.543 5.878 -11.890 768 H ALA 14 H ALA 14 49.156 8.071 -12.500 769 HA ALA 14 HA ALA 14 49.519 9.850 -10.111 770 1HB ALA 14 1HB ALA 14 49.566 10.408 -12.966 771 2HB ALA 14 2HB ALA 14 48.313 11.347 -12.155 772 3HB ALA 14 3HB ALA 14 49.989 11.467 -11.620 773 H ARG 15 H ARG 15 47.453 7.785 -11.865 774 HA ARG 15 HA ARG 15 44.929 9.102 -11.168 775 1HB ARG 15 1HB ARG 15 45.907 7.025 -12.868 776 2HB ARG 15 2HB ARG 15 44.657 6.328 -11.837 777 1HG ARG 15 1HG ARG 15 43.758 7.325 -13.959 778 2HG ARG 15 2HG ARG 15 43.074 8.044 -12.501 779 1HD ARG 15 1HD ARG 15 44.176 10.060 -12.816 780 2HD ARG 15 2HD ARG 15 45.538 9.300 -13.662 781 HE ARG 15 HE ARG 15 43.049 8.982 -15.124 782 1HH1 ARG 15 1HH1 ARG 15 46.139 10.291 -15.141 783 2HH1 ARG 15 2HH1 ARG 15 45.790 11.552 -16.275 784 1HH2 ARG 15 1HH2 ARG 15 42.373 10.971 -16.277 785 2HH2 ARG 15 2HH2 ARG 15 43.660 11.937 -16.918 786 H ALA 16 H ALA 16 43.576 8.536 -9.439 787 HA ALA 16 HA ALA 16 44.816 6.871 -7.306 788 1HB ALA 16 1HB ALA 16 42.453 8.776 -7.381 789 2HB ALA 16 2HB ALA 16 43.056 7.984 -5.925 790 3HB ALA 16 3HB ALA 16 44.070 9.147 -6.781 791 H LYS 17 H LYS 17 44.269 4.852 -8.577 792 HA LYS 17 HA LYS 17 42.921 2.915 -8.755 793 1HB LYS 17 1HB LYS 17 42.396 3.865 -6.375 794 2HB LYS 17 2HB LYS 17 40.874 4.384 -7.100 795 1HG LYS 17 1HG LYS 17 40.075 2.302 -6.801 796 2HG LYS 17 2HG LYS 17 41.282 1.716 -7.947 797 1HD LYS 17 1HD LYS 17 42.217 2.260 -5.172 798 2HD LYS 17 2HD LYS 17 41.187 0.847 -5.404 799 1HE LYS 17 1HE LYS 17 42.843 0.447 -7.475 800 2HE LYS 17 2HE LYS 17 43.945 1.362 -6.426 801 1HZ LYS 17 1HZ LYS 17 42.265 -0.720 -5.223 802 2HZ LYS 17 2HZ LYS 17 43.636 -1.206 -6.100 803 3HZ LYS 17 3HZ LYS 17 43.802 -0.176 -4.760 Start of MODEL 4 1 1H MET 1 1H MET 1 59.743 -6.602 20.706 2 2H MET 1 2H MET 1 60.595 -5.245 20.142 3 3H MET 1 3H MET 1 59.216 -5.791 19.313 4 HA MET 1 HA MET 1 60.977 -6.586 18.013 5 1HB MET 1 1HB MET 1 62.897 -7.730 19.277 6 2HB MET 1 2HB MET 1 62.751 -5.987 19.503 7 1HG MET 1 1HG MET 1 62.084 -6.188 21.686 8 2HG MET 1 2HG MET 1 61.209 -7.689 21.389 9 1HE MET 1 1HE MET 1 64.433 -6.362 20.431 10 2HE MET 1 2HE MET 1 65.179 -6.364 22.027 11 3HE MET 1 3HE MET 1 65.655 -7.575 20.839 12 H ASP 2 H ASP 2 58.956 -7.920 17.673 13 HA ASP 2 HA ASP 2 59.437 -10.733 18.555 14 1HB ASP 2 1HB ASP 2 57.489 -8.988 19.592 15 2HB ASP 2 2HB ASP 2 56.614 -10.044 18.481 16 H ASP 3 H ASP 3 59.467 -11.981 16.729 17 HA ASP 3 HA ASP 3 59.034 -11.224 14.106 18 1HB ASP 3 1HB ASP 3 58.262 -13.886 15.344 19 2HB ASP 3 2HB ASP 3 58.767 -13.612 13.677 20 H ILE 4 H ILE 4 57.234 -10.064 13.445 21 HA ILE 4 HA ILE 4 54.571 -11.361 13.828 22 HB ILE 4 HB ILE 4 54.897 -9.687 15.599 23 1HG1 ILE 4 1HG1 ILE 4 53.063 -8.687 13.395 24 2HG1 ILE 4 2HG1 ILE 4 52.647 -9.917 14.590 25 1HG2 ILE 4 1HG2 ILE 4 55.414 -7.797 13.281 26 2HG2 ILE 4 2HG2 ILE 4 55.229 -7.303 14.964 27 3HG2 ILE 4 3HG2 ILE 4 56.595 -8.312 14.487 28 1HD1 ILE 4 1HD1 ILE 4 53.351 -8.081 16.326 29 2HD1 ILE 4 2HD1 ILE 4 53.081 -6.969 14.985 30 3HD1 ILE 4 3HD1 ILE 4 51.763 -7.986 15.567 31 H TYR 5 H TYR 5 56.543 -8.939 12.127 32 HA TYR 5 HA TYR 5 54.524 -8.592 10.009 33 1HB TYR 5 1HB TYR 5 57.341 -7.584 10.495 34 2HB TYR 5 2HB TYR 5 56.362 -7.098 9.110 35 HD1 TYR 5 HD1 TYR 5 53.824 -6.432 9.825 36 HD2 TYR 5 HD2 TYR 5 57.301 -6.162 12.333 37 HE1 TYR 5 HE1 TYR 5 52.678 -4.740 11.231 38 HE2 TYR 5 HE2 TYR 5 56.155 -4.470 13.739 39 HH TYR 5 HH TYR 5 52.768 -3.588 13.158 40 H LYS 6 H LYS 6 57.787 -10.033 10.322 41 HA LYS 6 HA LYS 6 58.241 -10.821 7.666 42 1HB LYS 6 1HB LYS 6 58.850 -12.096 10.344 43 2HB LYS 6 2HB LYS 6 59.500 -12.732 8.832 44 1HG LYS 6 1HG LYS 6 60.698 -10.722 8.381 45 2HG LYS 6 2HG LYS 6 59.818 -9.833 9.624 46 1HD LYS 6 1HD LYS 6 60.974 -10.873 11.373 47 2HD LYS 6 2HD LYS 6 61.438 -12.251 10.375 48 1HE LYS 6 1HE LYS 6 62.961 -10.794 9.067 49 2HE LYS 6 2HE LYS 6 62.517 -9.421 10.101 50 1HZ LYS 6 1HZ LYS 6 63.413 -11.970 11.287 51 2HZ LYS 6 2HZ LYS 6 64.552 -10.825 10.760 52 3HZ LYS 6 3HZ LYS 6 63.434 -10.412 11.965 53 H ALA 7 H ALA 7 55.863 -12.011 9.908 54 HA ALA 7 HA ALA 7 55.421 -14.609 8.717 55 1HB ALA 7 1HB ALA 7 54.756 -13.863 11.011 56 2HB ALA 7 2HB ALA 7 53.560 -12.791 10.283 57 3HB ALA 7 3HB ALA 7 53.402 -14.538 10.105 58 H ALA 8 H ALA 8 53.593 -11.530 8.463 59 HA ALA 8 HA ALA 8 51.724 -12.358 6.500 60 1HB ALA 8 1HB ALA 8 53.035 -9.687 7.092 61 2HB ALA 8 2HB ALA 8 51.615 -9.874 6.063 62 3HB ALA 8 3HB ALA 8 51.528 -10.298 7.773 63 H VAL 9 H VAL 9 54.894 -10.749 6.059 64 HA VAL 9 HA VAL 9 54.957 -10.495 3.276 65 HB VAL 9 HB VAL 9 57.215 -11.433 5.074 66 1HG1 VAL 9 1HG1 VAL 9 57.474 -11.238 2.499 67 2HG1 VAL 9 2HG1 VAL 9 57.369 -9.497 2.766 68 3HG1 VAL 9 3HG1 VAL 9 58.669 -10.427 3.512 69 1HG2 VAL 9 1HG2 VAL 9 55.598 -9.001 5.103 70 2HG2 VAL 9 2HG2 VAL 9 56.792 -9.562 6.274 71 3HG2 VAL 9 3HG2 VAL 9 57.308 -8.652 4.853 72 H GLU 10 H GLU 10 56.245 -13.308 5.100 73 HA GLU 10 HA GLU 10 56.788 -14.980 2.887 74 1HB GLU 10 1HB GLU 10 55.956 -15.479 5.753 75 2HB GLU 10 2HB GLU 10 56.425 -16.792 4.673 76 1HG GLU 10 1HG GLU 10 58.224 -14.406 4.912 77 2HG GLU 10 2HG GLU 10 58.236 -15.616 6.195 78 H GLN 11 H GLN 11 53.733 -14.134 4.366 79 HA GLN 11 HA GLN 11 52.337 -16.242 2.762 80 1HB GLN 11 1HB GLN 11 51.551 -14.564 5.163 81 2HB GLN 11 2HB GLN 11 50.467 -15.701 4.361 82 1HG GLN 11 1HG GLN 11 52.212 -17.496 4.761 83 2HG GLN 11 2HG GLN 11 53.066 -16.334 5.778 84 1HE2 GLN 11 2HE2 GLN 11 52.465 -18.219 7.411 85 2HE2 GLN 11 1HE2 GLN 11 50.990 -18.033 8.232 86 H LEU 12 H LEU 12 53.362 -13.514 1.810 87 HA LEU 12 HA LEU 12 51.115 -11.759 1.463 88 1HB LEU 12 1HB LEU 12 53.874 -12.118 0.465 89 2HB LEU 12 2HB LEU 12 52.803 -11.260 -0.643 90 HG LEU 12 HG LEU 12 53.248 -10.550 2.272 91 1HD1 LEU 12 1HD1 LEU 12 54.591 -9.796 -0.222 92 2HD1 LEU 12 2HD1 LEU 12 53.984 -8.404 0.675 93 3HD1 LEU 12 3HD1 LEU 12 55.097 -9.534 1.447 94 1HD2 LEU 12 1HD2 LEU 12 51.479 -9.443 0.090 95 2HD2 LEU 12 2HD2 LEU 12 51.039 -9.888 1.740 96 3HD2 LEU 12 3HD2 LEU 12 51.996 -8.437 1.443 97 H THR 13 H THR 13 50.327 -11.259 -0.894 98 HA THR 13 HA THR 13 49.522 -13.857 -2.146 99 HB THR 13 HB THR 13 47.786 -12.108 -3.150 100 HG1 THR 13 HG1 THR 13 47.513 -10.602 -1.211 101 1HG2 THR 13 1HG2 THR 13 47.774 -13.053 -0.269 102 2HG2 THR 13 2HG2 THR 13 46.356 -12.490 -1.154 103 3HG2 THR 13 3HG2 THR 13 47.187 -13.960 -1.665 104 H GLU 14 H GLU 14 49.865 -14.160 -4.373 105 HA GLU 14 HA GLU 14 52.030 -12.961 -5.691 106 1HB GLU 14 1HB GLU 14 49.743 -14.680 -6.295 107 2HB GLU 14 2HB GLU 14 50.235 -13.716 -7.689 108 1HG GLU 14 1HG GLU 14 51.539 -15.719 -7.785 109 2HG GLU 14 2HG GLU 14 52.625 -14.459 -7.196 110 H GLU 15 H GLU 15 48.732 -11.811 -5.368 111 HA GLU 15 HA GLU 15 48.891 -9.842 -7.517 112 1HB GLU 15 1HB GLU 15 47.051 -10.419 -5.188 113 2HB GLU 15 2HB GLU 15 46.785 -9.038 -6.254 114 1HG GLU 15 1HG GLU 15 47.305 -11.545 -7.696 115 2HG GLU 15 2HG GLU 15 45.842 -11.590 -6.711 116 H GLN 16 H GLN 16 49.238 -9.778 -3.967 117 HA GLN 16 HA GLN 16 49.527 -6.956 -3.654 118 1HB GLN 16 1HB GLN 16 49.127 -8.527 -1.821 119 2HB GLN 16 2HB GLN 16 50.676 -9.312 -2.124 120 1HG GLN 16 1HG GLN 16 51.755 -7.789 -0.870 121 2HG GLN 16 2HG GLN 16 51.065 -6.468 -1.814 122 1HE2 GLN 16 2HE2 GLN 16 49.160 -5.403 -0.983 123 2HE2 GLN 16 1HE2 GLN 16 48.553 -5.717 0.571 124 H LYS 17 H LYS 17 52.044 -9.494 -3.958 125 HA LYS 17 HA LYS 17 54.370 -7.988 -3.865 126 1HB LYS 17 1HB LYS 17 53.567 -10.529 -4.661 127 2HB LYS 17 2HB LYS 17 54.314 -9.865 -6.116 128 1HG LYS 17 1HG LYS 17 56.366 -10.125 -5.234 129 2HG LYS 17 2HG LYS 17 55.910 -9.179 -3.816 130 1HD LYS 17 1HD LYS 17 55.668 -11.031 -2.545 131 2HD LYS 17 2HD LYS 17 54.715 -11.844 -3.787 132 1HE LYS 17 1HE LYS 17 56.586 -12.821 -4.776 133 2HE LYS 17 2HE LYS 17 57.680 -11.547 -4.200 134 1HZ LYS 17 1HZ LYS 17 56.221 -13.209 -2.257 135 2HZ LYS 17 2HZ LYS 17 57.629 -13.821 -2.977 136 3HZ LYS 17 3HZ LYS 17 57.696 -12.384 -2.072 137 H ASN 18 H ASN 18 52.271 -8.432 -6.731 138 HA ASN 18 HA ASN 18 53.786 -6.911 -8.586 139 1HB ASN 18 1HB ASN 18 50.881 -7.608 -8.199 140 2HB ASN 18 2HB ASN 18 51.365 -6.565 -9.536 141 1HD2 ASN 18 2HD2 ASN 18 51.060 -9.832 -8.575 142 2HD2 ASN 18 1HD2 ASN 18 51.957 -10.532 -9.836 143 H GLU 19 H GLU 19 51.542 -5.902 -6.051 144 HA GLU 19 HA GLU 19 51.312 -3.140 -6.922 145 1HB GLU 19 1HB GLU 19 50.337 -4.923 -4.871 146 2HB GLU 19 2HB GLU 19 50.859 -3.408 -4.134 147 1HG GLU 19 1HG GLU 19 49.525 -2.542 -6.389 148 2HG GLU 19 2HG GLU 19 48.566 -3.935 -5.887 149 H PHE 20 H PHE 20 53.333 -4.852 -4.534 150 HA PHE 20 HA PHE 20 54.686 -2.430 -3.633 151 1HB PHE 20 1HB PHE 20 55.010 -5.411 -3.289 152 2HB PHE 20 2HB PHE 20 56.189 -4.287 -2.610 153 HD1 PHE 20 HD1 PHE 20 54.844 -2.085 -1.539 154 HD2 PHE 20 HD2 PHE 20 53.445 -6.142 -1.733 155 HE1 PHE 20 HE1 PHE 20 53.331 -1.656 0.377 156 HE2 PHE 20 HE2 PHE 20 51.932 -5.712 0.185 157 HZ PHE 20 HZ PHE 20 51.875 -3.469 1.240 158 H LYS 21 H LYS 21 55.494 -5.123 -5.838 159 HA LYS 21 HA LYS 21 58.167 -4.630 -6.408 160 1HB LYS 21 1HB LYS 21 57.739 -5.820 -8.407 161 2HB LYS 21 2HB LYS 21 56.435 -6.334 -7.336 162 1HG LYS 21 1HG LYS 21 55.181 -5.787 -9.192 163 2HG LYS 21 2HG LYS 21 55.227 -4.204 -8.414 164 1HD LYS 21 1HD LYS 21 55.885 -3.716 -10.617 165 2HD LYS 21 2HD LYS 21 57.426 -3.861 -9.770 166 1HE LYS 21 1HE LYS 21 56.599 -6.477 -10.661 167 2HE LYS 21 2HE LYS 21 56.582 -5.348 -12.032 168 1HZ LYS 21 1HZ LYS 21 58.776 -4.520 -11.165 169 2HZ LYS 21 2HZ LYS 21 58.806 -5.876 -10.140 170 3HZ LYS 21 3HZ LYS 21 58.804 -6.082 -11.827 171 H ALA 22 H ALA 22 55.389 -2.675 -7.331 172 HA ALA 22 HA ALA 22 56.587 -1.101 -9.389 173 1HB ALA 22 1HB ALA 22 54.144 -1.335 -8.350 174 2HB ALA 22 2HB ALA 22 54.663 0.063 -7.408 175 3HB ALA 22 3HB ALA 22 54.637 0.147 -9.169 176 H ALA 23 H ALA 23 55.985 -0.016 -6.023 177 HA ALA 23 HA ALA 23 57.691 2.224 -6.051 178 1HB ALA 23 1HB ALA 23 56.739 0.298 -3.930 179 2HB ALA 23 2HB ALA 23 57.759 1.675 -3.510 180 3HB ALA 23 3HB ALA 23 56.180 1.939 -4.252 181 H PHE 24 H PHE 24 58.458 -1.188 -5.439 182 HA PHE 24 HA PHE 24 61.119 -0.881 -4.470 183 1HB PHE 24 1HB PHE 24 59.671 -2.947 -4.523 184 2HB PHE 24 2HB PHE 24 59.986 -3.061 -6.255 185 HD1 PHE 24 HD1 PHE 24 62.226 -2.108 -3.408 186 HD2 PHE 24 HD2 PHE 24 61.421 -4.889 -6.581 187 HE1 PHE 24 HE1 PHE 24 64.372 -3.260 -2.942 188 HE2 PHE 24 HE2 PHE 24 63.567 -6.042 -6.115 189 HZ PHE 24 HZ PHE 24 65.042 -5.227 -4.296 190 H ASP 25 H ASP 25 59.902 -1.280 -7.813 191 HA ASP 25 HA ASP 25 62.407 -1.251 -9.155 192 1HB ASP 25 1HB ASP 25 59.552 -0.900 -9.722 193 2HB ASP 25 2HB ASP 25 60.579 0.020 -10.823 194 H ILE 26 H ILE 26 60.209 1.454 -8.341 195 HA ILE 26 HA ILE 26 61.949 3.508 -9.414 196 HB ILE 26 HB ILE 26 59.617 3.459 -7.477 197 1HG1 ILE 26 1HG1 ILE 26 58.725 4.741 -9.654 198 2HG1 ILE 26 2HG1 ILE 26 59.994 3.785 -10.423 199 1HG2 ILE 26 1HG2 ILE 26 61.228 5.762 -8.580 200 2HG2 ILE 26 2HG2 ILE 26 59.546 5.968 -8.089 201 3HG2 ILE 26 3HG2 ILE 26 60.753 5.458 -6.908 202 1HD1 ILE 26 1HD1 ILE 26 58.019 2.509 -8.537 203 2HD1 ILE 26 2HD1 ILE 26 57.635 2.729 -10.244 204 3HD1 ILE 26 3HD1 ILE 26 59.016 1.740 -9.772 205 H PHE 27 H PHE 27 61.490 2.036 -6.222 206 HA PHE 27 HA PHE 27 62.962 3.832 -4.607 207 1HB PHE 27 1HB PHE 27 61.951 1.108 -4.566 208 2HB PHE 27 2HB PHE 27 63.505 1.207 -3.736 209 HD1 PHE 27 HD1 PHE 27 60.724 3.695 -4.079 210 HD2 PHE 27 HD2 PHE 27 63.077 1.262 -1.433 211 HE1 PHE 27 HE1 PHE 27 59.617 4.750 -2.125 212 HE2 PHE 27 HE2 PHE 27 61.971 2.317 0.520 213 HZ PHE 27 HZ PHE 27 60.241 4.061 0.174 214 H VAL 28 H VAL 28 64.067 1.322 -6.839 215 HA VAL 28 HA VAL 28 66.910 1.989 -6.156 216 HB VAL 28 HB VAL 28 67.379 -0.249 -7.044 217 1HG1 VAL 28 1HG1 VAL 28 65.984 0.300 -4.728 218 2HG1 VAL 28 2HG1 VAL 28 64.995 -0.953 -5.476 219 3HG1 VAL 28 3HG1 VAL 28 66.697 -1.261 -5.133 220 1HG2 VAL 28 1HG2 VAL 28 65.015 0.185 -8.492 221 2HG2 VAL 28 2HG2 VAL 28 65.986 -1.288 -8.487 222 3HG2 VAL 28 3HG2 VAL 28 64.625 -1.125 -7.378 223 H LEU 29 H LEU 29 64.730 3.116 -8.198 224 HA LEU 29 HA LEU 29 65.401 2.701 -10.854 225 1HB LEU 29 1HB LEU 29 63.906 4.470 -9.423 226 2HB LEU 29 2HB LEU 29 65.190 5.534 -9.997 227 HG LEU 29 HG LEU 29 63.391 3.779 -11.690 228 1HD1 LEU 29 1HD1 LEU 29 63.784 6.785 -11.538 229 2HD1 LEU 29 2HD1 LEU 29 62.713 5.951 -12.665 230 3HD1 LEU 29 3HD1 LEU 29 62.385 5.897 -10.933 231 1HD2 LEU 29 1HD2 LEU 29 65.923 5.291 -12.310 232 2HD2 LEU 29 2HD2 LEU 29 65.464 3.660 -12.797 233 3HD2 LEU 29 3HD2 LEU 29 64.697 5.055 -13.556 234 H GLY 30 H GLY 30 67.370 4.220 -8.386 235 1HA GLY 30 1HA GLY 30 69.388 4.950 -10.468 236 2HA GLY 30 2HA GLY 30 69.291 5.701 -8.874 237 H ALA 31 H ALA 31 68.900 2.245 -9.282 238 HA ALA 31 HA ALA 31 71.551 1.862 -7.927 239 1HB ALA 31 1HB ALA 31 69.461 1.395 -6.614 240 2HB ALA 31 2HB ALA 31 69.035 0.168 -7.806 241 3HB ALA 31 3HB ALA 31 70.479 -0.031 -6.815 242 H GLU 32 H GLU 32 72.774 -0.015 -8.592 243 HA GLU 32 HA GLU 32 72.010 -1.056 -11.301 244 1HB GLU 32 1HB GLU 32 74.751 -0.803 -10.024 245 2HB GLU 32 2HB GLU 32 74.400 -1.153 -11.716 246 1HG GLU 32 1HG GLU 32 73.001 1.229 -11.077 247 2HG GLU 32 2HG GLU 32 74.631 1.410 -10.427 248 H ASP 33 H ASP 33 71.793 -2.005 -8.228 249 HA ASP 33 HA ASP 33 72.670 -4.816 -8.820 250 1HB ASP 33 1HB ASP 33 73.591 -3.014 -6.878 251 2HB ASP 33 2HB ASP 33 72.516 -4.103 -6.000 252 H GLY 34 H GLY 34 70.272 -2.679 -7.355 253 1HA GLY 34 1HA GLY 34 67.895 -3.361 -7.520 254 2HA GLY 34 2HA GLY 34 68.415 -5.016 -7.196 255 H CYS 35 H CYS 35 69.637 -2.178 -5.500 256 HA CYS 35 HA CYS 35 68.172 -3.082 -3.042 257 1HB CYS 35 1HB CYS 35 71.064 -2.202 -3.348 258 2HB CYS 35 2HB CYS 35 70.289 -2.636 -1.824 259 HG CYS 35 HG CYS 35 71.562 -4.734 -2.912 260 H ILE 36 H ILE 36 68.702 -1.183 -1.287 261 HA ILE 36 HA ILE 36 68.251 1.442 -2.670 262 HB ILE 36 HB ILE 36 66.898 0.402 -0.156 263 1HG1 ILE 36 1HG1 ILE 36 65.514 0.777 -2.798 264 2HG1 ILE 36 2HG1 ILE 36 66.410 -0.713 -2.500 265 1HG2 ILE 36 1HG2 ILE 36 67.189 2.998 -1.182 266 2HG2 ILE 36 2HG2 ILE 36 65.564 2.503 -1.658 267 3HG2 ILE 36 3HG2 ILE 36 66.032 2.476 0.042 268 1HD1 ILE 36 1HD1 ILE 36 64.542 0.234 -0.368 269 2HD1 ILE 36 2HD1 ILE 36 63.839 -0.481 -1.819 270 3HD1 ILE 36 3HD1 ILE 36 64.970 -1.412 -0.836 271 H SER 37 H SER 37 69.138 3.253 -1.573 272 HA SER 37 HA SER 37 70.583 2.863 0.987 273 1HB SER 37 1HB SER 37 71.878 2.185 -1.223 274 2HB SER 37 2HB SER 37 72.089 3.927 -1.360 275 HG SER 37 HG SER 37 73.744 2.724 -0.142 276 H THR 38 H THR 38 68.386 4.499 0.234 277 HA THR 38 HA THR 38 67.643 6.708 0.648 278 HB THR 38 HB THR 38 69.049 8.092 1.880 279 HG1 THR 38 HG1 THR 38 70.574 8.635 0.457 280 1HG2 THR 38 1HG2 THR 38 69.257 5.408 2.440 281 2HG2 THR 38 2HG2 THR 38 70.948 5.902 2.354 282 3HG2 THR 38 3HG2 THR 38 69.850 6.707 3.476 283 H LYS 39 H LYS 39 70.809 6.836 -1.076 284 HA LYS 39 HA LYS 39 70.223 8.995 -2.789 285 1HB LYS 39 1HB LYS 39 71.873 6.478 -2.994 286 2HB LYS 39 2HB LYS 39 71.802 7.599 -4.355 287 1HG LYS 39 1HG LYS 39 72.385 8.640 -1.596 288 2HG LYS 39 2HG LYS 39 73.678 7.905 -2.547 289 1HD LYS 39 1HD LYS 39 73.266 9.480 -4.377 290 2HD LYS 39 2HD LYS 39 71.918 10.189 -3.488 291 1HE LYS 39 1HE LYS 39 73.304 11.295 -1.995 292 2HE LYS 39 2HE LYS 39 74.585 10.074 -2.123 293 1HZ LYS 39 1HZ LYS 39 74.838 10.793 -4.490 294 2HZ LYS 39 2HZ LYS 39 73.817 12.107 -4.145 295 3HZ LYS 39 3HZ LYS 39 75.311 11.955 -3.349 296 H GLU 40 H GLU 40 69.182 5.641 -2.904 297 HA GLU 40 HA GLU 40 67.865 5.979 -5.542 298 1HB GLU 40 1HB GLU 40 67.935 3.641 -3.602 299 2HB GLU 40 2HB GLU 40 67.477 3.578 -5.303 300 1HG GLU 40 1HG GLU 40 69.665 2.895 -5.484 301 2HG GLU 40 2HG GLU 40 69.902 4.639 -5.619 302 H LEU 41 H LEU 41 67.071 5.417 -2.122 303 HA LEU 41 HA LEU 41 64.200 5.327 -2.539 304 1HB LEU 41 1HB LEU 41 64.497 4.378 -0.507 305 2HB LEU 41 2HB LEU 41 66.173 4.909 -0.487 306 HG LEU 41 HG LEU 41 65.426 7.120 0.396 307 1HD1 LEU 41 1HD1 LEU 41 62.898 6.167 -0.446 308 2HD1 LEU 41 2HD1 LEU 41 62.827 6.273 1.314 309 3HD1 LEU 41 3HD1 LEU 41 63.253 7.696 0.362 310 1HD2 LEU 41 1HD2 LEU 41 64.807 4.558 1.851 311 2HD2 LEU 41 2HD2 LEU 41 66.153 5.671 2.096 312 3HD2 LEU 41 3HD2 LEU 41 64.534 6.112 2.638 313 H GLY 42 H GLY 42 66.440 7.811 -1.256 314 1HA GLY 42 1HA GLY 42 64.663 9.831 -0.584 315 2HA GLY 42 2HA GLY 42 66.234 10.159 -1.319 316 H LYS 43 H LYS 43 65.843 9.048 -3.861 317 HA LYS 43 HA LYS 43 64.725 11.094 -5.371 318 1HB LYS 43 1HB LYS 43 65.251 8.183 -5.714 319 2HB LYS 43 2HB LYS 43 64.244 8.950 -6.941 320 1HG LYS 43 1HG LYS 43 65.938 10.477 -7.550 321 2HG LYS 43 2HG LYS 43 66.843 10.200 -6.062 322 1HD LYS 43 1HD LYS 43 67.453 7.977 -6.775 323 2HD LYS 43 2HD LYS 43 66.411 8.100 -8.192 324 1HE LYS 43 1HE LYS 43 68.015 9.192 -9.369 325 2HE LYS 43 2HE LYS 43 68.301 10.328 -8.035 326 1HZ LYS 43 1HZ LYS 43 69.155 7.536 -7.732 327 2HZ LYS 43 2HZ LYS 43 70.111 8.573 -8.673 328 3HZ LYS 43 3HZ LYS 43 69.810 8.945 -7.042 329 H VAL 44 H VAL 44 63.044 8.444 -3.756 330 HA VAL 44 HA VAL 44 60.482 8.927 -5.065 331 HB VAL 44 HB VAL 44 61.435 7.374 -2.644 332 1HG1 VAL 44 1HG1 VAL 44 58.823 8.275 -3.063 333 2HG1 VAL 44 2HG1 VAL 44 58.818 6.628 -3.689 334 3HG1 VAL 44 3HG1 VAL 44 59.309 6.937 -2.023 335 1HG2 VAL 44 1HG2 VAL 44 61.226 6.895 -5.504 336 2HG2 VAL 44 2HG2 VAL 44 62.009 5.913 -4.267 337 3HG2 VAL 44 3HG2 VAL 44 60.287 5.711 -4.594 338 H MET 45 H MET 45 62.093 10.012 -2.108 339 HA MET 45 HA MET 45 59.886 11.080 -0.687 340 1HB MET 45 1HB MET 45 62.747 12.059 -0.975 341 2HB MET 45 2HB MET 45 61.646 12.541 0.315 342 1HG MET 45 1HG MET 45 62.585 9.715 -0.261 343 2HG MET 45 2HG MET 45 63.097 10.723 1.093 344 1HE MET 45 1HE MET 45 61.124 8.075 -0.107 345 2HE MET 45 2HE MET 45 59.556 8.037 0.697 346 3HE MET 45 3HE MET 45 59.826 9.151 -0.641 347 H ARG 46 H ARG 46 62.152 12.961 -2.742 348 HA ARG 46 HA ARG 46 60.697 15.354 -2.881 349 1HB ARG 46 1HB ARG 46 62.040 15.769 -4.857 350 2HB ARG 46 2HB ARG 46 63.013 14.799 -3.749 351 1HG ARG 46 1HG ARG 46 62.119 12.749 -5.007 352 2HG ARG 46 2HG ARG 46 61.557 13.886 -6.234 353 1HD ARG 46 1HD ARG 46 64.200 14.675 -5.729 354 2HD ARG 46 2HD ARG 46 64.256 12.901 -5.766 355 HE ARG 46 HE ARG 46 63.883 13.093 -8.083 356 1HH1 ARG 46 1HH1 ARG 46 62.944 15.983 -6.519 357 2HH1 ARG 46 2HH1 ARG 46 62.004 16.572 -7.849 358 1HH2 ARG 46 1HH2 ARG 46 62.423 13.705 -9.756 359 2HH2 ARG 46 2HH2 ARG 46 61.712 15.283 -9.683 360 H MET 47 H MET 47 60.161 12.320 -4.587 361 HA MET 47 HA MET 47 58.210 13.431 -6.468 362 1HB MET 47 1HB MET 47 59.544 10.881 -5.820 363 2HB MET 47 2HB MET 47 57.894 10.694 -6.415 364 1HG MET 47 1HG MET 47 58.417 11.466 -8.503 365 2HG MET 47 2HG MET 47 59.589 12.632 -7.890 366 1HE MET 47 1HE MET 47 58.804 9.168 -7.278 367 2HE MET 47 2HE MET 47 59.415 8.457 -8.780 368 3HE MET 47 3HE MET 47 60.326 8.282 -7.282 369 H LEU 48 H LEU 48 58.167 11.986 -3.271 370 HA LEU 48 HA LEU 48 55.309 11.386 -3.258 371 1HB LEU 48 1HB LEU 48 57.579 11.484 -1.277 372 2HB LEU 48 2HB LEU 48 55.924 11.238 -0.720 373 HG LEU 48 HG LEU 48 57.264 9.547 -2.847 374 1HD1 LEU 48 1HD1 LEU 48 58.035 9.528 -0.274 375 2HD1 LEU 48 2HD1 LEU 48 56.621 8.483 -0.137 376 3HD1 LEU 48 3HD1 LEU 48 57.934 8.050 -1.233 377 1HD2 LEU 48 1HD2 LEU 48 54.567 9.904 -2.163 378 2HD2 LEU 48 2HD2 LEU 48 55.239 8.575 -3.109 379 3HD2 LEU 48 3HD2 LEU 48 55.035 8.400 -1.367 380 H GLY 49 H GLY 49 57.257 14.199 -2.709 381 1HA GLY 49 1HA GLY 49 56.042 16.375 -2.705 382 2HA GLY 49 2HA GLY 49 54.847 15.620 -1.648 383 H GLN 50 H GLN 50 58.034 14.646 -0.965 384 HA GLN 50 HA GLN 50 58.516 16.817 1.004 385 1HB GLN 50 1HB GLN 50 57.123 14.470 1.626 386 2HB GLN 50 2HB GLN 50 58.760 14.171 2.210 387 1HG GLN 50 1HG GLN 50 58.680 15.905 3.743 388 2HG GLN 50 2HG GLN 50 57.509 16.826 2.796 389 1HE2 GLN 50 2HE2 GLN 50 55.501 16.870 3.799 390 2HE2 GLN 50 1HE2 GLN 50 54.836 15.605 4.715 391 H ASN 51 H ASN 51 60.637 16.011 2.326 392 HA ASN 51 HA ASN 51 62.476 14.307 0.839 393 1HB ASN 51 1HB ASN 51 62.249 16.393 -0.560 394 2HB ASN 51 2HB ASN 51 62.912 17.309 0.794 395 1HD2 ASN 51 2HD2 ASN 51 63.906 16.163 -2.075 396 2HD2 ASN 51 1HD2 ASN 51 65.503 15.720 -1.710 397 HA PRO 52 HA PRO 52 63.629 14.905 5.200 398 1HB PRO 52 1HB PRO 52 64.483 12.335 5.573 399 2HB PRO 52 2HB PRO 52 62.779 12.813 5.694 400 1HG PRO 52 1HG PRO 52 64.210 11.448 3.479 401 2HG PRO 52 2HG PRO 52 62.552 11.231 4.058 402 1HD PRO 52 1HD PRO 52 63.248 12.659 1.810 403 2HD PRO 52 2HD PRO 52 61.742 12.888 2.725 404 H THR 53 H THR 53 65.717 15.326 5.998 405 HA THR 53 HA THR 53 67.887 15.749 4.247 406 HB THR 53 HB THR 53 68.992 15.265 6.756 407 HG1 THR 53 HG1 THR 53 67.391 15.120 8.077 408 1HG2 THR 53 1HG2 THR 53 67.678 17.670 5.498 409 2HG2 THR 53 2HG2 THR 53 68.460 17.769 7.076 410 3HG2 THR 53 3HG2 THR 53 69.400 17.316 5.654 411 HA PRO 54 HA PRO 54 69.934 11.893 3.777 412 1HB PRO 54 1HB PRO 54 72.537 12.382 4.472 413 2HB PRO 54 2HB PRO 54 71.803 13.000 2.979 414 1HG PRO 54 1HG PRO 54 72.308 14.399 5.557 415 2HG PRO 54 2HG PRO 54 72.467 14.997 3.898 416 1HD PRO 54 1HD PRO 54 70.346 15.582 5.505 417 2HD PRO 54 2HD PRO 54 70.245 15.519 3.732 418 H GLU 55 H GLU 55 70.431 13.459 6.901 419 HA GLU 55 HA GLU 55 71.391 11.069 8.267 420 1HB GLU 55 1HB GLU 55 70.671 13.883 8.848 421 2HB GLU 55 2HB GLU 55 70.458 12.768 10.198 422 1HG GLU 55 1HG GLU 55 72.730 12.159 10.219 423 2HG GLU 55 2HG GLU 55 72.996 12.741 8.575 424 H GLU 56 H GLU 56 68.268 12.399 7.454 425 HA GLU 56 HA GLU 56 66.830 10.754 9.444 426 1HB GLU 56 1HB GLU 56 66.387 13.074 7.766 427 2HB GLU 56 2HB GLU 56 65.077 11.910 7.553 428 1HG GLU 56 1HG GLU 56 66.069 12.719 10.292 429 2HG GLU 56 2HG GLU 56 64.793 13.607 9.458 430 H LEU 57 H LEU 57 68.124 10.311 6.338 431 HA LEU 57 HA LEU 57 66.037 8.525 5.302 432 1HB LEU 57 1HB LEU 57 68.521 9.816 4.453 433 2HB LEU 57 2HB LEU 57 68.401 8.155 3.868 434 HG LEU 57 HG LEU 57 66.139 10.148 3.601 435 1HD1 LEU 57 1HD1 LEU 57 68.645 9.923 2.102 436 2HD1 LEU 57 2HD1 LEU 57 67.222 9.749 1.075 437 3HD1 LEU 57 3HD1 LEU 57 67.425 11.196 2.063 438 1HD2 LEU 57 1HD2 LEU 57 65.698 7.657 3.461 439 2HD2 LEU 57 2HD2 LEU 57 65.272 8.556 2.007 440 3HD2 LEU 57 3HD2 LEU 57 66.762 7.615 2.055 441 H GLN 58 H GLN 58 69.488 8.017 6.149 442 HA GLN 58 HA GLN 58 69.654 5.258 6.076 443 1HB GLN 58 1HB GLN 58 71.118 7.398 7.074 444 2HB GLN 58 2HB GLN 58 70.838 6.402 8.502 445 1HG GLN 58 1HG GLN 58 71.866 5.282 5.884 446 2HG GLN 58 2HG GLN 58 72.929 5.816 7.187 447 1HE2 GLN 58 2HE2 GLN 58 72.075 3.008 6.019 448 2HE2 GLN 58 1HE2 GLN 58 71.753 2.109 7.422 449 H GLU 59 H GLU 59 67.936 7.204 8.455 450 HA GLU 59 HA GLU 59 67.602 5.167 10.464 451 1HB GLU 59 1HB GLU 59 66.855 7.877 9.918 452 2HB GLU 59 2HB GLU 59 65.403 6.994 10.390 453 1HG GLU 59 1HG GLU 59 66.654 6.110 12.375 454 2HG GLU 59 2HG GLU 59 68.004 7.157 11.937 455 H MET 60 H MET 60 65.659 6.126 7.635 456 HA MET 60 HA MET 60 63.393 4.455 8.150 457 1HB MET 60 1HB MET 60 64.414 6.225 6.157 458 2HB MET 60 2HB MET 60 63.920 4.739 5.346 459 1HG MET 60 1HG MET 60 61.715 5.099 5.767 460 2HG MET 60 2HG MET 60 62.029 5.675 7.404 461 1HE MET 60 1HE MET 60 62.873 6.222 3.895 462 2HE MET 60 2HE MET 60 61.356 7.059 3.573 463 3HE MET 60 3HE MET 60 62.881 7.957 3.587 464 H ILE 61 H ILE 61 66.338 3.880 6.194 465 HA ILE 61 HA ILE 61 65.655 1.253 5.302 466 HB ILE 61 HB ILE 61 68.153 2.884 5.681 467 1HG1 ILE 61 1HG1 ILE 61 68.151 2.219 3.120 468 2HG1 ILE 61 2HG1 ILE 61 66.451 1.861 3.431 469 1HG2 ILE 61 1HG2 ILE 61 68.018 -0.040 5.500 470 2HG2 ILE 61 2HG2 ILE 61 68.966 0.684 4.200 471 3HG2 ILE 61 3HG2 ILE 61 69.392 0.998 5.883 472 1HD1 ILE 61 1HD1 ILE 61 67.221 4.396 4.625 473 2HD1 ILE 61 2HD1 ILE 61 67.550 4.382 2.892 474 3HD1 ILE 61 3HD1 ILE 61 65.922 4.050 3.482 475 H ASP 62 H ASP 62 67.538 2.336 8.150 476 HA ASP 62 HA ASP 62 68.161 -0.277 9.144 477 1HB ASP 62 1HB ASP 62 67.894 2.487 10.339 478 2HB ASP 62 2HB ASP 62 68.391 1.104 11.316 479 H GLU 63 H GLU 63 65.309 1.776 9.472 480 HA GLU 63 HA GLU 63 64.042 0.559 11.692 481 1HB GLU 63 1HB GLU 63 63.271 2.611 10.634 482 2HB GLU 63 2HB GLU 63 62.954 1.754 9.123 483 1HG GLU 63 1HG GLU 63 61.435 0.244 10.689 484 2HG GLU 63 2HG GLU 63 61.421 1.694 11.694 485 H VAL 64 H VAL 64 64.573 -0.654 8.468 486 HA VAL 64 HA VAL 64 62.945 -3.077 9.159 487 HB VAL 64 HB VAL 64 62.407 -3.106 6.678 488 1HG1 VAL 64 1HG1 VAL 64 61.436 -1.255 8.734 489 2HG1 VAL 64 2HG1 VAL 64 61.100 -0.699 7.095 490 3HG1 VAL 64 3HG1 VAL 64 60.524 -2.279 7.626 491 1HG2 VAL 64 1HG2 VAL 64 64.428 -1.277 6.491 492 2HG2 VAL 64 2HG2 VAL 64 63.169 -1.476 5.272 493 3HG2 VAL 64 3HG2 VAL 64 63.020 -0.216 6.496 494 H ASP 65 H ASP 65 65.900 -2.449 9.324 495 HA ASP 65 HA ASP 65 66.896 -4.497 7.369 496 1HB ASP 65 1HB ASP 65 67.624 -1.964 7.398 497 2HB ASP 65 2HB ASP 65 68.617 -2.464 8.769 498 H GLU 66 H GLU 66 67.258 -6.409 8.428 499 HA GLU 66 HA GLU 66 68.270 -6.290 11.251 500 1HB GLU 66 1HB GLU 66 66.135 -7.760 9.867 501 2HB GLU 66 2HB GLU 66 67.172 -8.798 10.848 502 1HG GLU 66 1HG GLU 66 65.964 -6.226 11.888 503 2HG GLU 66 2HG GLU 66 65.183 -7.796 12.073 504 H ASP 67 H ASP 67 70.272 -6.096 9.481 505 HA ASP 67 HA ASP 67 71.514 -8.801 9.532 506 1HB ASP 67 1HB ASP 67 72.268 -8.272 7.119 507 2HB ASP 67 2HB ASP 67 70.583 -8.737 7.345 508 H GLY 68 H GLY 68 71.880 -5.308 8.985 509 1HA GLY 68 1HA GLY 68 73.638 -4.092 10.207 510 2HA GLY 68 2HA GLY 68 74.651 -5.532 10.077 511 H SER 69 H SER 69 72.710 -4.275 7.428 512 HA SER 69 HA SER 69 75.223 -3.860 5.876 513 1HB SER 69 1HB SER 69 73.723 -4.105 3.954 514 2HB SER 69 2HB SER 69 73.436 -5.420 5.090 515 HG SER 69 HG SER 69 71.532 -4.597 5.573 516 H GLY 70 H GLY 70 71.994 -2.330 5.724 517 1HA GLY 70 1HA GLY 70 71.983 0.115 6.570 518 2HA GLY 70 2HA GLY 70 73.378 0.307 5.506 519 H THR 71 H THR 71 71.677 -1.843 3.841 520 HA THR 71 HA THR 71 70.123 0.264 2.378 521 HB THR 71 HB THR 71 70.563 -1.219 0.410 522 HG1 THR 71 HG1 THR 71 72.456 -2.729 1.162 523 1HG2 THR 71 1HG2 THR 71 72.216 0.591 1.513 524 2HG2 THR 71 2HG2 THR 71 73.247 -0.835 1.636 525 3HG2 THR 71 3HG2 THR 71 72.644 -0.316 0.062 526 H VAL 72 H VAL 72 68.512 -1.259 0.813 527 HA VAL 72 HA VAL 72 67.082 -3.159 2.629 528 HB VAL 72 HB VAL 72 65.994 -0.733 1.171 529 1HG1 VAL 72 1HG1 VAL 72 64.526 -2.791 0.994 530 2HG1 VAL 72 2HG1 VAL 72 64.428 -2.787 2.755 531 3HG1 VAL 72 3HG1 VAL 72 63.783 -1.428 1.833 532 1HG2 VAL 72 1HG2 VAL 72 67.094 -0.449 3.432 533 2HG2 VAL 72 2HG2 VAL 72 65.398 0.031 3.386 534 3HG2 VAL 72 3HG2 VAL 72 65.857 -1.517 4.096 535 H ASP 73 H ASP 73 65.750 -4.689 1.471 536 HA ASP 73 HA ASP 73 66.113 -4.720 -1.502 537 1HB ASP 73 1HB ASP 73 66.529 -7.187 -1.236 538 2HB ASP 73 2HB ASP 73 67.771 -6.186 -0.485 539 H PHE 74 H PHE 74 64.556 -6.428 -2.475 540 HA PHE 74 HA PHE 74 61.870 -5.817 -1.924 541 1HB PHE 74 1HB PHE 74 63.087 -7.084 -3.863 542 2HB PHE 74 2HB PHE 74 62.760 -8.526 -2.901 543 HD1 PHE 74 HD1 PHE 74 60.788 -5.398 -3.534 544 HD2 PHE 74 HD2 PHE 74 60.951 -9.681 -3.823 545 HE1 PHE 74 HE1 PHE 74 58.454 -5.430 -4.371 546 HE2 PHE 74 HE2 PHE 74 58.617 -9.712 -4.660 547 HZ PHE 74 HZ PHE 74 57.368 -7.587 -4.935 548 H ASP 75 H ASP 75 64.016 -7.925 -0.191 549 HA ASP 75 HA ASP 75 61.900 -9.513 1.080 550 1HB ASP 75 1HB ASP 75 64.814 -9.396 0.885 551 2HB ASP 75 2HB ASP 75 64.276 -9.754 2.526 552 H GLU 76 H GLU 76 64.095 -6.863 2.067 553 HA GLU 76 HA GLU 76 62.827 -6.670 4.720 554 1HB GLU 76 1HB GLU 76 64.925 -5.030 3.264 555 2HB GLU 76 2HB GLU 76 64.512 -4.847 4.968 556 1HG GLU 76 1HG GLU 76 65.241 -7.101 5.455 557 2HG GLU 76 2HG GLU 76 65.471 -7.444 3.741 558 H PHE 77 H PHE 77 62.739 -4.966 1.623 559 HA PHE 77 HA PHE 77 61.469 -2.554 2.438 560 1HB PHE 77 1HB PHE 77 62.418 -2.851 0.239 561 2HB PHE 77 2HB PHE 77 61.362 -4.225 -0.088 562 HD1 PHE 77 HD1 PHE 77 61.558 -0.561 0.208 563 HD2 PHE 77 HD2 PHE 77 58.993 -3.911 -0.596 564 HE1 PHE 77 HE1 PHE 77 59.832 0.977 -0.693 565 HE2 PHE 77 HE2 PHE 77 57.267 -2.373 -1.496 566 HZ PHE 77 HZ PHE 77 57.686 0.070 -1.545 567 H LEU 78 H LEU 78 60.153 -5.779 1.822 568 HA LEU 78 HA LEU 78 57.384 -5.118 1.661 569 1HB LEU 78 1HB LEU 78 59.000 -7.513 2.530 570 2HB LEU 78 2HB LEU 78 57.236 -7.553 2.562 571 HG LEU 78 HG LEU 78 58.815 -6.751 0.109 572 1HD1 LEU 78 1HD1 LEU 78 57.693 -9.462 0.881 573 2HD1 LEU 78 2HD1 LEU 78 58.317 -9.049 -0.717 574 3HD1 LEU 78 3HD1 LEU 78 59.398 -9.058 0.677 575 1HD2 LEU 78 1HD2 LEU 78 56.401 -6.048 0.353 576 2HD2 LEU 78 2HD2 LEU 78 56.709 -7.093 -1.035 577 3HD2 LEU 78 3HD2 LEU 78 55.971 -7.757 0.423 578 H VAL 79 H VAL 79 59.362 -6.054 4.499 579 HA VAL 79 HA VAL 79 57.286 -5.889 6.447 580 HB VAL 79 HB VAL 79 60.286 -5.466 6.550 581 1HG1 VAL 79 1HG1 VAL 79 58.207 -5.600 8.730 582 2HG1 VAL 79 2HG1 VAL 79 59.870 -6.105 9.031 583 3HG1 VAL 79 3HG1 VAL 79 59.527 -4.446 8.539 584 1HG2 VAL 79 1HG2 VAL 79 59.079 -7.717 5.874 585 2HG2 VAL 79 2HG2 VAL 79 60.438 -7.750 6.996 586 3HG2 VAL 79 3HG2 VAL 79 58.788 -7.843 7.608 587 H MET 80 H MET 80 59.003 -3.411 4.735 588 HA MET 80 HA MET 80 58.655 -1.279 6.679 589 1HB MET 80 1HB MET 80 60.259 -1.601 4.618 590 2HB MET 80 2HB MET 80 58.919 -0.903 3.706 591 1HG MET 80 1HG MET 80 59.050 1.146 4.825 592 2HG MET 80 2HG MET 80 59.865 0.442 6.222 593 1HE MET 80 1HE MET 80 59.753 1.202 2.714 594 2HE MET 80 2HE MET 80 61.268 2.015 2.329 595 3HE MET 80 3HE MET 80 61.122 0.265 2.120 596 H MET 81 H MET 81 56.556 -2.843 4.430 597 HA MET 81 HA MET 81 54.672 -0.520 4.435 598 1HB MET 81 1HB MET 81 54.731 -3.075 2.796 599 2HB MET 81 2HB MET 81 53.663 -1.698 2.526 600 1HG MET 81 1HG MET 81 56.679 -1.762 2.256 601 2HG MET 81 2HG MET 81 55.495 -1.481 0.979 602 1HE MET 81 1HE MET 81 55.017 0.415 0.105 603 2HE MET 81 2HE MET 81 55.389 2.057 0.648 604 3HE MET 81 3HE MET 81 56.691 0.945 0.235 605 H VAL 82 H VAL 82 54.885 -4.001 5.183 606 HA VAL 82 HA VAL 82 52.195 -4.504 5.891 607 HB VAL 82 HB VAL 82 54.674 -5.531 7.303 608 1HG1 VAL 82 1HG1 VAL 82 51.995 -6.104 7.680 609 2HG1 VAL 82 2HG1 VAL 82 52.513 -7.377 6.574 610 3HG1 VAL 82 3HG1 VAL 82 53.334 -7.164 8.120 611 1HG2 VAL 82 1HG2 VAL 82 53.915 -5.674 4.504 612 2HG2 VAL 82 2HG2 VAL 82 55.389 -6.246 5.286 613 3HG2 VAL 82 3HG2 VAL 82 53.963 -7.283 5.225 614 H ARG 83 H ARG 83 54.789 -2.949 7.732 615 HA ARG 83 HA ARG 83 53.597 -2.882 10.303 616 1HB ARG 83 1HB ARG 83 55.636 -1.408 8.740 617 2HB ARG 83 2HB ARG 83 54.976 -0.530 10.120 618 1HG ARG 83 1HG ARG 83 55.442 -2.568 11.535 619 2HG ARG 83 2HG ARG 83 56.293 -3.257 10.152 620 1HD ARG 83 1HD ARG 83 57.606 -0.973 10.163 621 2HD ARG 83 2HD ARG 83 57.055 -0.892 11.849 622 HE ARG 83 HE ARG 83 58.634 -3.174 10.723 623 1HH1 ARG 83 1HH1 ARG 83 58.756 -0.689 12.927 624 2HH1 ARG 83 2HH1 ARG 83 59.176 -1.666 14.294 625 1HH2 ARG 83 1HH2 ARG 83 58.640 -4.670 12.648 626 2HH2 ARG 83 2HH2 ARG 83 59.113 -3.919 14.135 627 H CYS 84 H CYS 84 52.732 -1.194 7.392 628 HA CYS 84 HA CYS 84 51.053 0.744 8.931 629 1HB CYS 84 1HB CYS 84 52.674 1.587 7.254 630 2HB CYS 84 2HB CYS 84 51.875 0.624 6.011 631 HG CYS 84 HG CYS 84 50.529 3.045 7.465 632 H MET 85 H MET 85 50.786 -2.246 7.430 633 HA MET 85 HA MET 85 48.323 -1.988 5.970 634 1HB MET 85 1HB MET 85 50.230 -3.968 6.724 635 2HB MET 85 2HB MET 85 48.639 -4.573 7.184 636 1HG MET 85 1HG MET 85 47.920 -3.756 4.807 637 2HG MET 85 2HG MET 85 49.648 -3.799 4.458 638 1HE MET 85 1HE MET 85 50.267 -5.254 3.141 639 2HE MET 85 2HE MET 85 50.062 -7.011 3.119 640 3HE MET 85 3HE MET 85 48.801 -5.966 2.469 641 H LYS 86 H LYS 86 46.703 -3.991 7.176 642 HA LYS 86 HA LYS 86 46.119 -3.462 9.950 643 1HB LYS 86 1HB LYS 86 45.609 -1.255 8.858 644 2HB LYS 86 2HB LYS 86 44.373 -2.067 7.896 645 1HG LYS 86 1HG LYS 86 42.906 -1.961 9.597 646 2HG LYS 86 2HG LYS 86 44.051 -2.749 10.683 647 1HD LYS 86 1HD LYS 86 44.493 0.131 9.995 648 2HD LYS 86 2HD LYS 86 43.230 -0.273 11.158 649 1HE LYS 86 1HE LYS 86 45.736 -1.730 11.646 650 2HE LYS 86 2HE LYS 86 45.903 0.031 11.796 651 1HZ LYS 86 1HZ LYS 86 43.887 0.046 13.163 652 2HZ LYS 86 2HZ LYS 86 43.808 -1.646 13.077 653 3HZ LYS 86 3HZ LYS 86 45.110 -0.898 13.871 654 H ASP 87 H ASP 87 45.457 -5.569 10.298 655 HA ASP 87 HA ASP 87 44.093 -7.231 8.412 656 1HB ASP 87 1HB ASP 87 45.318 -7.477 10.858 657 2HB ASP 87 2HB ASP 87 43.623 -7.710 11.288 658 H ASP 88 H ASP 88 42.051 -6.806 7.646 659 HA ASP 88 HA ASP 88 39.760 -6.686 9.364 660 1HB ASP 88 1HB ASP 88 41.155 -4.395 9.521 661 2HB ASP 88 2HB ASP 88 40.197 -4.021 8.088 662 H SER 89 H SER 89 37.770 -6.480 8.110 663 HA SER 89 HA SER 89 38.087 -7.319 5.315 664 1HB SER 89 1HB SER 89 35.635 -7.591 5.496 665 2HB SER 89 2HB SER 89 36.448 -8.312 6.883 666 HG SER 89 HG SER 89 34.624 -6.363 6.828 667 1H ARG 1 1H ARG 1 59.277 6.814 7.529 668 2H ARG 1 2H ARG 1 59.976 8.228 8.161 669 3H ARG 1 3H ARG 1 59.583 6.938 9.192 670 HA ARG 1 HA ARG 1 57.354 7.411 9.201 671 1HB ARG 1 1HB ARG 1 58.876 9.971 8.614 672 2HB ARG 1 2HB ARG 1 57.252 9.931 9.300 673 1HG ARG 1 1HG ARG 1 58.201 8.426 11.128 674 2HG ARG 1 2HG ARG 1 59.800 8.853 10.518 675 1HD ARG 1 1HD ARG 1 57.997 11.162 10.959 676 2HD ARG 1 2HD ARG 1 58.494 10.301 12.430 677 HE ARG 1 HE ARG 1 60.868 10.466 11.171 678 1HH1 ARG 1 1HH1 ARG 1 59.024 12.718 9.785 679 2HH1 ARG 1 2HH1 ARG 1 59.777 14.112 10.486 680 1HH2 ARG 1 1HH2 ARG 1 61.554 12.294 12.845 681 2HH2 ARG 1 2HH2 ARG 1 61.207 13.872 12.219 682 H ILE 2 H ILE 2 57.695 6.385 6.616 683 HA ILE 2 HA ILE 2 56.468 8.376 4.765 684 HB ILE 2 HB ILE 2 58.446 7.127 4.030 685 1HG1 ILE 2 1HG1 ILE 2 55.937 6.069 2.690 686 2HG1 ILE 2 2HG1 ILE 2 56.664 7.642 2.366 687 1HG2 ILE 2 1HG2 ILE 2 56.934 4.908 5.229 688 2HG2 ILE 2 2HG2 ILE 2 57.649 4.517 3.664 689 3HG2 ILE 2 3HG2 ILE 2 58.672 5.082 4.985 690 1HD1 ILE 2 1HD1 ILE 2 58.637 5.509 2.203 691 2HD1 ILE 2 2HD1 ILE 2 57.296 5.231 1.093 692 3HD1 ILE 2 3HD1 ILE 2 58.216 6.733 1.004 693 H SER 3 H SER 3 54.691 7.397 3.309 694 HA SER 3 HA SER 3 52.865 5.692 4.975 695 1HB SER 3 1HB SER 3 52.589 8.304 4.008 696 2HB SER 3 2HB SER 3 51.617 7.329 2.909 697 HG SER 3 HG SER 3 50.642 6.408 4.804 698 H ALA 4 H ALA 4 51.096 4.703 3.398 699 HA ALA 4 HA ALA 4 52.574 3.440 1.119 700 1HB ALA 4 1HB ALA 4 51.617 2.193 3.215 701 2HB ALA 4 2HB ALA 4 50.059 2.406 2.418 702 3HB ALA 4 3HB ALA 4 51.341 1.496 1.618 703 H ASP 5 H ASP 5 49.506 4.943 2.085 704 HA ASP 5 HA ASP 5 48.204 4.615 -0.485 705 1HB ASP 5 1HB ASP 5 47.696 5.649 2.160 706 2HB ASP 5 2HB ASP 5 47.145 6.817 0.959 707 H ALA 6 H ALA 6 50.313 7.053 0.942 708 HA ALA 6 HA ALA 6 49.789 9.035 -1.164 709 1HB ALA 6 1HB ALA 6 50.806 8.970 1.448 710 2HB ALA 6 2HB ALA 6 52.189 9.402 0.442 711 3HB ALA 6 3HB ALA 6 50.724 10.382 0.394 712 H MET 7 H MET 7 51.821 6.281 -0.804 713 HA MET 7 HA MET 7 53.948 7.269 -2.582 714 1HB MET 7 1HB MET 7 53.619 5.286 -0.622 715 2HB MET 7 2HB MET 7 53.845 4.402 -2.130 716 1HG MET 7 1HG MET 7 55.677 6.500 -0.949 717 2HG MET 7 2HG MET 7 56.033 4.793 -1.209 718 1HE MET 7 1HE MET 7 57.596 4.359 -2.441 719 2HE MET 7 2HE MET 7 56.739 3.805 -3.878 720 3HE MET 7 3HE MET 7 58.075 4.941 -4.041 721 H MET 8 H MET 8 50.882 5.739 -2.926 722 HA MET 8 HA MET 8 51.463 4.387 -5.456 723 1HB MET 8 1HB MET 8 48.871 5.157 -4.072 724 2HB MET 8 2HB MET 8 49.018 4.003 -5.399 725 1HG MET 8 1HG MET 8 50.199 3.751 -2.620 726 2HG MET 8 2HG MET 8 48.945 2.740 -3.340 727 1HE MET 8 1HE MET 8 52.228 3.804 -2.810 728 2HE MET 8 2HE MET 8 53.273 2.442 -3.210 729 3HE MET 8 3HE MET 8 52.991 3.710 -4.403 730 H GLN 9 H GLN 9 49.537 7.275 -4.541 731 HA GLN 9 HA GLN 9 49.286 8.083 -7.360 732 1HB GLN 9 1HB GLN 9 48.100 8.654 -4.757 733 2HB GLN 9 2HB GLN 9 48.398 10.132 -5.674 734 1HG GLN 9 1HG GLN 9 46.772 9.655 -7.173 735 2HG GLN 9 2HG GLN 9 47.292 7.976 -7.320 736 1HE2 GLN 9 2HE2 GLN 9 44.690 7.920 -7.291 737 2HE2 GLN 9 1HE2 GLN 9 44.009 7.645 -5.761 738 H ALA 10 H ALA 10 51.688 8.410 -5.022 739 HA ALA 10 HA ALA 10 52.487 11.166 -5.578 740 1HB ALA 10 1HB ALA 10 53.471 8.794 -4.044 741 2HB ALA 10 2HB ALA 10 54.630 10.072 -4.409 742 3HB ALA 10 3HB ALA 10 53.172 10.441 -3.488 743 H LEU 11 H LEU 11 53.964 7.981 -6.347 744 HA LEU 11 HA LEU 11 54.910 9.092 -8.938 745 1HB LEU 11 1HB LEU 11 57.231 8.283 -8.338 746 2HB LEU 11 2HB LEU 11 56.671 9.647 -7.369 747 HG LEU 11 HG LEU 11 55.751 7.336 -6.041 748 1HD1 LEU 11 1HD1 LEU 11 57.577 6.265 -7.564 749 2HD1 LEU 11 2HD1 LEU 11 58.717 7.071 -6.488 750 3HD1 LEU 11 3HD1 LEU 11 57.587 5.881 -5.843 751 1HD2 LEU 11 1HD2 LEU 11 56.735 9.657 -5.284 752 2HD2 LEU 11 2HD2 LEU 11 56.927 8.249 -4.239 753 3HD2 LEU 11 3HD2 LEU 11 58.267 8.782 -5.255 754 H LEU 12 H LEU 12 53.124 6.831 -7.733 755 HA LEU 12 HA LEU 12 54.436 4.546 -9.167 756 1HB LEU 12 1HB LEU 12 52.811 4.865 -6.688 757 2HB LEU 12 2HB LEU 12 52.558 3.389 -7.620 758 HG LEU 12 HG LEU 12 54.319 3.006 -5.975 759 1HD1 LEU 12 1HD1 LEU 12 54.493 2.447 -8.647 760 2HD1 LEU 12 2HD1 LEU 12 56.014 3.298 -8.378 761 3HD1 LEU 12 3HD1 LEU 12 55.632 1.855 -7.438 762 1HD2 LEU 12 1HD2 LEU 12 54.904 5.623 -6.192 763 2HD2 LEU 12 2HD2 LEU 12 56.075 4.449 -5.592 764 3HD2 LEU 12 3HD2 LEU 12 56.141 4.980 -7.272 765 H GLY 13 H GLY 13 53.321 3.656 -10.882 766 1HA GLY 13 1HA GLY 13 50.521 3.560 -11.225 767 2HA GLY 13 2HA GLY 13 51.081 5.028 -12.028 768 H ALA 14 H ALA 14 50.212 3.726 -13.956 769 HA ALA 14 HA ALA 14 52.509 2.330 -15.221 770 1HB ALA 14 1HB ALA 14 50.054 1.110 -14.185 771 2HB ALA 14 2HB ALA 14 50.334 0.732 -15.885 772 3HB ALA 14 3HB ALA 14 51.562 0.339 -14.680 773 H ARG 15 H ARG 15 52.417 2.442 -17.521 774 HA ARG 15 HA ARG 15 50.025 3.605 -18.819 775 1HB ARG 15 1HB ARG 15 51.920 5.268 -17.747 776 2HB ARG 15 2HB ARG 15 52.532 5.068 -19.390 777 1HG ARG 15 1HG ARG 15 49.631 5.485 -19.293 778 2HG ARG 15 2HG ARG 15 50.547 6.840 -18.630 779 1HD ARG 15 1HD ARG 15 51.835 5.895 -21.040 780 2HD ARG 15 2HD ARG 15 50.132 6.266 -21.367 781 HE ARG 15 HE ARG 15 50.584 8.481 -20.168 782 1HH1 ARG 15 1HH1 ARG 15 53.402 7.859 -19.365 783 2HH1 ARG 15 2HH1 ARG 15 54.317 8.653 -20.603 784 1HH2 ARG 15 1HH2 ARG 15 51.620 8.978 -22.759 785 2HH2 ARG 15 2HH2 ARG 15 53.308 9.287 -22.523 786 H ALA 16 H ALA 16 51.718 1.113 -18.993 787 HA ALA 16 HA ALA 16 52.294 1.280 -21.924 788 1HB ALA 16 1HB ALA 16 54.201 1.247 -19.900 789 2HB ALA 16 2HB ALA 16 54.106 -0.442 -20.396 790 3HB ALA 16 3HB ALA 16 54.488 0.805 -21.582 791 H LYS 17 H LYS 17 51.673 -0.755 -19.076 792 HA LYS 17 HA LYS 17 51.293 -3.218 -20.544 793 1HB LYS 17 1HB LYS 17 51.199 -2.181 -17.838 794 2HB LYS 17 2HB LYS 17 49.836 -3.263 -18.126 795 1HG LYS 17 1HG LYS 17 51.847 -4.670 -19.309 796 2HG LYS 17 2HG LYS 17 52.731 -3.868 -18.010 797 1HD LYS 17 1HD LYS 17 50.896 -4.661 -16.434 798 2HD LYS 17 2HD LYS 17 50.318 -5.674 -17.758 799 1HE LYS 17 1HE LYS 17 51.798 -7.047 -16.424 800 2HE LYS 17 2HE LYS 17 52.697 -6.620 -17.895 801 1HZ LYS 17 1HZ LYS 17 52.804 -4.705 -15.707 802 2HZ LYS 17 2HZ LYS 17 53.639 -6.158 -15.453 803 3HZ LYS 17 3HZ LYS 17 54.022 -5.182 -16.790 Start of MODEL 5 1 1H MET 1 1H MET 1 58.975 -10.789 16.887 2 2H MET 1 2H MET 1 59.548 -10.225 18.380 3 3H MET 1 3H MET 1 58.156 -9.537 17.691 4 HA MET 1 HA MET 1 59.319 -8.271 16.209 5 1HB MET 1 1HB MET 1 60.795 -8.830 18.748 6 2HB MET 1 2HB MET 1 61.606 -7.830 17.542 7 1HG MET 1 1HG MET 1 58.826 -7.320 18.642 8 2HG MET 1 2HG MET 1 60.285 -6.455 19.129 9 1HE MET 1 1HE MET 1 59.055 -4.620 18.889 10 2HE MET 1 2HE MET 1 60.096 -3.689 17.804 11 3HE MET 1 3HE MET 1 58.380 -3.866 17.446 12 H ASP 2 H ASP 2 60.819 -11.333 16.926 13 HA ASP 2 HA ASP 2 62.693 -10.967 14.611 14 1HB ASP 2 1HB ASP 2 63.168 -11.656 17.244 15 2HB ASP 2 2HB ASP 2 63.099 -13.230 16.449 16 H ASP 3 H ASP 3 62.287 -12.240 12.839 17 HA ASP 3 HA ASP 3 61.300 -13.912 11.489 18 1HB ASP 3 1HB ASP 3 62.504 -15.040 13.713 19 2HB ASP 3 2HB ASP 3 60.889 -15.747 13.747 20 H ILE 4 H ILE 4 59.545 -11.947 12.833 21 HA ILE 4 HA ILE 4 57.071 -13.608 13.182 22 HB ILE 4 HB ILE 4 58.006 -12.239 15.117 23 1HG1 ILE 4 1HG1 ILE 4 55.248 -11.596 14.025 24 2HG1 ILE 4 2HG1 ILE 4 55.670 -12.919 15.115 25 1HG2 ILE 4 1HG2 ILE 4 58.761 -10.316 13.764 26 2HG2 ILE 4 2HG2 ILE 4 57.088 -9.957 13.340 27 3HG2 ILE 4 3HG2 ILE 4 57.625 -9.802 15.012 28 1HD1 ILE 4 1HD1 ILE 4 56.582 -10.358 16.153 29 2HD1 ILE 4 2HD1 ILE 4 54.842 -10.355 15.868 30 3HD1 ILE 4 3HD1 ILE 4 55.561 -11.573 16.921 31 H TYR 5 H TYR 5 58.627 -11.129 11.325 32 HA TYR 5 HA TYR 5 56.102 -10.102 10.178 33 1HB TYR 5 1HB TYR 5 59.026 -9.486 10.097 34 2HB TYR 5 2HB TYR 5 58.037 -8.935 8.744 35 HD1 TYR 5 HD1 TYR 5 58.617 -8.660 12.379 36 HD2 TYR 5 HD2 TYR 5 56.309 -7.244 9.044 37 HE1 TYR 5 HE1 TYR 5 57.782 -6.774 13.756 38 HE2 TYR 5 HE2 TYR 5 55.474 -5.360 10.421 39 HH TYR 5 HH TYR 5 56.696 -4.150 12.819 40 H LYS 6 H LYS 6 58.891 -12.091 9.199 41 HA LYS 6 HA LYS 6 58.446 -12.396 6.460 42 1HB LYS 6 1HB LYS 6 59.396 -14.724 6.895 43 2HB LYS 6 2HB LYS 6 60.330 -13.392 7.575 44 1HG LYS 6 1HG LYS 6 59.847 -13.976 9.728 45 2HG LYS 6 2HG LYS 6 58.205 -14.482 9.327 46 1HD LYS 6 1HD LYS 6 59.442 -16.436 8.054 47 2HD LYS 6 2HD LYS 6 60.762 -16.040 9.153 48 1HE LYS 6 1HE LYS 6 59.428 -16.505 11.086 49 2HE LYS 6 2HE LYS 6 57.935 -16.555 10.125 50 1HZ LYS 6 1HZ LYS 6 60.147 -18.299 9.326 51 2HZ LYS 6 2HZ LYS 6 59.253 -18.748 10.700 52 3HZ LYS 6 3HZ LYS 6 58.471 -18.555 9.208 53 H ALA 7 H ALA 7 56.488 -13.532 9.108 54 HA ALA 7 HA ALA 7 55.019 -15.539 7.568 55 1HB ALA 7 1HB ALA 7 54.765 -14.190 10.256 56 2HB ALA 7 2HB ALA 7 53.520 -15.294 9.674 57 3HB ALA 7 3HB ALA 7 55.170 -15.870 9.909 58 H ALA 8 H ALA 8 54.490 -12.157 8.548 59 HA ALA 8 HA ALA 8 51.781 -11.949 7.597 60 1HB ALA 8 1HB ALA 8 53.092 -10.441 9.185 61 2HB ALA 8 2HB ALA 8 53.888 -9.777 7.758 62 3HB ALA 8 3HB ALA 8 52.145 -9.597 7.960 63 H VAL 9 H VAL 9 54.870 -11.917 5.983 64 HA VAL 9 HA VAL 9 54.055 -10.484 3.602 65 HB VAL 9 HB VAL 9 56.228 -12.573 3.914 66 1HG1 VAL 9 1HG1 VAL 9 55.723 -10.217 2.103 67 2HG1 VAL 9 2HG1 VAL 9 57.362 -10.811 2.372 68 3HG1 VAL 9 3HG1 VAL 9 56.144 -11.873 1.667 69 1HG2 VAL 9 1HG2 VAL 9 55.876 -9.944 5.204 70 2HG2 VAL 9 2HG2 VAL 9 56.954 -11.272 5.634 71 3HG2 VAL 9 3HG2 VAL 9 57.419 -10.134 4.369 72 H GLU 10 H GLU 10 54.450 -13.976 4.319 73 HA GLU 10 HA GLU 10 53.561 -14.930 1.775 74 1HB GLU 10 1HB GLU 10 54.281 -15.909 4.398 75 2HB GLU 10 2HB GLU 10 52.864 -16.777 3.807 76 1HG GLU 10 1HG GLU 10 54.329 -18.038 2.627 77 2HG GLU 10 2HG GLU 10 54.480 -16.639 1.563 78 H GLN 11 H GLN 11 51.825 -13.369 4.267 79 HA GLN 11 HA GLN 11 49.248 -14.695 3.668 80 1HB GLN 11 1HB GLN 11 50.466 -13.214 5.792 81 2HB GLN 11 2HB GLN 11 49.013 -12.350 5.291 82 1HG GLN 11 1HG GLN 11 47.652 -14.324 5.596 83 2HG GLN 11 2HG GLN 11 49.079 -15.319 5.890 84 1HE2 GLN 11 2HE2 GLN 11 50.540 -14.205 7.780 85 2HE2 GLN 11 1HE2 GLN 11 49.653 -13.770 9.160 86 H LEU 12 H LEU 12 51.061 -12.428 2.098 87 HA LEU 12 HA LEU 12 49.134 -10.332 1.584 88 1HB LEU 12 1HB LEU 12 51.536 -11.321 0.009 89 2HB LEU 12 2HB LEU 12 50.760 -9.748 -0.186 90 HG LEU 12 HG LEU 12 51.792 -10.635 2.502 91 1HD1 LEU 12 1HD1 LEU 12 53.654 -10.806 0.856 92 2HD1 LEU 12 2HD1 LEU 12 53.351 -9.137 0.374 93 3HD1 LEU 12 3HD1 LEU 12 53.904 -9.495 2.009 94 1HD2 LEU 12 1HD2 LEU 12 51.147 -8.002 1.155 95 2HD2 LEU 12 2HD2 LEU 12 50.379 -8.704 2.579 96 3HD2 LEU 12 3HD2 LEU 12 52.032 -8.096 2.678 97 H THR 13 H THR 13 49.617 -10.555 -1.409 98 HA THR 13 HA THR 13 47.911 -12.883 -2.124 99 HB THR 13 HB THR 13 46.646 -10.897 -3.480 100 HG1 THR 13 HG1 THR 13 46.416 -9.195 -1.906 101 1HG2 THR 13 1HG2 THR 13 45.707 -12.663 -1.926 102 2HG2 THR 13 2HG2 THR 13 46.022 -11.552 -0.593 103 3HG2 THR 13 3HG2 THR 13 44.882 -11.105 -1.862 104 H GLU 14 H GLU 14 47.618 -12.848 -4.637 105 HA GLU 14 HA GLU 14 50.190 -12.828 -5.891 106 1HB GLU 14 1HB GLU 14 47.761 -13.894 -6.393 107 2HB GLU 14 2HB GLU 14 47.708 -12.532 -7.512 108 1HG GLU 14 1HG GLU 14 48.649 -14.462 -8.662 109 2HG GLU 14 2HG GLU 14 49.915 -13.255 -8.432 110 H GLU 15 H GLU 15 47.425 -10.570 -6.223 111 HA GLU 15 HA GLU 15 48.804 -8.742 -7.980 112 1HB GLU 15 1HB GLU 15 46.301 -8.857 -6.356 113 2HB GLU 15 2HB GLU 15 46.836 -7.266 -6.899 114 1HG GLU 15 1HG GLU 15 46.988 -9.329 -8.985 115 2HG GLU 15 2HG GLU 15 45.347 -9.023 -8.412 116 H GLN 16 H GLN 16 48.120 -8.672 -4.467 117 HA GLN 16 HA GLN 16 49.305 -6.189 -3.835 118 1HB GLN 16 1HB GLN 16 47.976 -7.519 -2.285 119 2HB GLN 16 2HB GLN 16 49.171 -8.815 -2.319 120 1HG GLN 16 1HG GLN 16 50.645 -7.683 -0.967 121 2HG GLN 16 2HG GLN 16 50.147 -6.101 -1.571 122 1HE2 GLN 16 2HE2 GLN 16 48.863 -4.914 -0.154 123 2HE2 GLN 16 1HE2 GLN 16 47.944 -5.571 1.113 124 H LYS 17 H LYS 17 50.839 -9.430 -3.864 125 HA LYS 17 HA LYS 17 53.441 -8.749 -3.083 126 1HB LYS 17 1HB LYS 17 52.035 -10.874 -4.413 127 2HB LYS 17 2HB LYS 17 53.575 -10.615 -5.235 128 1HG LYS 17 1HG LYS 17 54.799 -11.318 -3.444 129 2HG LYS 17 2HG LYS 17 53.703 -10.574 -2.278 130 1HD LYS 17 1HD LYS 17 52.717 -12.560 -1.908 131 2HD LYS 17 2HD LYS 17 52.309 -12.691 -3.619 132 1HE LYS 17 1HE LYS 17 53.696 -14.612 -2.957 133 2HE LYS 17 2HE LYS 17 54.629 -13.568 -4.047 134 1HZ LYS 17 1HZ LYS 17 55.535 -12.432 -2.100 135 2HZ LYS 17 2HZ LYS 17 54.694 -13.495 -1.075 136 3HZ LYS 17 3HZ LYS 17 55.926 -14.085 -2.081 137 H ASN 18 H ASN 18 52.324 -8.971 -6.489 138 HA ASN 18 HA ASN 18 54.626 -7.860 -7.698 139 1HB ASN 18 1HB ASN 18 51.685 -7.843 -8.425 140 2HB ASN 18 2HB ASN 18 52.953 -7.324 -9.537 141 1HD2 ASN 18 2HD2 ASN 18 51.280 -10.077 -8.316 142 2HD2 ASN 18 1HD2 ASN 18 52.268 -11.266 -9.018 143 H GLU 19 H GLU 19 52.074 -6.301 -5.901 144 HA GLU 19 HA GLU 19 52.325 -3.646 -6.980 145 1HB GLU 19 1HB GLU 19 50.600 -4.864 -5.366 146 2HB GLU 19 2HB GLU 19 51.642 -4.190 -4.112 147 1HG GLU 19 1HG GLU 19 51.404 -1.946 -5.271 148 2HG GLU 19 2HG GLU 19 50.156 -2.682 -6.275 149 H PHE 20 H PHE 20 53.854 -5.248 -4.170 150 HA PHE 20 HA PHE 20 55.335 -3.030 -3.195 151 1HB PHE 20 1HB PHE 20 55.746 -6.026 -3.206 152 2HB PHE 20 2HB PHE 20 56.844 -4.944 -2.352 153 HD1 PHE 20 HD1 PHE 20 55.298 -2.930 -1.123 154 HD2 PHE 20 HD2 PHE 20 54.236 -7.043 -1.757 155 HE1 PHE 20 HE1 PHE 20 53.709 -2.812 0.778 156 HE2 PHE 20 HE2 PHE 20 52.648 -6.926 0.144 157 HZ PHE 20 HZ PHE 20 52.384 -4.811 1.412 158 H LYS 21 H LYS 21 56.367 -5.587 -5.490 159 HA LYS 21 HA LYS 21 58.971 -4.871 -6.045 160 1HB LYS 21 1HB LYS 21 56.676 -5.996 -7.531 161 2HB LYS 21 2HB LYS 21 57.974 -5.367 -8.547 162 1HG LYS 21 1HG LYS 21 59.167 -7.227 -8.136 163 2HG LYS 21 2HG LYS 21 59.206 -6.797 -6.424 164 1HD LYS 21 1HD LYS 21 57.644 -8.344 -5.887 165 2HD LYS 21 2HD LYS 21 56.634 -7.926 -7.271 166 1HE LYS 21 1HE LYS 21 59.174 -9.578 -7.489 167 2HE LYS 21 2HE LYS 21 57.544 -10.272 -7.395 168 1HZ LYS 21 1HZ LYS 21 57.341 -8.259 -9.243 169 2HZ LYS 21 2HZ LYS 21 58.831 -8.989 -9.604 170 3HZ LYS 21 3HZ LYS 21 57.410 -9.920 -9.580 171 H ALA 22 H ALA 22 56.049 -3.206 -7.210 172 HA ALA 22 HA ALA 22 57.177 -1.423 -9.073 173 1HB ALA 22 1HB ALA 22 54.750 -1.816 -8.407 174 2HB ALA 22 2HB ALA 22 55.043 -0.762 -7.025 175 3HB ALA 22 3HB ALA 22 55.189 -0.127 -8.665 176 H ALA 23 H ALA 23 56.451 -0.548 -5.665 177 HA ALA 23 HA ALA 23 57.958 1.844 -5.614 178 1HB ALA 23 1HB ALA 23 56.279 0.825 -3.944 179 2HB ALA 23 2HB ALA 23 57.652 -0.075 -3.297 180 3HB ALA 23 3HB ALA 23 57.654 1.688 -3.255 181 H PHE 24 H PHE 24 58.966 -1.512 -5.076 182 HA PHE 24 HA PHE 24 61.603 -0.977 -4.088 183 1HB PHE 24 1HB PHE 24 60.579 -3.145 -3.872 184 2HB PHE 24 2HB PHE 24 60.325 -3.262 -5.613 185 HD1 PHE 24 HD1 PHE 24 63.114 -2.720 -3.157 186 HD2 PHE 24 HD2 PHE 24 61.863 -4.474 -6.872 187 HE1 PHE 24 HE1 PHE 24 65.349 -3.764 -3.416 188 HE2 PHE 24 HE2 PHE 24 64.096 -5.518 -7.133 189 HZ PHE 24 HZ PHE 24 65.842 -5.162 -5.406 190 H ASP 25 H ASP 25 60.329 -1.445 -7.390 191 HA ASP 25 HA ASP 25 62.777 -1.418 -8.823 192 1HB ASP 25 1HB ASP 25 59.976 -0.427 -9.430 193 2HB ASP 25 2HB ASP 25 61.247 -0.490 -10.653 194 H ILE 26 H ILE 26 60.704 1.288 -7.762 195 HA ILE 26 HA ILE 26 62.408 3.352 -8.902 196 HB ILE 26 HB ILE 26 60.144 3.255 -6.893 197 1HG1 ILE 26 1HG1 ILE 26 59.197 4.664 -8.948 198 2HG1 ILE 26 2HG1 ILE 26 60.453 3.787 -9.822 199 1HG2 ILE 26 1HG2 ILE 26 62.060 5.344 -7.265 200 2HG2 ILE 26 2HG2 ILE 26 60.527 5.881 -7.951 201 3HG2 ILE 26 3HG2 ILE 26 60.605 5.365 -6.266 202 1HD1 ILE 26 1HD1 ILE 26 58.441 2.412 -8.028 203 2HD1 ILE 26 2HD1 ILE 26 58.179 2.645 -9.757 204 3HD1 ILE 26 3HD1 ILE 26 59.533 1.664 -9.195 205 H PHE 27 H PHE 27 62.099 1.798 -5.733 206 HA PHE 27 HA PHE 27 63.630 3.572 -4.145 207 1HB PHE 27 1HB PHE 27 62.872 0.692 -4.171 208 2HB PHE 27 2HB PHE 27 64.183 1.150 -3.084 209 HD1 PHE 27 HD1 PHE 27 61.292 3.253 -4.132 210 HD2 PHE 27 HD2 PHE 27 63.124 1.015 -0.958 211 HE1 PHE 27 HE1 PHE 27 59.646 4.182 -2.526 212 HE2 PHE 27 HE2 PHE 27 61.477 1.943 0.648 213 HZ PHE 27 HZ PHE 27 59.739 3.527 -0.136 214 H VAL 28 H VAL 28 64.667 1.448 -6.709 215 HA VAL 28 HA VAL 28 67.525 1.902 -5.908 216 HB VAL 28 HB VAL 28 67.986 -0.246 -6.894 217 1HG1 VAL 28 1HG1 VAL 28 65.660 -0.055 -5.039 218 2HG1 VAL 28 2HG1 VAL 28 65.985 -1.628 -5.763 219 3HG1 VAL 28 3HG1 VAL 28 67.228 -0.825 -4.804 220 1HG2 VAL 28 1HG2 VAL 28 65.181 0.008 -7.984 221 2HG2 VAL 28 2HG2 VAL 28 66.683 -0.218 -8.880 222 3HG2 VAL 28 3HG2 VAL 28 66.021 -1.541 -7.920 223 H LEU 29 H LEU 29 65.322 3.178 -7.900 224 HA LEU 29 HA LEU 29 66.105 2.987 -10.560 225 1HB LEU 29 1HB LEU 29 64.670 4.762 -8.864 226 2HB LEU 29 2HB LEU 29 65.740 5.754 -9.855 227 HG LEU 29 HG LEU 29 64.080 3.556 -11.081 228 1HD1 LEU 29 1HD1 LEU 29 63.273 6.448 -10.642 229 2HD1 LEU 29 2HD1 LEU 29 62.386 5.278 -11.620 230 3HD1 LEU 29 3HD1 LEU 29 62.530 5.043 -9.878 231 1HD2 LEU 29 1HD2 LEU 29 66.003 4.657 -12.311 232 2HD2 LEU 29 2HD2 LEU 29 64.440 4.812 -13.112 233 3HD2 LEU 29 3HD2 LEU 29 65.108 6.175 -12.213 234 H GLY 30 H GLY 30 68.391 2.635 -10.775 235 1HA GLY 30 1HA GLY 30 70.263 4.075 -11.659 236 2HA GLY 30 2HA GLY 30 70.066 5.049 -10.202 237 H ALA 31 H ALA 31 69.545 1.891 -9.325 238 HA ALA 31 HA ALA 31 72.157 1.724 -7.995 239 1HB ALA 31 1HB ALA 31 69.571 0.938 -7.463 240 2HB ALA 31 2HB ALA 31 70.326 -0.586 -7.933 241 3HB ALA 31 3HB ALA 31 70.992 0.354 -6.597 242 H GLU 32 H GLU 32 73.285 -0.513 -8.087 243 HA GLU 32 HA GLU 32 73.412 -1.413 -10.947 244 1HB GLU 32 1HB GLU 32 75.505 -1.337 -8.747 245 2HB GLU 32 2HB GLU 32 75.788 -1.904 -10.394 246 1HG GLU 32 1HG GLU 32 75.379 0.271 -11.310 247 2HG GLU 32 2HG GLU 32 74.743 0.868 -9.777 248 H ASP 33 H ASP 33 73.821 -2.535 -7.571 249 HA ASP 33 HA ASP 33 73.657 -5.356 -8.392 250 1HB ASP 33 1HB ASP 33 75.021 -4.185 -6.487 251 2HB ASP 33 2HB ASP 33 73.512 -4.286 -5.580 252 H GLY 34 H GLY 34 71.538 -2.893 -7.022 253 1HA GLY 34 1HA GLY 34 69.098 -3.203 -7.463 254 2HA GLY 34 2HA GLY 34 69.321 -4.905 -7.053 255 H CYS 35 H CYS 35 70.742 -2.170 -5.322 256 HA CYS 35 HA CYS 35 69.137 -2.981 -2.919 257 1HB CYS 35 1HB CYS 35 71.927 -1.857 -3.291 258 2HB CYS 35 2HB CYS 35 71.145 -1.963 -1.715 259 HG CYS 35 HG CYS 35 70.925 -4.667 -2.845 260 H ILE 36 H ILE 36 69.073 -0.976 -1.310 261 HA ILE 36 HA ILE 36 68.429 1.472 -2.922 262 HB ILE 36 HB ILE 36 67.035 0.411 -0.449 263 1HG1 ILE 36 1HG1 ILE 36 65.904 0.413 -3.245 264 2HG1 ILE 36 2HG1 ILE 36 66.881 -0.941 -2.675 265 1HG2 ILE 36 1HG2 ILE 36 66.975 2.922 -1.895 266 2HG2 ILE 36 2HG2 ILE 36 65.396 2.134 -1.966 267 3HG2 ILE 36 3HG2 ILE 36 66.140 2.476 -0.404 268 1HD1 ILE 36 1HD1 ILE 36 64.898 -0.155 -0.695 269 2HD1 ILE 36 2HD1 ILE 36 64.142 -0.574 -2.233 270 3HD1 ILE 36 3HD1 ILE 36 65.187 -1.738 -1.416 271 H SER 37 H SER 37 68.739 3.484 -1.817 272 HA SER 37 HA SER 37 70.006 3.529 0.838 273 1HB SER 37 1HB SER 37 71.935 3.002 -0.467 274 2HB SER 37 2HB SER 37 71.434 4.072 -1.773 275 HG SER 37 HG SER 37 72.293 4.788 0.838 276 H THR 38 H THR 38 70.349 5.862 1.507 277 HA THR 38 HA THR 38 68.172 7.539 1.120 278 HB THR 38 HB THR 38 69.731 9.339 1.836 279 HG1 THR 38 HG1 THR 38 71.429 8.147 0.400 280 1HG2 THR 38 1HG2 THR 38 69.115 7.010 3.190 281 2HG2 THR 38 2HG2 THR 38 70.865 7.121 3.378 282 3HG2 THR 38 3HG2 THR 38 69.835 8.450 3.912 283 H LYS 39 H LYS 39 70.857 6.968 -1.065 284 HA LYS 39 HA LYS 39 70.388 9.274 -2.776 285 1HB LYS 39 1HB LYS 39 72.331 7.311 -2.396 286 2HB LYS 39 2HB LYS 39 71.657 6.928 -3.980 287 1HG LYS 39 1HG LYS 39 72.277 8.983 -4.894 288 2HG LYS 39 2HG LYS 39 72.340 9.777 -3.319 289 1HD LYS 39 1HD LYS 39 74.509 9.224 -3.023 290 2HD LYS 39 2HD LYS 39 74.220 7.551 -3.499 291 1HE LYS 39 1HE LYS 39 74.113 9.541 -5.706 292 2HE LYS 39 2HE LYS 39 75.714 9.246 -4.997 293 1HZ LYS 39 1HZ LYS 39 75.200 6.829 -5.152 294 2HZ LYS 39 2HZ LYS 39 73.818 7.221 -6.054 295 3HZ LYS 39 3HZ LYS 39 75.360 7.596 -6.660 296 H GLU 40 H GLU 40 69.376 5.849 -2.788 297 HA GLU 40 HA GLU 40 67.827 6.272 -5.287 298 1HB GLU 40 1HB GLU 40 68.018 3.799 -3.547 299 2HB GLU 40 2HB GLU 40 67.658 3.885 -5.272 300 1HG GLU 40 1HG GLU 40 70.300 4.652 -4.000 301 2HG GLU 40 2HG GLU 40 69.985 3.150 -4.871 302 H LEU 41 H LEU 41 67.418 5.717 -1.829 303 HA LEU 41 HA LEU 41 64.525 5.411 -1.910 304 1HB LEU 41 1HB LEU 41 66.293 4.634 -0.177 305 2HB LEU 41 2HB LEU 41 66.231 6.289 0.427 306 HG LEU 41 HG LEU 41 64.666 4.965 1.712 307 1HD1 LEU 41 1HD1 LEU 41 64.025 7.294 0.829 308 2HD1 LEU 41 2HD1 LEU 41 62.985 6.439 -0.315 309 3HD1 LEU 41 3HD1 LEU 41 62.711 6.275 1.421 310 1HD2 LEU 41 1HD2 LEU 41 64.420 3.163 -0.016 311 2HD2 LEU 41 2HD2 LEU 41 62.884 3.687 0.673 312 3HD2 LEU 41 3HD2 LEU 41 63.364 4.243 -0.930 313 H GLY 42 H GLY 42 66.613 8.020 -0.591 314 1HA GLY 42 1HA GLY 42 64.655 9.945 -0.118 315 2HA GLY 42 2HA GLY 42 66.296 10.354 -0.624 316 H LYS 43 H LYS 43 66.025 8.926 -3.196 317 HA LYS 43 HA LYS 43 65.175 11.042 -4.878 318 1HB LYS 43 1HB LYS 43 66.286 8.462 -5.066 319 2HB LYS 43 2HB LYS 43 64.826 8.407 -6.054 320 1HG LYS 43 1HG LYS 43 65.790 10.795 -6.847 321 2HG LYS 43 2HG LYS 43 67.308 10.000 -6.435 322 1HD LYS 43 1HD LYS 43 65.956 8.031 -7.814 323 2HD LYS 43 2HD LYS 43 65.480 9.498 -8.670 324 1HE LYS 43 1HE LYS 43 68.325 8.584 -8.112 325 2HE LYS 43 2HE LYS 43 67.529 8.674 -9.696 326 1HZ LYS 43 1HZ LYS 43 67.118 11.067 -9.217 327 2HZ LYS 43 2HZ LYS 43 68.119 10.926 -7.852 328 3HZ LYS 43 3HZ LYS 43 68.761 10.679 -9.401 329 H VAL 44 H VAL 44 63.353 8.525 -3.282 330 HA VAL 44 HA VAL 44 60.943 8.878 -4.933 331 HB VAL 44 HB VAL 44 61.716 7.340 -2.444 332 1HG1 VAL 44 1HG1 VAL 44 59.088 8.176 -3.204 333 2HG1 VAL 44 2HG1 VAL 44 59.218 6.442 -3.498 334 3HG1 VAL 44 3HG1 VAL 44 59.550 7.092 -1.893 335 1HG2 VAL 44 1HG2 VAL 44 61.541 6.840 -5.338 336 2HG2 VAL 44 2HG2 VAL 44 62.465 5.984 -4.104 337 3HG2 VAL 44 3HG2 VAL 44 60.763 5.598 -4.358 338 H MET 45 H MET 45 62.147 9.871 -1.748 339 HA MET 45 HA MET 45 59.878 10.895 -0.506 340 1HB MET 45 1HB MET 45 62.777 11.560 -0.641 341 2HB MET 45 2HB MET 45 61.727 12.749 0.128 342 1HG MET 45 1HG MET 45 62.674 11.020 1.712 343 2HG MET 45 2HG MET 45 60.914 11.120 1.709 344 1HE MET 45 1HE MET 45 59.462 9.896 1.073 345 2HE MET 45 2HE MET 45 59.498 8.695 -0.228 346 3HE MET 45 3HE MET 45 59.616 8.182 1.455 347 H ARG 46 H ARG 46 62.044 12.890 -2.562 348 HA ARG 46 HA ARG 46 60.537 15.209 -2.749 349 1HB ARG 46 1HB ARG 46 61.567 15.374 -5.051 350 2HB ARG 46 2HB ARG 46 62.716 14.912 -3.795 351 1HG ARG 46 1HG ARG 46 62.219 12.489 -4.413 352 2HG ARG 46 2HG ARG 46 61.381 13.118 -5.830 353 1HD ARG 46 1HD ARG 46 63.679 14.501 -6.078 354 2HD ARG 46 2HD ARG 46 64.301 13.068 -5.234 355 HE ARG 46 HE ARG 46 62.611 12.019 -7.164 356 1HH1 ARG 46 1HH1 ARG 46 65.383 14.074 -7.060 357 2HH1 ARG 46 2HH1 ARG 46 65.890 13.687 -8.670 358 1HH2 ARG 46 1HH2 ARG 46 63.221 11.564 -9.291 359 2HH2 ARG 46 2HH2 ARG 46 64.669 12.268 -9.932 360 H MET 47 H MET 47 60.006 12.155 -4.483 361 HA MET 47 HA MET 47 57.777 13.197 -6.060 362 1HB MET 47 1HB MET 47 58.984 10.489 -5.485 363 2HB MET 47 2HB MET 47 57.554 10.673 -6.500 364 1HG MET 47 1HG MET 47 58.950 12.437 -7.791 365 2HG MET 47 2HG MET 47 60.342 11.716 -6.983 366 1HE MET 47 1HE MET 47 59.846 9.161 -6.437 367 2HE MET 47 2HE MET 47 59.735 7.970 -7.732 368 3HE MET 47 3HE MET 47 61.173 8.980 -7.593 369 H LEU 48 H LEU 48 58.211 11.531 -2.991 370 HA LEU 48 HA LEU 48 55.509 10.663 -2.571 371 1HB LEU 48 1HB LEU 48 58.044 10.863 -1.187 372 2HB LEU 48 2HB LEU 48 56.731 11.323 -0.105 373 HG LEU 48 HG LEU 48 57.342 8.824 -0.199 374 1HD1 LEU 48 1HD1 LEU 48 55.253 9.698 0.787 375 2HD1 LEU 48 2HD1 LEU 48 54.494 9.675 -0.804 376 3HD1 LEU 48 3HD1 LEU 48 54.976 8.162 -0.034 377 1HD2 LEU 48 1HD2 LEU 48 57.207 9.152 -2.887 378 2HD2 LEU 48 2HD2 LEU 48 56.934 7.600 -2.095 379 3HD2 LEU 48 3HD2 LEU 48 55.562 8.602 -2.569 380 H GLY 49 H GLY 49 56.919 13.792 -2.625 381 1HA GLY 49 1HA GLY 49 55.382 15.727 -2.644 382 2HA GLY 49 2HA GLY 49 54.443 14.919 -1.389 383 H GLN 50 H GLN 50 57.770 14.517 -0.884 384 HA GLN 50 HA GLN 50 57.976 16.975 0.798 385 1HB GLN 50 1HB GLN 50 58.547 14.175 1.805 386 2HB GLN 50 2HB GLN 50 58.468 15.660 2.753 387 1HG GLN 50 1HG GLN 50 56.012 15.750 1.692 388 2HG GLN 50 2HG GLN 50 56.253 14.003 1.638 389 1HE2 GLN 50 2HE2 GLN 50 54.349 15.314 3.417 390 2HE2 GLN 50 1HE2 GLN 50 54.863 15.023 5.008 391 H ASN 51 H ASN 51 60.270 17.177 1.672 392 HA ASN 51 HA ASN 51 62.294 15.743 0.012 393 1HB ASN 51 1HB ASN 51 63.338 18.128 -0.224 394 2HB ASN 51 2HB ASN 51 61.973 17.705 -1.256 395 1HD2 ASN 51 2HD2 ASN 51 62.611 19.205 1.969 396 2HD2 ASN 51 1HD2 ASN 51 61.330 20.314 1.866 397 HA PRO 52 HA PRO 52 63.428 16.354 4.498 398 1HB PRO 52 1HB PRO 52 63.807 13.708 5.081 399 2HB PRO 52 2HB PRO 52 62.232 14.513 5.235 400 1HG PRO 52 1HG PRO 52 63.246 12.737 3.077 401 2HG PRO 52 2HG PRO 52 61.626 12.849 3.781 402 1HD PRO 52 1HD PRO 52 62.319 13.949 1.377 403 2HD PRO 52 2HD PRO 52 61.004 14.562 2.403 404 H THR 53 H THR 53 65.614 16.302 5.226 405 HA THR 53 HA THR 53 67.713 16.275 3.360 406 HB THR 53 HB THR 53 68.878 15.526 5.753 407 HG1 THR 53 HG1 THR 53 67.567 16.061 7.358 408 1HG2 THR 53 1HG2 THR 53 68.370 17.915 4.250 409 2HG2 THR 53 2HG2 THR 53 68.173 18.271 5.966 410 3HG2 THR 53 3HG2 THR 53 69.687 17.585 5.376 411 HA PRO 54 HA PRO 54 68.781 12.076 2.665 412 1HB PRO 54 1HB PRO 54 71.501 12.030 2.962 413 2HB PRO 54 2HB PRO 54 70.693 12.797 1.580 414 1HG PRO 54 1HG PRO 54 71.847 14.038 4.025 415 2HG PRO 54 2HG PRO 54 71.864 14.613 2.351 416 1HD PRO 54 1HD PRO 54 70.172 15.577 4.265 417 2HD PRO 54 2HD PRO 54 69.802 15.584 2.526 418 H GLU 55 H GLU 55 70.067 13.482 5.641 419 HA GLU 55 HA GLU 55 70.596 10.873 6.883 420 1HB GLU 55 1HB GLU 55 71.391 13.529 7.206 421 2HB GLU 55 2HB GLU 55 70.395 13.212 8.626 422 1HG GLU 55 1HG GLU 55 71.783 10.968 8.721 423 2HG GLU 55 2HG GLU 55 72.948 11.891 7.770 424 H GLU 56 H GLU 56 67.909 13.051 6.575 425 HA GLU 56 HA GLU 56 66.487 12.177 8.971 426 1HB GLU 56 1HB GLU 56 66.379 14.265 7.143 427 2HB GLU 56 2HB GLU 56 64.931 13.330 6.768 428 1HG GLU 56 1HG GLU 56 64.298 14.900 8.468 429 2HG GLU 56 2HG GLU 56 64.426 13.330 9.261 430 H LEU 57 H LEU 57 66.021 11.601 5.447 431 HA LEU 57 HA LEU 57 63.953 9.620 5.880 432 1HB LEU 57 1HB LEU 57 63.771 9.790 3.600 433 2HB LEU 57 2HB LEU 57 64.700 11.254 3.890 434 HG LEU 57 HG LEU 57 65.793 10.167 2.106 435 1HD1 LEU 57 1HD1 LEU 57 67.112 10.336 4.628 436 2HD1 LEU 57 2HD1 LEU 57 67.717 8.919 3.782 437 3HD1 LEU 57 3HD1 LEU 57 67.801 10.505 3.017 438 1HD2 LEU 57 1HD2 LEU 57 64.714 7.835 3.300 439 2HD2 LEU 57 2HD2 LEU 57 65.522 7.967 1.738 440 3HD2 LEU 57 3HD2 LEU 57 66.458 7.593 3.186 441 H GLN 58 H GLN 58 67.292 9.496 6.315 442 HA GLN 58 HA GLN 58 67.982 6.907 5.300 443 1HB GLN 58 1HB GLN 58 69.281 8.961 6.452 444 2HB GLN 58 2HB GLN 58 69.125 7.919 7.867 445 1HG GLN 58 1HG GLN 58 70.028 6.651 5.323 446 2HG GLN 58 2HG GLN 58 71.181 7.682 6.171 447 1HE2 GLN 58 2HE2 GLN 58 71.253 4.697 5.901 448 2HE2 GLN 58 1HE2 GLN 58 71.238 4.094 7.489 449 H GLU 59 H GLU 59 66.299 7.950 8.213 450 HA GLU 59 HA GLU 59 66.491 5.755 9.917 451 1HB GLU 59 1HB GLU 59 65.052 8.049 9.780 452 2HB GLU 59 2HB GLU 59 63.779 6.876 9.442 453 1HG GLU 59 1HG GLU 59 63.643 6.629 11.688 454 2HG GLU 59 2HG GLU 59 65.136 5.701 11.542 455 H MET 60 H MET 60 64.177 6.127 7.204 456 HA MET 60 HA MET 60 62.811 3.678 7.446 457 1HB MET 60 1HB MET 60 63.324 5.750 5.460 458 2HB MET 60 2HB MET 60 63.132 4.166 4.707 459 1HG MET 60 1HG MET 60 60.905 4.458 4.920 460 2HG MET 60 2HG MET 60 61.132 4.246 6.657 461 1HE MET 60 1HE MET 60 60.494 6.156 3.748 462 2HE MET 60 2HE MET 60 59.994 7.776 4.229 463 3HE MET 60 3HE MET 60 61.707 7.416 3.967 464 H ILE 61 H ILE 61 65.944 4.357 5.895 465 HA ILE 61 HA ILE 61 66.287 1.703 4.793 466 HB ILE 61 HB ILE 61 68.048 4.079 5.401 467 1HG1 ILE 61 1HG1 ILE 61 68.220 3.626 2.748 468 2HG1 ILE 61 2HG1 ILE 61 66.641 2.901 3.057 469 1HG2 ILE 61 1HG2 ILE 61 68.926 1.366 5.113 470 2HG2 ILE 61 2HG2 ILE 61 69.377 2.251 3.656 471 3HG2 ILE 61 3HG2 ILE 61 69.908 2.825 5.237 472 1HD1 ILE 61 1HD1 ILE 61 67.376 5.655 4.061 473 2HD1 ILE 61 2HD1 ILE 61 66.636 5.395 2.483 474 3HD1 ILE 61 3HD1 ILE 61 65.771 4.933 3.949 475 H ASP 62 H ASP 62 67.074 3.228 7.884 476 HA ASP 62 HA ASP 62 68.689 0.940 8.798 477 1HB ASP 62 1HB ASP 62 69.115 3.346 9.368 478 2HB ASP 62 2HB ASP 62 67.600 3.361 10.271 479 H GLU 63 H GLU 63 65.413 2.218 9.268 480 HA GLU 63 HA GLU 63 64.549 0.762 11.504 481 1HB GLU 63 1HB GLU 63 63.372 1.914 9.033 482 2HB GLU 63 2HB GLU 63 62.366 0.741 9.883 483 1HG GLU 63 1HG GLU 63 63.725 2.977 11.379 484 2HG GLU 63 2HG GLU 63 62.174 3.236 10.579 485 H VAL 64 H VAL 64 65.258 -0.400 8.269 486 HA VAL 64 HA VAL 64 64.474 -3.157 9.158 487 HB VAL 64 HB VAL 64 63.792 -3.489 6.758 488 1HG1 VAL 64 1HG1 VAL 64 62.449 -2.140 8.834 489 2HG1 VAL 64 2HG1 VAL 64 62.108 -1.213 7.374 490 3HG1 VAL 64 3HG1 VAL 64 61.718 -2.931 7.438 491 1HG2 VAL 64 1HG2 VAL 64 65.257 -1.613 5.908 492 2HG2 VAL 64 2HG2 VAL 64 63.601 -1.565 5.302 493 3HG2 VAL 64 3HG2 VAL 64 64.098 -0.476 6.597 494 H ASP 65 H ASP 65 67.130 -1.900 9.276 495 HA ASP 65 HA ASP 65 68.554 -3.574 7.230 496 1HB ASP 65 1HB ASP 65 68.677 -0.761 7.942 497 2HB ASP 65 2HB ASP 65 70.255 -1.525 8.140 498 H GLU 66 H GLU 66 68.618 -5.348 8.808 499 HA GLU 66 HA GLU 66 70.034 -4.882 11.362 500 1HB GLU 66 1HB GLU 66 68.093 -6.364 11.273 501 2HB GLU 66 2HB GLU 66 68.850 -7.324 10.002 502 1HG GLU 66 1HG GLU 66 70.078 -8.499 11.490 503 2HG GLU 66 2HG GLU 66 70.578 -7.035 12.338 504 H ASP 67 H ASP 67 71.411 -4.569 8.684 505 HA ASP 67 HA ASP 67 73.556 -6.632 9.095 506 1HB ASP 67 1HB ASP 67 72.943 -5.275 6.471 507 2HB ASP 67 2HB ASP 67 73.735 -6.826 6.749 508 H GLY 68 H GLY 68 72.733 -3.267 8.610 509 1HA GLY 68 1HA GLY 68 74.090 -1.393 9.141 510 2HA GLY 68 2HA GLY 68 75.460 -2.483 9.362 511 H SER 69 H SER 69 73.800 -3.102 6.473 512 HA SER 69 HA SER 69 76.059 -2.235 4.854 513 1HB SER 69 1HB SER 69 74.663 -3.171 3.046 514 2HB SER 69 2HB SER 69 74.671 -4.251 4.438 515 HG SER 69 HG SER 69 72.590 -3.223 3.249 516 H GLY 70 H GLY 70 73.436 -0.565 6.152 517 1HA GLY 70 1HA GLY 70 72.569 1.573 5.729 518 2HA GLY 70 2HA GLY 70 73.991 1.844 4.719 519 H THR 71 H THR 71 72.102 -0.906 3.892 520 HA THR 71 HA THR 71 70.644 0.639 1.787 521 HB THR 71 HB THR 71 71.393 -1.285 0.243 522 HG1 THR 71 HG1 THR 71 72.529 -2.751 1.187 523 1HG2 THR 71 1HG2 THR 71 72.984 0.987 1.292 524 2HG2 THR 71 2HG2 THR 71 73.877 -0.210 0.353 525 3HG2 THR 71 3HG2 THR 71 72.496 0.620 -0.364 526 H VAL 72 H VAL 72 68.937 -0.770 0.733 527 HA VAL 72 HA VAL 72 67.891 -2.821 2.660 528 HB VAL 72 HB VAL 72 66.558 -0.602 1.090 529 1HG1 VAL 72 1HG1 VAL 72 65.288 -2.752 0.841 530 2HG1 VAL 72 2HG1 VAL 72 65.183 -2.848 2.599 531 3HG1 VAL 72 3HG1 VAL 72 64.400 -1.521 1.740 532 1HG2 VAL 72 1HG2 VAL 72 66.622 -1.393 4.022 533 2HG2 VAL 72 2HG2 VAL 72 67.422 0.002 3.297 534 3HG2 VAL 72 3HG2 VAL 72 65.661 -0.068 3.364 535 H ASP 73 H ASP 73 67.026 -4.709 1.716 536 HA ASP 73 HA ASP 73 67.386 -4.958 -1.254 537 1HB ASP 73 1HB ASP 73 68.598 -6.306 0.828 538 2HB ASP 73 2HB ASP 73 67.285 -7.399 0.386 539 H PHE 74 H PHE 74 65.966 -7.003 -1.994 540 HA PHE 74 HA PHE 74 63.215 -6.258 -1.757 541 1HB PHE 74 1HB PHE 74 64.208 -7.474 -3.654 542 2HB PHE 74 2HB PHE 74 64.544 -8.854 -2.606 543 HD1 PHE 74 HD1 PHE 74 61.854 -6.840 -4.175 544 HD2 PHE 74 HD2 PHE 74 62.810 -10.391 -1.955 545 HE1 PHE 74 HE1 PHE 74 59.570 -7.712 -4.588 546 HE2 PHE 74 HE2 PHE 74 60.524 -11.263 -2.367 547 HZ PHE 74 HZ PHE 74 58.905 -9.923 -3.683 548 H ASP 75 H ASP 75 65.236 -8.001 0.387 549 HA ASP 75 HA ASP 75 63.013 -9.558 1.579 550 1HB ASP 75 1HB ASP 75 64.741 -10.692 2.724 551 2HB ASP 75 2HB ASP 75 65.488 -10.272 1.183 552 H GLU 76 H GLU 76 65.070 -6.761 2.313 553 HA GLU 76 HA GLU 76 63.952 -6.403 5.004 554 1HB GLU 76 1HB GLU 76 65.870 -4.996 3.160 555 2HB GLU 76 2HB GLU 76 65.278 -4.159 4.594 556 1HG GLU 76 1HG GLU 76 66.068 -5.997 6.018 557 2HG GLU 76 2HG GLU 76 66.629 -6.875 4.594 558 H PHE 77 H PHE 77 63.273 -5.291 1.755 559 HA PHE 77 HA PHE 77 61.712 -2.956 2.460 560 1HB PHE 77 1HB PHE 77 62.749 -3.308 0.267 561 2HB PHE 77 2HB PHE 77 61.790 -4.766 0.023 562 HD1 PHE 77 HD1 PHE 77 61.550 -1.079 0.510 563 HD2 PHE 77 HD2 PHE 77 59.575 -4.653 -0.820 564 HE1 PHE 77 HE1 PHE 77 59.709 0.290 -0.430 565 HE2 PHE 77 HE2 PHE 77 57.733 -3.285 -1.761 566 HZ PHE 77 HZ PHE 77 57.800 -0.813 -1.566 567 H LEU 78 H LEU 78 60.744 -6.243 1.372 568 HA LEU 78 HA LEU 78 57.984 -6.070 1.529 569 1HB LEU 78 1HB LEU 78 60.047 -8.150 2.070 570 2HB LEU 78 2HB LEU 78 58.402 -8.516 2.593 571 HG LEU 78 HG LEU 78 58.962 -7.468 -0.179 572 1HD1 LEU 78 1HD1 LEU 78 59.791 -9.998 0.900 573 2HD1 LEU 78 2HD1 LEU 78 58.482 -10.271 -0.250 574 3HD1 LEU 78 3HD1 LEU 78 59.937 -9.411 -0.756 575 1HD2 LEU 78 1HD2 LEU 78 56.648 -8.159 1.337 576 2HD2 LEU 78 2HD2 LEU 78 56.723 -7.658 -0.353 577 3HD2 LEU 78 3HD2 LEU 78 56.824 -9.369 0.065 578 H VAL 79 H VAL 79 60.272 -6.331 4.229 579 HA VAL 79 HA VAL 79 58.230 -6.602 6.282 580 HB VAL 79 HB VAL 79 61.158 -5.796 6.298 581 1HG1 VAL 79 1HG1 VAL 79 59.139 -6.165 8.477 582 2HG1 VAL 79 2HG1 VAL 79 60.787 -6.725 8.764 583 3HG1 VAL 79 3HG1 VAL 79 60.486 -5.031 8.379 584 1HG2 VAL 79 1HG2 VAL 79 60.656 -8.085 5.465 585 2HG2 VAL 79 2HG2 VAL 79 61.512 -8.122 7.007 586 3HG2 VAL 79 3HG2 VAL 79 59.775 -8.418 6.957 587 H MET 80 H MET 80 60.431 -3.898 5.410 588 HA MET 80 HA MET 80 59.442 -1.893 7.068 589 1HB MET 80 1HB MET 80 61.327 -1.913 5.311 590 2HB MET 80 2HB MET 80 60.080 -1.485 4.139 591 1HG MET 80 1HG MET 80 59.678 0.595 5.127 592 2HG MET 80 2HG MET 80 60.334 0.092 6.685 593 1HE MET 80 1HE MET 80 60.524 1.841 3.722 594 2HE MET 80 2HE MET 80 62.178 2.385 3.451 595 3HE MET 80 3HE MET 80 61.634 0.834 2.797 596 H MET 81 H MET 81 58.001 -3.144 4.076 597 HA MET 81 HA MET 81 55.933 -1.119 3.876 598 1HB MET 81 1HB MET 81 56.443 -3.872 2.739 599 2HB MET 81 2HB MET 81 54.956 -2.998 2.370 600 1HG MET 81 1HG MET 81 57.557 -1.555 2.055 601 2HG MET 81 2HG MET 81 57.103 -2.738 0.828 602 1HE MET 81 1HE MET 81 56.694 0.577 2.414 603 2HE MET 81 2HE MET 81 57.413 0.682 0.800 604 3HE MET 81 3HE MET 81 55.882 1.485 1.140 605 H VAL 82 H VAL 82 56.001 -4.478 5.108 606 HA VAL 82 HA VAL 82 53.312 -4.780 5.871 607 HB VAL 82 HB VAL 82 55.791 -5.657 7.388 608 1HG1 VAL 82 1HG1 VAL 82 52.951 -6.670 7.200 609 2HG1 VAL 82 2HG1 VAL 82 54.272 -7.701 7.751 610 3HG1 VAL 82 3HG1 VAL 82 53.862 -6.239 8.647 611 1HG2 VAL 82 1HG2 VAL 82 55.178 -6.102 4.690 612 2HG2 VAL 82 2HG2 VAL 82 56.330 -7.012 5.667 613 3HG2 VAL 82 3HG2 VAL 82 54.666 -7.575 5.513 614 H ARG 83 H ARG 83 55.987 -3.233 7.638 615 HA ARG 83 HA ARG 83 54.747 -2.692 10.100 616 1HB ARG 83 1HB ARG 83 56.604 -0.949 8.446 617 2HB ARG 83 2HB ARG 83 56.374 -0.831 10.191 618 1HG ARG 83 1HG ARG 83 56.962 -3.443 10.045 619 2HG ARG 83 2HG ARG 83 57.827 -2.895 8.608 620 1HD ARG 83 1HD ARG 83 58.138 -1.499 11.278 621 2HD ARG 83 2HD ARG 83 59.177 -2.852 10.789 622 HE ARG 83 HE ARG 83 60.038 -1.499 8.986 623 1HH1 ARG 83 1HH2 ARG 83 59.842 0.483 11.346 624 2HH1 ARG 83 2HH2 ARG 83 59.187 1.868 10.538 625 1HH2 ARG 83 1HH1 ARG 83 58.218 0.096 7.719 626 2HH2 ARG 83 2HH1 ARG 83 58.267 1.649 8.487 627 H CYS 84 H CYS 84 54.331 -1.081 6.981 628 HA CYS 84 HA CYS 84 52.369 0.800 8.248 629 1HB CYS 84 1HB CYS 84 52.869 2.215 6.281 630 2HB CYS 84 2HB CYS 84 54.350 1.793 7.142 631 HG CYS 84 HG CYS 84 55.152 0.645 5.105 632 H MET 85 H MET 85 51.217 -1.601 7.894 633 HA MET 85 HA MET 85 50.127 -1.937 5.185 634 1HB MET 85 1HB MET 85 50.081 -3.292 7.833 635 2HB MET 85 2HB MET 85 48.689 -3.580 6.790 636 1HG MET 85 1HG MET 85 51.348 -3.743 5.482 637 2HG MET 85 2HG MET 85 50.971 -5.027 6.631 638 1HE MET 85 1HE MET 85 50.538 -3.188 3.689 639 2HE MET 85 2HE MET 85 49.921 -4.340 2.507 640 3HE MET 85 3HE MET 85 48.806 -3.252 3.331 641 H LYS 86 H LYS 86 47.476 -2.477 5.563 642 HA LYS 86 HA LYS 86 46.259 0.125 5.735 643 1HB LYS 86 1HB LYS 86 45.637 -2.400 4.788 644 2HB LYS 86 2HB LYS 86 44.530 -2.217 6.149 645 1HG LYS 86 1HG LYS 86 43.458 -0.377 5.207 646 2HG LYS 86 2HG LYS 86 44.853 0.055 4.217 647 1HD LYS 86 1HD LYS 86 44.433 -2.184 2.992 648 2HD LYS 86 2HD LYS 86 42.847 -2.152 3.764 649 1HE LYS 86 1HE LYS 86 42.462 0.127 2.786 650 2HE LYS 86 2HE LYS 86 43.998 -0.036 1.911 651 1HZ LYS 86 1HZ LYS 86 43.190 -2.101 0.946 652 2HZ LYS 86 2HZ LYS 86 41.711 -1.931 1.764 653 3HZ LYS 86 3HZ LYS 86 42.149 -0.821 0.557 654 H ASP 87 H ASP 87 47.421 0.393 8.022 655 HA ASP 87 HA ASP 87 46.366 -0.880 10.350 656 1HB ASP 87 1HB ASP 87 47.884 1.582 9.632 657 2HB ASP 87 2HB ASP 87 47.164 1.536 11.241 658 H ASP 88 H ASP 88 44.970 0.224 12.003 659 HA ASP 88 HA ASP 88 42.944 2.069 10.798 660 1HB ASP 88 1HB ASP 88 42.700 -0.706 11.665 661 2HB ASP 88 2HB ASP 88 41.568 0.344 12.520 662 H SER 89 H SER 89 44.257 0.606 13.778 663 HA SER 89 HA SER 89 43.234 2.942 15.335 664 1HB SER 89 1HB SER 89 44.327 1.098 17.088 665 2HB SER 89 2HB SER 89 42.628 1.176 16.628 666 HG SER 89 HG SER 89 44.014 -0.865 16.297 667 1H ARG 1 1H ARG 1 57.445 10.184 8.716 668 2H ARG 1 2H ARG 1 57.544 9.622 10.316 669 3H ARG 1 3H ARG 1 58.645 9.063 9.153 670 HA ARG 1 HA ARG 1 57.231 7.294 9.100 671 1HB ARG 1 1HB ARG 1 55.991 8.486 10.977 672 2HB ARG 1 2HB ARG 1 54.983 9.226 9.732 673 1HG ARG 1 1HG ARG 1 55.296 6.295 9.500 674 2HG ARG 1 2HG ARG 1 54.413 6.839 10.927 675 1HD ARG 1 1HD ARG 1 53.764 7.903 8.167 676 2HD ARG 1 2HD ARG 1 52.995 6.442 8.819 677 HE ARG 1 HE ARG 1 52.901 9.088 10.226 678 1HH1 ARG 1 1HH1 ARG 1 52.063 5.943 10.748 679 2HH1 ARG 1 2HH1 ARG 1 50.363 6.211 10.936 680 1HH2 ARG 1 1HH2 ARG 1 50.489 9.496 9.832 681 2HH2 ARG 1 2HH2 ARG 1 49.471 8.222 10.416 682 H ILE 2 H ILE 2 57.314 6.876 6.896 683 HA ILE 2 HA ILE 2 56.166 8.715 4.931 684 HB ILE 2 HB ILE 2 58.231 7.191 4.749 685 1HG1 ILE 2 1HG1 ILE 2 56.056 7.230 2.640 686 2HG1 ILE 2 2HG1 ILE 2 57.423 8.335 2.794 687 1HG2 ILE 2 1HG2 ILE 2 56.864 5.181 5.596 688 2HG2 ILE 2 2HG2 ILE 2 56.180 5.113 3.972 689 3HG2 ILE 2 3HG2 ILE 2 57.915 4.900 4.208 690 1HD1 ILE 2 1HD1 ILE 2 58.924 6.277 2.516 691 2HD1 ILE 2 2HD1 ILE 2 57.471 5.417 2.006 692 3HD1 ILE 2 3HD1 ILE 2 58.046 6.803 1.078 693 H SER 3 H SER 3 54.203 8.467 3.849 694 HA SER 3 HA SER 3 52.142 6.844 5.082 695 1HB SER 3 1HB SER 3 52.428 8.666 2.708 696 2HB SER 3 2HB SER 3 50.961 7.709 2.888 697 HG SER 3 HG SER 3 51.182 9.930 3.930 698 H ALA 4 H ALA 4 50.700 5.509 3.398 699 HA ALA 4 HA ALA 4 52.546 3.692 1.881 700 1HB ALA 4 1HB ALA 4 50.671 3.277 4.047 701 2HB ALA 4 2HB ALA 4 50.193 2.324 2.641 702 3HB ALA 4 3HB ALA 4 51.803 2.129 3.334 703 H ASP 5 H ASP 5 49.536 5.484 1.905 704 HA ASP 5 HA ASP 5 48.504 4.236 -0.546 705 1HB ASP 5 1HB ASP 5 47.696 6.222 1.496 706 2HB ASP 5 2HB ASP 5 47.042 6.504 -0.119 707 H ALA 6 H ALA 6 49.740 7.491 0.339 708 HA ALA 6 HA ALA 6 49.712 8.522 -2.348 709 1HB ALA 6 1HB ALA 6 51.034 9.220 0.270 710 2HB ALA 6 2HB ALA 6 51.409 10.142 -1.186 711 3HB ALA 6 3HB ALA 6 49.753 10.082 -0.583 712 H MET 7 H MET 7 52.117 6.735 -0.464 713 HA MET 7 HA MET 7 54.462 7.167 -1.928 714 1HB MET 7 1HB MET 7 53.701 5.602 0.120 715 2HB MET 7 2HB MET 7 53.744 4.375 -1.146 716 1HG MET 7 1HG MET 7 56.071 6.084 -1.332 717 2HG MET 7 2HG MET 7 55.940 5.404 0.291 718 1HE MET 7 1HE MET 7 56.504 5.311 -3.110 719 2HE MET 7 2HE MET 7 57.822 4.142 -3.101 720 3HE MET 7 3HE MET 7 56.254 3.685 -3.760 721 H MET 8 H MET 8 51.679 5.131 -2.774 722 HA MET 8 HA MET 8 52.984 4.006 -5.147 723 1HB MET 8 1HB MET 8 50.359 3.870 -3.730 724 2HB MET 8 2HB MET 8 50.384 3.404 -5.432 725 1HG MET 8 1HG MET 8 50.841 1.389 -4.276 726 2HG MET 8 2HG MET 8 52.425 1.950 -4.812 727 1HE MET 8 1HE MET 8 54.153 2.081 -3.756 728 2HE MET 8 2HE MET 8 54.112 3.547 -2.781 729 3HE MET 8 3HE MET 8 54.502 1.993 -2.032 730 H GLN 9 H GLN 9 50.571 6.527 -4.450 731 HA GLN 9 HA GLN 9 50.187 7.156 -7.298 732 1HB GLN 9 1HB GLN 9 48.646 7.322 -5.089 733 2HB GLN 9 2HB GLN 9 49.298 8.960 -5.097 734 1HG GLN 9 1HG GLN 9 47.356 9.145 -6.416 735 2HG GLN 9 2HG GLN 9 48.644 8.977 -7.609 736 1HE2 GLN 9 1HE2 GLN 9 46.531 6.784 -5.656 737 2HE2 GLN 9 2HE2 GLN 9 46.236 5.702 -6.930 738 H ALA 10 H ALA 10 52.562 7.863 -5.025 739 HA ALA 10 HA ALA 10 53.052 10.654 -5.782 740 1HB ALA 10 1HB ALA 10 54.586 8.571 -4.200 741 2HB ALA 10 2HB ALA 10 55.075 10.259 -4.338 742 3HB ALA 10 3HB ALA 10 53.555 9.844 -3.547 743 H LEU 11 H LEU 11 54.605 7.491 -6.436 744 HA LEU 11 HA LEU 11 55.794 8.676 -8.901 745 1HB LEU 11 1HB LEU 11 57.976 7.539 -8.156 746 2HB LEU 11 2HB LEU 11 57.515 8.998 -7.281 747 HG LEU 11 HG LEU 11 56.298 6.649 -6.086 748 1HD1 LEU 11 1HD1 LEU 11 58.563 5.820 -7.164 749 2HD1 LEU 11 2HD1 LEU 11 59.284 6.672 -5.799 750 3HD1 LEU 11 3HD1 LEU 11 58.147 5.354 -5.515 751 1HD2 LEU 11 1HD2 LEU 11 58.225 8.802 -5.170 752 2HD2 LEU 11 2HD2 LEU 11 56.485 8.734 -4.890 753 3HD2 LEU 11 3HD2 LEU 11 57.553 7.582 -4.087 754 H LEU 12 H LEU 12 53.892 6.343 -7.743 755 HA LEU 12 HA LEU 12 55.034 4.223 -9.536 756 1HB LEU 12 1HB LEU 12 53.648 4.211 -6.875 757 2HB LEU 12 2HB LEU 12 53.506 2.798 -7.918 758 HG LEU 12 HG LEU 12 56.088 2.957 -8.128 759 1HD1 LEU 12 1HD1 LEU 12 55.487 4.798 -5.816 760 2HD1 LEU 12 2HD1 LEU 12 57.010 3.910 -5.894 761 3HD1 LEU 12 3HD1 LEU 12 56.589 5.054 -7.169 762 1HD2 LEU 12 1HD2 LEU 12 54.361 1.875 -6.011 763 2HD2 LEU 12 2HD2 LEU 12 55.646 1.086 -6.924 764 3HD2 LEU 12 3HD2 LEU 12 56.042 2.065 -5.511 765 H GLY 13 H GLY 13 53.864 4.799 -11.421 766 1HA GLY 13 1HA GLY 13 50.971 5.263 -11.286 767 2HA GLY 13 2HA GLY 13 51.948 5.220 -12.755 768 H ALA 14 H ALA 14 49.536 3.608 -11.217 769 HA ALA 14 HA ALA 14 50.306 0.843 -11.528 770 1HB ALA 14 1HB ALA 14 48.460 1.828 -10.109 771 2HB ALA 14 2HB ALA 14 47.548 2.104 -11.594 772 3HB ALA 14 3HB ALA 14 47.951 0.460 -11.099 773 H ARG 15 H ARG 15 49.748 3.224 -13.848 774 HA ARG 15 HA ARG 15 48.393 1.535 -15.832 775 1HB ARG 15 1HB ARG 15 49.565 4.302 -15.674 776 2HB ARG 15 2HB ARG 15 49.110 3.631 -17.241 777 1HG ARG 15 1HG ARG 15 46.841 3.091 -16.200 778 2HG ARG 15 2HG ARG 15 47.330 4.109 -14.843 779 1HD ARG 15 1HD ARG 15 47.413 6.060 -16.180 780 2HD ARG 15 2HD ARG 15 47.468 5.126 -17.689 781 HE ARG 15 HE ARG 15 45.067 4.979 -15.914 782 1HH1 ARG 15 1HH1 ARG 15 45.852 3.795 -18.790 783 2HH1 ARG 15 2HH1 ARG 15 44.717 4.687 -19.747 784 1HH2 ARG 15 1HH2 ARG 15 43.920 6.910 -17.208 785 2HH2 ARG 15 2HH2 ARG 15 43.623 6.449 -18.851 786 H ALA 16 H ALA 16 49.448 1.098 -17.965 787 HA ALA 16 HA ALA 16 52.125 -0.032 -17.594 788 1HB ALA 16 1HB ALA 16 49.842 -0.201 -19.404 789 2HB ALA 16 2HB ALA 16 51.371 -0.186 -20.285 790 3HB ALA 16 3HB ALA 16 51.075 -1.412 -19.051 791 H LYS 17 H LYS 17 54.027 0.936 -18.210 792 HA LYS 17 HA LYS 17 54.102 2.947 -20.352 793 1HB LYS 17 1HB LYS 17 53.804 3.620 -17.540 794 2HB LYS 17 2HB LYS 17 55.299 4.294 -18.192 795 1HG LYS 17 1HG LYS 17 54.200 5.680 -19.658 796 2HG LYS 17 2HG LYS 17 52.861 4.552 -19.881 797 1HD LYS 17 1HD LYS 17 52.634 5.219 -17.212 798 2HD LYS 17 2HD LYS 17 53.155 6.738 -17.943 799 1HE LYS 17 1HE LYS 17 50.975 5.164 -19.288 800 2HE LYS 17 2HE LYS 17 50.582 6.164 -17.876 801 1HZ LYS 17 1HZ LYS 17 52.297 7.241 -20.015 802 2HZ LYS 17 2HZ LYS 17 50.609 7.254 -20.209 803 3HZ LYS 17 3HZ LYS 17 51.318 8.076 -18.905 Start of MODEL 6 1 1H MET 1 1H MET 1 58.950 -8.348 21.400 2 2H MET 1 2H MET 1 57.524 -7.757 20.691 3 3H MET 1 3H MET 1 57.527 -8.249 22.317 4 HA MET 1 HA MET 1 57.732 -10.521 21.756 5 1HB MET 1 1HB MET 1 55.692 -8.760 20.812 6 2HB MET 1 2HB MET 1 55.888 -10.037 19.611 7 1HG MET 1 1HG MET 1 54.952 -11.576 20.969 8 2HG MET 1 2HG MET 1 55.970 -11.092 22.325 9 1HE MET 1 1HE MET 1 54.867 -11.295 23.994 10 2HE MET 1 2HE MET 1 53.818 -10.068 24.699 11 3HE MET 1 3HE MET 1 53.118 -11.493 23.917 12 H ASP 2 H ASP 2 57.826 -12.133 19.896 13 HA ASP 2 HA ASP 2 59.636 -11.113 17.729 14 1HB ASP 2 1HB ASP 2 59.638 -13.468 19.554 15 2HB ASP 2 2HB ASP 2 60.225 -13.738 17.912 16 H ASP 3 H ASP 3 59.548 -12.566 15.733 17 HA ASP 3 HA ASP 3 58.301 -13.516 13.968 18 1HB ASP 3 1HB ASP 3 58.170 -15.315 15.680 19 2HB ASP 3 2HB ASP 3 56.710 -14.570 16.331 20 H ILE 4 H ILE 4 57.678 -10.949 14.076 21 HA ILE 4 HA ILE 4 54.677 -10.836 14.094 22 HB ILE 4 HB ILE 4 55.880 -9.597 15.931 23 1HG1 ILE 4 1HG1 ILE 4 54.431 -7.911 13.862 24 2HG1 ILE 4 2HG1 ILE 4 53.677 -8.831 15.165 25 1HG2 ILE 4 1HG2 ILE 4 57.664 -8.966 13.932 26 2HG2 ILE 4 2HG2 ILE 4 56.747 -7.469 14.094 27 3HG2 ILE 4 3HG2 ILE 4 57.575 -8.153 15.493 28 1HD1 ILE 4 1HD1 ILE 4 55.782 -7.057 16.142 29 2HD1 ILE 4 2HD1 ILE 4 54.499 -6.175 15.313 30 3HD1 ILE 4 3HD1 ILE 4 54.111 -7.215 16.684 31 H TYR 5 H TYR 5 57.400 -10.788 12.163 32 HA TYR 5 HA TYR 5 56.149 -8.941 10.159 33 1HB TYR 5 1HB TYR 5 59.003 -9.945 10.424 34 2HB TYR 5 2HB TYR 5 58.435 -8.700 9.312 35 HD1 TYR 5 HD1 TYR 5 57.148 -6.681 10.438 36 HD2 TYR 5 HD2 TYR 5 59.867 -9.296 12.493 37 HE1 TYR 5 HE1 TYR 5 57.479 -4.960 12.192 38 HE2 TYR 5 HE2 TYR 5 60.196 -7.574 14.247 39 HH TYR 5 HH TYR 5 59.016 -4.336 13.887 40 H LYS 6 H LYS 6 58.290 -11.818 10.151 41 HA LYS 6 HA LYS 6 57.882 -12.791 7.603 42 1HB LYS 6 1HB LYS 6 58.332 -13.963 10.302 43 2HB LYS 6 2HB LYS 6 57.874 -15.092 9.027 44 1HG LYS 6 1HG LYS 6 59.910 -13.126 8.211 45 2HG LYS 6 2HG LYS 6 60.440 -14.221 9.488 46 1HD LYS 6 1HD LYS 6 58.958 -15.481 7.249 47 2HD LYS 6 2HD LYS 6 60.557 -14.851 6.852 48 1HE LYS 6 1HE LYS 6 61.378 -16.790 7.713 49 2HE LYS 6 2HE LYS 6 60.926 -16.153 9.306 50 1HZ LYS 6 1HZ LYS 6 58.617 -16.969 8.792 51 2HZ LYS 6 2HZ LYS 6 59.287 -17.825 7.486 52 3HZ LYS 6 3HZ LYS 6 59.772 -18.185 9.071 53 H ALA 7 H ALA 7 55.551 -12.793 10.240 54 HA ALA 7 HA ALA 7 53.705 -14.687 9.039 55 1HB ALA 7 1HB ALA 7 53.819 -12.764 11.313 56 2HB ALA 7 2HB ALA 7 52.213 -13.253 10.769 57 3HB ALA 7 3HB ALA 7 53.370 -14.470 11.310 58 H ALA 8 H ALA 8 53.680 -11.110 9.334 59 HA ALA 8 HA ALA 8 51.321 -10.630 7.828 60 1HB ALA 8 1HB ALA 8 53.813 -9.148 8.574 61 2HB ALA 8 2HB ALA 8 52.745 -8.417 7.376 62 3HB ALA 8 3HB ALA 8 52.136 -8.792 8.988 63 H VAL 9 H VAL 9 54.679 -11.127 6.777 64 HA VAL 9 HA VAL 9 54.395 -10.353 4.048 65 HB VAL 9 HB VAL 9 56.101 -12.559 5.247 66 1HG1 VAL 9 1HG1 VAL 9 55.849 -11.831 2.626 67 2HG1 VAL 9 2HG1 VAL 9 57.142 -10.752 3.150 68 3HG1 VAL 9 3HG1 VAL 9 57.325 -12.497 3.325 69 1HG2 VAL 9 1HG2 VAL 9 56.364 -9.550 5.264 70 2HG2 VAL 9 2HG2 VAL 9 56.490 -10.667 6.622 71 3HG2 VAL 9 3HG2 VAL 9 57.775 -10.597 5.418 72 H GLU 10 H GLU 10 54.184 -13.627 5.505 73 HA GLU 10 HA GLU 10 53.469 -15.065 3.185 74 1HB GLU 10 1HB GLU 10 52.835 -15.338 6.128 75 2HB GLU 10 2HB GLU 10 52.315 -16.553 4.958 76 1HG GLU 10 1HG GLU 10 54.917 -16.265 4.230 77 2HG GLU 10 2HG GLU 10 55.035 -15.942 5.960 78 H GLN 11 H GLN 11 51.601 -12.799 5.048 79 HA GLN 11 HA GLN 11 48.990 -13.736 4.084 80 1HB GLN 11 1HB GLN 11 50.117 -11.928 6.039 81 2HB GLN 11 2HB GLN 11 48.868 -11.099 5.109 82 1HG GLN 11 1HG GLN 11 47.347 -12.135 6.412 83 2HG GLN 11 2HG GLN 11 47.799 -13.638 5.607 84 1HE2 GLN 11 2HE2 GLN 11 48.928 -11.533 8.317 85 2HE2 GLN 11 1HE2 GLN 11 49.447 -12.821 9.293 86 H LEU 12 H LEU 12 51.523 -11.810 2.828 87 HA LEU 12 HA LEU 12 50.262 -9.750 1.399 88 1HB LEU 12 1HB LEU 12 52.586 -11.595 0.825 89 2HB LEU 12 2HB LEU 12 52.171 -10.277 -0.272 90 HG LEU 12 HG LEU 12 52.777 -9.969 2.685 91 1HD1 LEU 12 1HD1 LEU 12 54.455 -10.036 0.296 92 2HD1 LEU 12 2HD1 LEU 12 54.612 -8.514 1.172 93 3HD1 LEU 12 3HD1 LEU 12 54.927 -10.041 1.996 94 1HD2 LEU 12 1HD2 LEU 12 52.053 -8.024 0.483 95 2HD2 LEU 12 2HD2 LEU 12 51.251 -8.247 2.038 96 3HD2 LEU 12 3HD2 LEU 12 52.851 -7.508 1.968 97 H THR 13 H THR 13 49.215 -9.655 -0.635 98 HA THR 13 HA THR 13 47.987 -12.202 -1.540 99 HB THR 13 HB THR 13 46.950 -10.133 -3.044 100 HG1 THR 13 HG1 THR 13 46.654 -8.533 -1.278 101 1HG2 THR 13 1HG2 THR 13 46.225 -11.415 -0.436 102 2HG2 THR 13 2HG2 THR 13 45.256 -10.060 -1.016 103 3HG2 THR 13 3HG2 THR 13 45.410 -11.518 -1.996 104 H GLU 14 H GLU 14 48.399 -13.079 -3.584 105 HA GLU 14 HA GLU 14 50.798 -12.805 -4.922 106 1HB GLU 14 1HB GLU 14 48.761 -14.382 -5.255 107 2HB GLU 14 2HB GLU 14 48.195 -13.171 -6.408 108 1HG GLU 14 1HG GLU 14 49.543 -14.095 -7.956 109 2HG GLU 14 2HG GLU 14 50.927 -13.579 -6.992 110 H GLU 15 H GLU 15 47.851 -10.867 -5.512 111 HA GLU 15 HA GLU 15 48.946 -9.338 -7.699 112 1HB GLU 15 1HB GLU 15 46.575 -9.440 -5.978 113 2HB GLU 15 2HB GLU 15 46.997 -7.795 -6.458 114 1HG GLU 15 1HG GLU 15 47.331 -9.125 -8.820 115 2HG GLU 15 2HG GLU 15 46.004 -10.040 -8.102 116 H GLN 16 H GLN 16 48.789 -8.803 -4.181 117 HA GLN 16 HA GLN 16 49.849 -6.137 -4.172 118 1HB GLN 16 1HB GLN 16 48.739 -6.967 -2.239 119 2HB GLN 16 2HB GLN 16 49.721 -8.433 -2.209 120 1HG GLN 16 1HG GLN 16 51.498 -7.390 -1.202 121 2HG GLN 16 2HG GLN 16 51.186 -5.852 -2.009 122 1HE2 GLN 16 2HE2 GLN 16 51.477 -4.927 0.262 123 2HE2 GLN 16 1HE2 GLN 16 50.138 -4.933 1.306 124 H LYS 17 H LYS 17 51.407 -9.338 -4.023 125 HA LYS 17 HA LYS 17 54.043 -8.653 -3.404 126 1HB LYS 17 1HB LYS 17 52.577 -10.757 -4.799 127 2HB LYS 17 2HB LYS 17 54.203 -10.549 -5.452 128 1HG LYS 17 1HG LYS 17 55.231 -11.097 -3.441 129 2HG LYS 17 2HG LYS 17 53.838 -10.605 -2.477 130 1HD LYS 17 1HD LYS 17 52.583 -12.565 -3.508 131 2HD LYS 17 2HD LYS 17 54.135 -13.112 -4.144 132 1HE LYS 17 1HE LYS 17 54.331 -12.429 -1.312 133 2HE LYS 17 2HE LYS 17 53.127 -13.700 -1.607 134 1HZ LYS 17 1HZ LYS 17 54.951 -14.546 -3.251 135 2HZ LYS 17 2HZ LYS 17 55.997 -13.680 -2.231 136 3HZ LYS 17 3HZ LYS 17 55.041 -14.936 -1.603 137 H ASN 18 H ASN 18 52.372 -8.341 -6.532 138 HA ASN 18 HA ASN 18 54.739 -7.444 -7.973 139 1HB ASN 18 1HB ASN 18 51.753 -7.390 -8.486 140 2HB ASN 18 2HB ASN 18 52.942 -6.860 -9.676 141 1HD2 ASN 18 2HD2 ASN 18 51.081 -9.460 -9.078 142 2HD2 ASN 18 1HD2 ASN 18 52.110 -10.712 -9.581 143 H GLU 19 H GLU 19 52.914 -5.966 -5.598 144 HA GLU 19 HA GLU 19 52.901 -3.259 -6.778 145 1HB GLU 19 1HB GLU 19 51.443 -4.691 -4.855 146 2HB GLU 19 2HB GLU 19 52.330 -3.476 -3.933 147 1HG GLU 19 1HG GLU 19 51.524 -1.862 -5.857 148 2HG GLU 19 2HG GLU 19 50.282 -3.092 -6.092 149 H PHE 20 H PHE 20 54.359 -4.789 -3.865 150 HA PHE 20 HA PHE 20 56.020 -2.568 -3.186 151 1HB PHE 20 1HB PHE 20 56.913 -4.055 -1.602 152 2HB PHE 20 2HB PHE 20 55.328 -4.751 -1.920 153 HD1 PHE 20 HD1 PHE 20 58.955 -5.064 -2.575 154 HD2 PHE 20 HD2 PHE 20 55.085 -6.856 -3.095 155 HE1 PHE 20 HE1 PHE 20 60.031 -7.180 -3.290 156 HE2 PHE 20 HE2 PHE 20 56.163 -8.973 -3.810 157 HZ PHE 20 HZ PHE 20 58.635 -9.135 -3.907 158 H LYS 21 H LYS 21 56.551 -5.312 -5.374 159 HA LYS 21 HA LYS 21 59.351 -4.924 -5.820 160 1HB LYS 21 1HB LYS 21 58.992 -6.438 -7.624 161 2HB LYS 21 2HB LYS 21 57.761 -6.861 -6.435 162 1HG LYS 21 1HG LYS 21 56.419 -6.716 -8.303 163 2HG LYS 21 2HG LYS 21 56.367 -5.026 -7.799 164 1HD LYS 21 1HD LYS 21 58.535 -4.821 -9.275 165 2HD LYS 21 2HD LYS 21 57.921 -6.289 -10.036 166 1HE LYS 21 1HE LYS 21 55.674 -5.024 -10.255 167 2HE LYS 21 2HE LYS 21 56.621 -3.561 -9.918 168 1HZ LYS 21 1HZ LYS 21 58.215 -4.760 -11.657 169 2HZ LYS 21 2HZ LYS 21 56.724 -5.346 -12.221 170 3HZ LYS 21 3HZ LYS 21 57.004 -3.672 -12.133 171 H ALA 22 H ALA 22 56.597 -3.087 -6.806 172 HA ALA 22 HA ALA 22 57.808 -1.895 -9.186 173 1HB ALA 22 1HB ALA 22 55.347 -2.224 -8.707 174 2HB ALA 22 2HB ALA 22 55.478 -0.964 -7.479 175 3HB ALA 22 3HB ALA 22 55.772 -0.578 -9.176 176 H ALA 23 H ALA 23 56.946 -0.587 -5.948 177 HA ALA 23 HA ALA 23 58.174 1.937 -6.194 178 1HB ALA 23 1HB ALA 23 57.619 0.021 -3.936 179 2HB ALA 23 2HB ALA 23 58.453 1.542 -3.611 180 3HB ALA 23 3HB ALA 23 56.831 1.557 -4.304 181 H PHE 24 H PHE 24 59.609 -1.117 -4.998 182 HA PHE 24 HA PHE 24 62.197 -0.189 -4.375 183 1HB PHE 24 1HB PHE 24 61.543 -2.405 -3.802 184 2HB PHE 24 2HB PHE 24 61.074 -2.778 -5.460 185 HD1 PHE 24 HD1 PHE 24 64.127 -1.455 -3.706 186 HD2 PHE 24 HD2 PHE 24 62.517 -4.199 -6.592 187 HE1 PHE 24 HE1 PHE 24 66.409 -2.314 -4.163 188 HE2 PHE 24 HE2 PHE 24 64.798 -5.058 -7.049 189 HZ PHE 24 HZ PHE 24 66.744 -4.115 -5.834 190 H ASP 25 H ASP 25 60.846 -1.186 -7.520 191 HA ASP 25 HA ASP 25 63.234 -1.090 -9.061 192 1HB ASP 25 1HB ASP 25 60.342 -1.155 -9.418 193 2HB ASP 25 2HB ASP 25 61.122 -0.196 -10.676 194 H ILE 26 H ILE 26 60.839 1.482 -8.373 195 HA ILE 26 HA ILE 26 62.273 3.531 -9.843 196 HB ILE 26 HB ILE 26 60.120 3.529 -7.708 197 1HG1 ILE 26 1HG1 ILE 26 58.913 4.410 -9.920 198 2HG1 ILE 26 2HG1 ILE 26 60.215 3.508 -10.697 199 1HG2 ILE 26 1HG2 ILE 26 61.477 5.662 -7.765 200 2HG2 ILE 26 2HG2 ILE 26 60.980 5.857 -9.446 201 3HG2 ILE 26 3HG2 ILE 26 59.771 5.873 -8.162 202 1HD1 ILE 26 1HD1 ILE 26 58.608 2.250 -8.485 203 2HD1 ILE 26 2HD1 ILE 26 57.994 2.258 -10.139 204 3HD1 ILE 26 3HD1 ILE 26 59.526 1.465 -9.771 205 H PHE 27 H PHE 27 62.440 2.236 -6.596 206 HA PHE 27 HA PHE 27 63.726 4.410 -5.259 207 1HB PHE 27 1HB PHE 27 63.448 1.448 -4.953 208 2HB PHE 27 2HB PHE 27 64.650 2.266 -3.956 209 HD1 PHE 27 HD1 PHE 27 61.434 3.680 -5.183 210 HD2 PHE 27 HD2 PHE 27 63.619 2.171 -1.806 211 HE1 PHE 27 HE1 PHE 27 59.640 4.475 -3.667 212 HE2 PHE 27 HE2 PHE 27 61.825 2.966 -0.290 213 HZ PHE 27 HZ PHE 27 59.836 4.119 -1.220 214 H VAL 28 H VAL 28 65.285 1.396 -6.427 215 HA VAL 28 HA VAL 28 67.929 2.619 -6.374 216 HB VAL 28 HB VAL 28 68.640 0.429 -7.022 217 1HG1 VAL 28 1HG1 VAL 28 66.889 0.833 -4.909 218 2HG1 VAL 28 2HG1 VAL 28 66.210 -0.573 -5.728 219 3HG1 VAL 28 3HG1 VAL 28 67.878 -0.606 -5.160 220 1HG2 VAL 28 1HG2 VAL 28 67.094 0.301 -9.005 221 2HG2 VAL 28 2HG2 VAL 28 67.181 -1.198 -8.080 222 3HG2 VAL 28 3HG2 VAL 28 65.789 -0.130 -7.899 223 H LEU 29 H LEU 29 65.394 2.976 -8.506 224 HA LEU 29 HA LEU 29 66.372 2.665 -11.105 225 1HB LEU 29 1HB LEU 29 64.180 3.727 -9.948 226 2HB LEU 29 2HB LEU 29 64.995 5.219 -10.420 227 HG LEU 29 HG LEU 29 64.337 2.901 -12.262 228 1HD1 LEU 29 1HD1 LEU 29 62.923 5.342 -11.466 229 2HD1 LEU 29 2HD1 LEU 29 63.137 5.211 -13.212 230 3HD1 LEU 29 3HD1 LEU 29 62.318 3.925 -12.325 231 1HD2 LEU 29 1HD2 LEU 29 65.944 5.416 -12.562 232 2HD2 LEU 29 2HD2 LEU 29 66.255 3.809 -13.218 233 3HD2 LEU 29 3HD2 LEU 29 65.015 4.833 -13.943 234 H GLY 30 H GLY 30 68.629 3.093 -11.278 235 1HA GLY 30 1HA GLY 30 70.002 4.936 -12.283 236 2HA GLY 30 2HA GLY 30 69.374 5.979 -11.005 237 H ALA 31 H ALA 31 69.644 3.389 -9.253 238 HA ALA 31 HA ALA 31 71.975 4.098 -7.833 239 1HB ALA 31 1HB ALA 31 70.361 1.571 -8.173 240 2HB ALA 31 2HB ALA 31 71.758 1.609 -7.097 241 3HB ALA 31 3HB ALA 31 70.389 2.681 -6.802 242 H GLU 32 H GLU 32 74.010 2.751 -7.662 243 HA GLU 32 HA GLU 32 75.118 2.267 -10.354 244 1HB GLU 32 1HB GLU 32 76.100 2.568 -7.536 245 2HB GLU 32 2HB GLU 32 77.161 1.804 -8.721 246 1HG GLU 32 1HG GLU 32 77.186 3.733 -10.105 247 2HG GLU 32 2HG GLU 32 75.800 4.443 -9.275 248 H ASP 33 H ASP 33 74.880 0.412 -7.286 249 HA ASP 33 HA ASP 33 75.548 -2.088 -8.711 250 1HB ASP 33 1HB ASP 33 76.062 -1.084 -6.230 251 2HB ASP 33 2HB ASP 33 74.660 -2.097 -5.881 252 H GLY 34 H GLY 34 72.977 -1.411 -6.316 253 1HA GLY 34 1HA GLY 34 70.673 -1.712 -7.784 254 2HA GLY 34 2HA GLY 34 71.225 -3.376 -7.588 255 H CYS 35 H CYS 35 71.600 -0.747 -5.242 256 HA CYS 35 HA CYS 35 69.706 -2.197 -3.424 257 1HB CYS 35 1HB CYS 35 72.330 -0.875 -2.670 258 2HB CYS 35 2HB CYS 35 71.320 -1.895 -1.644 259 HG CYS 35 HG CYS 35 73.465 -3.059 -3.120 260 H ILE 36 H ILE 36 69.633 -0.494 -1.319 261 HA ILE 36 HA ILE 36 68.894 2.153 -2.530 262 HB ILE 36 HB ILE 36 67.596 0.727 -0.191 263 1HG1 ILE 36 1HG1 ILE 36 66.613 0.885 -3.055 264 2HG1 ILE 36 2HG1 ILE 36 67.427 -0.528 -2.382 265 1HG2 ILE 36 1HG2 ILE 36 67.432 3.369 -1.157 266 2HG2 ILE 36 2HG2 ILE 36 65.959 2.570 -1.708 267 3HG2 ILE 36 3HG2 ILE 36 66.358 2.598 0.010 268 1HD1 ILE 36 1HD1 ILE 36 65.172 0.546 -0.781 269 2HD1 ILE 36 2HD1 ILE 36 64.735 -0.200 -2.318 270 3HD1 ILE 36 3HD1 ILE 36 65.623 -1.126 -1.108 271 H SER 37 H SER 37 69.345 3.993 -1.269 272 HA SER 37 HA SER 37 70.610 3.713 1.392 273 1HB SER 37 1HB SER 37 72.053 3.782 -1.054 274 2HB SER 37 2HB SER 37 72.285 5.341 -0.273 275 HG SER 37 HG SER 37 73.805 3.730 0.405 276 H THR 38 H THR 38 68.221 4.940 0.398 277 HA THR 38 HA THR 38 67.005 6.932 0.799 278 HB THR 38 HB THR 38 67.937 8.472 2.272 279 HG1 THR 38 HG1 THR 38 69.632 9.473 1.631 280 1HG2 THR 38 1HG2 THR 38 68.574 5.845 2.755 281 2HG2 THR 38 2HG2 THR 38 70.139 6.639 2.925 282 3HG2 THR 38 3HG2 THR 38 68.774 7.158 3.915 283 H LYS 39 H LYS 39 70.286 7.735 -0.465 284 HA LYS 39 HA LYS 39 69.578 9.877 -2.138 285 1HB LYS 39 1HB LYS 39 71.874 9.039 -1.718 286 2HB LYS 39 2HB LYS 39 71.513 7.591 -2.660 287 1HG LYS 39 1HG LYS 39 71.494 8.740 -4.678 288 2HG LYS 39 2HG LYS 39 71.066 10.274 -3.918 289 1HD LYS 39 1HD LYS 39 73.697 9.048 -3.207 290 2HD LYS 39 2HD LYS 39 73.542 9.810 -4.789 291 1HE LYS 39 1HE LYS 39 72.505 11.315 -2.415 292 2HE LYS 39 2HE LYS 39 74.261 11.255 -2.673 293 1HZ LYS 39 1HZ LYS 39 73.613 11.726 -5.116 294 2HZ LYS 39 2HZ LYS 39 72.163 12.306 -4.456 295 3HZ LYS 39 3HZ LYS 39 73.640 13.016 -4.010 296 H GLU 40 H GLU 40 69.049 6.431 -2.531 297 HA GLU 40 HA GLU 40 67.973 6.760 -5.280 298 1HB GLU 40 1HB GLU 40 68.255 4.336 -3.466 299 2HB GLU 40 2HB GLU 40 67.916 4.304 -5.196 300 1HG GLU 40 1HG GLU 40 70.215 3.942 -5.172 301 2HG GLU 40 2HG GLU 40 70.141 5.693 -5.369 302 H LEU 41 H LEU 41 66.940 5.569 -2.079 303 HA LEU 41 HA LEU 41 64.172 5.200 -2.767 304 1HB LEU 41 1HB LEU 41 64.479 4.106 -0.806 305 2HB LEU 41 2HB LEU 41 65.998 4.950 -0.534 306 HG LEU 41 HG LEU 41 64.758 6.857 0.444 307 1HD1 LEU 41 1HD1 LEU 41 62.507 5.365 -0.681 308 2HD1 LEU 41 2HD1 LEU 41 62.244 5.825 1.001 309 3HD1 LEU 41 3HD1 LEU 41 62.605 7.059 -0.206 310 1HD2 LEU 41 1HD2 LEU 41 65.530 4.880 1.826 311 2HD2 LEU 41 2HD2 LEU 41 64.179 5.774 2.522 312 3HD2 LEU 41 3HD2 LEU 41 63.892 4.239 1.704 313 H GLY 42 H GLY 42 65.840 7.828 -0.985 314 1HA GLY 42 1HA GLY 42 63.659 9.497 -0.479 315 2HA GLY 42 2HA GLY 42 65.282 10.105 -0.810 316 H LYS 43 H LYS 43 65.520 9.187 -3.495 317 HA LYS 43 HA LYS 43 64.577 11.285 -5.034 318 1HB LYS 43 1HB LYS 43 65.749 8.731 -5.393 319 2HB LYS 43 2HB LYS 43 64.396 8.815 -6.521 320 1HG LYS 43 1HG LYS 43 65.615 11.334 -6.684 321 2HG LYS 43 2HG LYS 43 66.954 10.186 -6.626 322 1HD LYS 43 1HD LYS 43 66.399 9.220 -8.622 323 2HD LYS 43 2HD LYS 43 64.670 9.478 -8.390 324 1HE LYS 43 1HE LYS 43 65.104 11.964 -8.752 325 2HE LYS 43 2HE LYS 43 66.735 11.510 -9.283 326 1HZ LYS 43 1HZ LYS 43 65.748 9.969 -10.870 327 2HZ LYS 43 2HZ LYS 43 64.190 10.444 -10.388 328 3HZ LYS 43 3HZ LYS 43 65.211 11.555 -11.161 329 H VAL 44 H VAL 44 62.740 8.499 -3.906 330 HA VAL 44 HA VAL 44 60.466 8.951 -5.686 331 HB VAL 44 HB VAL 44 61.020 7.282 -3.222 332 1HG1 VAL 44 1HG1 VAL 44 58.468 8.029 -4.404 333 2HG1 VAL 44 2HG1 VAL 44 58.731 6.287 -4.498 334 3HG1 VAL 44 3HG1 VAL 44 58.789 7.104 -2.936 335 1HG2 VAL 44 1HG2 VAL 44 61.123 6.933 -6.166 336 2HG2 VAL 44 2HG2 VAL 44 62.052 6.124 -4.904 337 3HG2 VAL 44 3HG2 VAL 44 60.412 5.591 -5.271 338 H MET 45 H MET 45 61.369 9.874 -2.390 339 HA MET 45 HA MET 45 58.914 10.720 -1.331 340 1HB MET 45 1HB MET 45 61.787 11.514 -1.101 341 2HB MET 45 2HB MET 45 60.590 12.570 -0.348 342 1HG MET 45 1HG MET 45 61.415 10.825 1.221 343 2HG MET 45 2HG MET 45 59.682 10.687 0.925 344 1HE MET 45 1HE MET 45 58.527 9.163 0.124 345 2HE MET 45 2HE MET 45 58.976 8.769 -1.533 346 3HE MET 45 3HE MET 45 58.957 7.506 -0.294 347 H ARG 46 H ARG 46 61.239 12.855 -3.043 348 HA ARG 46 HA ARG 46 59.693 15.161 -3.251 349 1HB ARG 46 1HB ARG 46 61.006 15.424 -5.457 350 2HB ARG 46 2HB ARG 46 61.955 15.145 -3.996 351 1HG ARG 46 1HG ARG 46 62.354 12.882 -4.545 352 2HG ARG 46 2HG ARG 46 61.041 12.847 -5.722 353 1HD ARG 46 1HD ARG 46 63.585 14.485 -6.020 354 2HD ARG 46 2HD ARG 46 63.248 12.957 -6.858 355 HE ARG 46 HE ARG 46 61.039 14.337 -7.528 356 1HH1 ARG 46 1HH1 ARG 46 62.700 16.796 -6.636 357 2HH1 ARG 46 2HH1 ARG 46 63.267 17.358 -8.172 358 1HH2 ARG 46 1HH2 ARG 46 62.475 14.421 -9.837 359 2HH2 ARG 46 2HH2 ARG 46 63.140 16.013 -9.984 360 H MET 47 H MET 47 59.392 12.190 -5.160 361 HA MET 47 HA MET 47 57.551 13.316 -7.109 362 1HB MET 47 1HB MET 47 58.583 10.622 -6.288 363 2HB MET 47 2HB MET 47 57.172 10.700 -7.346 364 1HG MET 47 1HG MET 47 58.660 12.444 -8.670 365 2HG MET 47 2HG MET 47 59.983 11.598 -7.870 366 1HE MET 47 1HE MET 47 59.009 9.040 -7.301 367 2HE MET 47 2HE MET 47 58.942 7.901 -8.645 368 3HE MET 47 3HE MET 47 60.436 8.783 -8.302 369 H LEU 48 H LEU 48 57.232 11.632 -4.012 370 HA LEU 48 HA LEU 48 54.382 11.174 -4.171 371 1HB LEU 48 1HB LEU 48 56.323 11.453 -1.851 372 2HB LEU 48 2HB LEU 48 54.685 10.814 -1.711 373 HG LEU 48 HG LEU 48 56.971 9.648 -3.320 374 1HD1 LEU 48 1HD1 LEU 48 56.898 9.183 -0.860 375 2HD1 LEU 48 2HD1 LEU 48 55.289 8.492 -1.076 376 3HD1 LEU 48 3HD1 LEU 48 56.685 7.733 -1.842 377 1HD2 LEU 48 1HD2 LEU 48 54.039 8.877 -3.215 378 2HD2 LEU 48 2HD2 LEU 48 54.929 9.445 -4.628 379 3HD2 LEU 48 3HD2 LEU 48 55.305 7.874 -3.923 380 H GLY 49 H GLY 49 56.340 13.953 -3.471 381 1HA GLY 49 1HA GLY 49 55.156 16.153 -3.625 382 2HA GLY 49 2HA GLY 49 53.880 15.440 -2.637 383 H GLN 50 H GLN 50 56.860 14.311 -1.585 384 HA GLN 50 HA GLN 50 57.277 16.570 0.319 385 1HB GLN 50 1HB GLN 50 56.778 13.656 1.019 386 2HB GLN 50 2HB GLN 50 57.249 14.899 2.178 387 1HG GLN 50 1HG GLN 50 55.027 15.236 2.454 388 2HG GLN 50 2HG GLN 50 55.096 16.063 0.898 389 1HE2 GLN 50 2HE2 GLN 50 55.151 12.576 1.863 390 2HE2 GLN 50 1HE2 GLN 50 53.912 12.115 0.797 391 H ASN 51 H ASN 51 59.428 16.661 1.111 392 HA ASN 51 HA ASN 51 61.320 14.552 0.155 393 1HB ASN 51 1HB ASN 51 62.838 16.572 -0.395 394 2HB ASN 51 2HB ASN 51 61.491 16.265 -1.489 395 1HD2 ASN 51 2HD2 ASN 51 63.008 18.777 0.004 396 2HD2 ASN 51 1HD2 ASN 51 61.699 19.839 0.205 397 HA PRO 52 HA PRO 52 61.986 15.435 4.585 398 1HB PRO 52 1HB PRO 52 62.879 12.911 5.161 399 2HB PRO 52 2HB PRO 52 61.157 13.342 5.107 400 1HG PRO 52 1HG PRO 52 62.835 11.986 3.049 401 2HG PRO 52 2HG PRO 52 61.168 11.649 3.546 402 1HD PRO 52 1HD PRO 52 61.783 13.017 1.285 403 2HD PRO 52 2HD PRO 52 60.295 13.307 2.217 404 H THR 53 H THR 53 64.136 14.476 5.875 405 HA THR 53 HA THR 53 66.413 15.557 4.312 406 HB THR 53 HB THR 53 67.429 15.233 6.719 407 HG1 THR 53 HG1 THR 53 66.086 14.364 8.050 408 1HG2 THR 53 1HG2 THR 53 66.108 17.298 5.427 409 2HG2 THR 53 2HG2 THR 53 65.265 17.187 6.971 410 3HG2 THR 53 3HG2 THR 53 67.009 17.443 6.936 411 HA PRO 54 HA PRO 54 68.412 11.688 3.755 412 1HB PRO 54 1HB PRO 54 71.026 12.277 4.304 413 2HB PRO 54 2HB PRO 54 70.196 12.847 2.842 414 1HG PRO 54 1HG PRO 54 70.807 14.305 5.360 415 2HG PRO 54 2HG PRO 54 70.827 14.882 3.688 416 1HD PRO 54 1HD PRO 54 68.801 15.388 5.457 417 2HD PRO 54 2HD PRO 54 68.596 15.361 3.692 418 H GLU 55 H GLU 55 68.791 13.301 6.836 419 HA GLU 55 HA GLU 55 70.120 11.153 8.248 420 1HB GLU 55 1HB GLU 55 70.151 13.460 9.016 421 2HB GLU 55 2HB GLU 55 68.390 13.493 9.106 422 1HG GLU 55 1HG GLU 55 68.396 11.837 10.885 423 2HG GLU 55 2HG GLU 55 70.141 11.627 10.730 424 H GLU 56 H GLU 56 66.705 12.265 8.340 425 HA GLU 56 HA GLU 56 65.725 10.057 9.870 426 1HB GLU 56 1HB GLU 56 64.733 12.339 8.316 427 2HB GLU 56 2HB GLU 56 63.629 10.963 8.288 428 1HG GLU 56 1HG GLU 56 64.667 11.314 10.955 429 2HG GLU 56 2HG GLU 56 63.983 12.835 10.381 430 H LEU 57 H LEU 57 66.610 10.327 6.527 431 HA LEU 57 HA LEU 57 64.937 8.246 5.438 432 1HB LEU 57 1HB LEU 57 67.068 10.035 4.665 433 2HB LEU 57 2HB LEU 57 67.399 8.419 4.042 434 HG LEU 57 HG LEU 57 64.736 9.827 3.720 435 1HD1 LEU 57 1HD1 LEU 57 67.095 10.572 2.501 436 2HD1 LEU 57 2HD1 LEU 57 66.422 9.427 1.342 437 3HD1 LEU 57 3HD1 LEU 57 65.486 10.840 1.831 438 1HD2 LEU 57 1HD2 LEU 57 64.743 7.331 3.611 439 2HD2 LEU 57 2HD2 LEU 57 64.321 8.070 2.066 440 3HD2 LEU 57 3HD2 LEU 57 65.939 7.417 2.318 441 H GLN 58 H GLN 58 68.370 8.231 6.489 442 HA GLN 58 HA GLN 58 68.990 5.533 6.053 443 1HB GLN 58 1HB GLN 58 70.299 7.623 7.003 444 2HB GLN 58 2HB GLN 58 69.844 6.941 8.565 445 1HG GLN 58 1HG GLN 58 71.026 5.127 6.494 446 2HG GLN 58 2HG GLN 58 72.098 6.203 7.390 447 1HE2 GLN 58 2HE2 GLN 58 71.675 3.159 7.555 448 2HE2 GLN 58 1HE2 GLN 58 71.391 2.872 9.205 449 H GLU 59 H GLU 59 67.277 6.984 8.818 450 HA GLU 59 HA GLU 59 67.154 4.776 10.559 451 1HB GLU 59 1HB GLU 59 65.257 7.027 9.871 452 2HB GLU 59 2HB GLU 59 64.917 5.898 11.183 453 1HG GLU 59 1HG GLU 59 67.040 6.479 12.265 454 2HG GLU 59 2HG GLU 59 67.436 7.567 10.935 455 H MET 60 H MET 60 64.959 5.588 7.853 456 HA MET 60 HA MET 60 63.119 3.455 8.153 457 1HB MET 60 1HB MET 60 64.162 5.140 5.892 458 2HB MET 60 2HB MET 60 63.032 3.830 5.546 459 1HG MET 60 1HG MET 60 61.280 4.904 6.534 460 2HG MET 60 2HG MET 60 62.286 5.558 7.827 461 1HE MET 60 1HE MET 60 61.634 5.406 4.224 462 2HE MET 60 2HE MET 60 60.398 6.638 4.468 463 3HE MET 60 3HE MET 60 61.849 7.026 3.547 464 H ILE 61 H ILE 61 66.326 3.531 6.650 465 HA ILE 61 HA ILE 61 66.111 0.871 5.474 466 HB ILE 61 HB ILE 61 68.311 2.874 6.010 467 1HG1 ILE 61 1HG1 ILE 61 68.291 2.565 3.373 468 2HG1 ILE 61 2HG1 ILE 61 66.659 1.971 3.677 469 1HG2 ILE 61 1HG2 ILE 61 68.590 0.036 5.586 470 2HG2 ILE 61 2HG2 ILE 61 69.215 0.904 4.184 471 3HG2 ILE 61 3HG2 ILE 61 69.854 1.249 5.792 472 1HD1 ILE 61 1HD1 ILE 61 67.334 4.449 5.125 473 2HD1 ILE 61 2HD1 ILE 61 67.305 4.617 3.370 474 3HD1 ILE 61 3HD1 ILE 61 65.876 4.034 4.223 475 H ASP 62 H ASP 62 67.436 2.230 8.478 476 HA ASP 62 HA ASP 62 68.772 -0.154 9.381 477 1HB ASP 62 1HB ASP 62 68.314 2.526 10.188 478 2HB ASP 62 2HB ASP 62 67.763 1.505 11.517 479 H GLU 63 H GLU 63 65.442 1.010 9.655 480 HA GLU 63 HA GLU 63 64.518 -0.738 11.709 481 1HB GLU 63 1HB GLU 63 63.306 0.699 9.355 482 2HB GLU 63 2HB GLU 63 62.306 -0.340 10.371 483 1HG GLU 63 1HG GLU 63 62.595 1.003 12.262 484 2HG GLU 63 2HG GLU 63 64.085 1.719 11.647 485 H VAL 64 H VAL 64 65.167 -1.303 8.297 486 HA VAL 64 HA VAL 64 64.108 -4.095 8.606 487 HB VAL 64 HB VAL 64 63.743 -3.962 6.157 488 1HG1 VAL 64 1HG1 VAL 64 62.146 -2.972 8.018 489 2HG1 VAL 64 2HG1 VAL 64 62.564 -1.436 7.260 490 3HG1 VAL 64 3HG1 VAL 64 61.794 -2.706 6.311 491 1HG2 VAL 64 1HG2 VAL 64 65.689 -2.242 5.948 492 2HG2 VAL 64 2HG2 VAL 64 64.290 -2.049 4.891 493 3HG2 VAL 64 3HG2 VAL 64 64.458 -1.037 6.326 494 H ASP 65 H ASP 65 66.900 -2.837 9.099 495 HA ASP 65 HA ASP 65 68.527 -4.210 7.036 496 1HB ASP 65 1HB ASP 65 68.781 -1.883 8.436 497 2HB ASP 65 2HB ASP 65 69.765 -2.963 9.425 498 H GLU 66 H GLU 66 68.554 -6.427 7.399 499 HA GLU 66 HA GLU 66 68.850 -7.428 10.189 500 1HB GLU 66 1HB GLU 66 67.088 -8.251 8.571 501 2HB GLU 66 2HB GLU 66 68.392 -8.917 7.587 502 1HG GLU 66 1HG GLU 66 69.009 -10.476 9.235 503 2HG GLU 66 2HG GLU 66 68.186 -9.585 10.516 504 H ASP 67 H ASP 67 70.926 -6.364 7.921 505 HA ASP 67 HA ASP 67 73.000 -8.389 8.671 506 1HB ASP 67 1HB ASP 67 73.798 -8.137 6.268 507 2HB ASP 67 2HB ASP 67 72.246 -8.956 6.451 508 H GLY 68 H GLY 68 72.129 -5.342 9.114 509 1HA GLY 68 1HA GLY 68 73.256 -3.310 9.461 510 2HA GLY 68 2HA GLY 68 74.650 -4.327 9.828 511 H SER 69 H SER 69 73.058 -4.355 6.697 512 HA SER 69 HA SER 69 75.587 -3.720 5.363 513 1HB SER 69 1HB SER 69 74.198 -4.120 3.346 514 2HB SER 69 2HB SER 69 73.982 -5.401 4.536 515 HG SER 69 HG SER 69 72.027 -4.605 5.051 516 H GLY 70 H GLY 70 72.740 -1.977 6.364 517 1HA GLY 70 1HA GLY 70 72.394 0.363 6.359 518 2HA GLY 70 2HA GLY 70 73.937 0.551 5.524 519 H THR 71 H THR 71 71.950 -1.759 4.040 520 HA THR 71 HA THR 71 70.784 0.257 2.162 521 HB THR 71 HB THR 71 71.577 -1.531 0.393 522 HG1 THR 71 HG1 THR 71 73.818 -2.026 1.686 523 1HG2 THR 71 1HG2 THR 71 73.198 0.575 1.795 524 2HG2 THR 71 2HG2 THR 71 73.925 -0.374 0.497 525 3HG2 THR 71 3HG2 THR 71 72.495 0.608 0.178 526 H VAL 72 H VAL 72 69.135 -0.849 0.691 527 HA VAL 72 HA VAL 72 67.793 -3.107 2.146 528 HB VAL 72 HB VAL 72 66.742 -0.640 0.742 529 1HG1 VAL 72 1HG1 VAL 72 65.469 -2.759 0.126 530 2HG1 VAL 72 2HG1 VAL 72 65.068 -2.914 1.836 531 3HG1 VAL 72 3HG1 VAL 72 64.514 -1.511 0.924 532 1HG2 VAL 72 1HG2 VAL 72 66.707 -1.755 3.541 533 2HG2 VAL 72 2HG2 VAL 72 67.196 -0.149 3.001 534 3HG2 VAL 72 3HG2 VAL 72 65.489 -0.589 3.026 535 H ASP 73 H ASP 73 67.089 -4.825 0.878 536 HA ASP 73 HA ASP 73 67.760 -4.691 -2.042 537 1HB ASP 73 1HB ASP 73 67.717 -6.926 0.006 538 2HB ASP 73 2HB ASP 73 67.913 -7.217 -1.723 539 H PHE 74 H PHE 74 66.343 -6.477 -3.247 540 HA PHE 74 HA PHE 74 63.619 -5.648 -3.198 541 1HB PHE 74 1HB PHE 74 64.628 -6.657 -5.144 542 2HB PHE 74 2HB PHE 74 65.041 -8.115 -4.241 543 HD1 PHE 74 HD1 PHE 74 62.112 -6.046 -5.313 544 HD2 PHE 74 HD2 PHE 74 63.550 -9.931 -4.171 545 HE1 PHE 74 HE1 PHE 74 59.909 -7.032 -5.888 546 HE2 PHE 74 HE2 PHE 74 61.348 -10.915 -4.747 547 HZ PHE 74 HZ PHE 74 59.528 -9.465 -5.605 548 H ASP 75 H ASP 75 65.318 -7.781 -1.113 549 HA ASP 75 HA ASP 75 62.931 -9.347 -0.339 550 1HB ASP 75 1HB ASP 75 65.731 -9.655 -0.326 551 2HB ASP 75 2HB ASP 75 65.267 -9.567 1.373 552 H GLU 76 H GLU 76 65.251 -7.185 1.340 553 HA GLU 76 HA GLU 76 63.819 -6.919 3.774 554 1HB GLU 76 1HB GLU 76 65.861 -5.387 2.219 555 2HB GLU 76 2HB GLU 76 65.105 -4.573 3.589 556 1HG GLU 76 1HG GLU 76 65.692 -6.556 5.012 557 2HG GLU 76 2HG GLU 76 66.584 -7.218 3.641 558 H PHE 77 H PHE 77 63.614 -5.023 0.761 559 HA PHE 77 HA PHE 77 61.971 -2.908 1.470 560 1HB PHE 77 1HB PHE 77 62.926 -3.932 -0.814 561 2HB PHE 77 2HB PHE 77 61.261 -4.497 -0.960 562 HD1 PHE 77 HD1 PHE 77 59.498 -2.561 -0.098 563 HD2 PHE 77 HD2 PHE 77 63.356 -1.906 -1.869 564 HE1 PHE 77 HE1 PHE 77 58.786 -0.295 -0.812 565 HE2 PHE 77 HE2 PHE 77 62.645 0.360 -2.583 566 HZ PHE 77 HZ PHE 77 60.358 1.165 -2.054 567 H LEU 78 H LEU 78 60.962 -6.284 0.915 568 HA LEU 78 HA LEU 78 58.153 -5.955 1.036 569 1HB LEU 78 1HB LEU 78 60.057 -8.145 1.900 570 2HB LEU 78 2HB LEU 78 58.307 -8.359 1.922 571 HG LEU 78 HG LEU 78 59.652 -7.346 -0.567 572 1HD1 LEU 78 1HD1 LEU 78 60.877 -9.389 0.093 573 2HD1 LEU 78 2HD1 LEU 78 59.346 -10.256 0.234 574 3HD1 LEU 78 3HD1 LEU 78 59.889 -9.674 -1.340 575 1HD2 LEU 78 1HD2 LEU 78 57.043 -8.489 0.266 576 2HD2 LEU 78 2HD2 LEU 78 57.403 -7.308 -0.995 577 3HD2 LEU 78 3HD2 LEU 78 57.645 -9.028 -1.301 578 H VAL 79 H VAL 79 60.467 -6.540 3.712 579 HA VAL 79 HA VAL 79 58.525 -6.540 5.817 580 HB VAL 79 HB VAL 79 61.490 -6.014 5.595 581 1HG1 VAL 79 1HG1 VAL 79 60.564 -4.695 7.504 582 2HG1 VAL 79 2HG1 VAL 79 59.875 -6.181 8.158 583 3HG1 VAL 79 3HG1 VAL 79 61.625 -6.001 8.033 584 1HG2 VAL 79 1HG2 VAL 79 60.069 -8.325 5.485 585 2HG2 VAL 79 2HG2 VAL 79 61.707 -8.231 6.134 586 3HG2 VAL 79 3HG2 VAL 79 60.323 -8.204 7.227 587 H MET 80 H MET 80 60.558 -3.921 4.478 588 HA MET 80 HA MET 80 59.985 -1.821 6.211 589 1HB MET 80 1HB MET 80 61.093 -2.206 3.686 590 2HB MET 80 2HB MET 80 59.772 -1.075 3.388 591 1HG MET 80 1HG MET 80 61.310 -0.442 5.805 592 2HG MET 80 2HG MET 80 62.274 -0.378 4.329 593 1HE MET 80 1HE MET 80 61.528 0.366 2.320 594 2HE MET 80 2HE MET 80 60.231 1.506 1.939 595 3HE MET 80 3HE MET 80 61.803 2.099 2.469 596 H MET 81 H MET 81 57.873 -3.187 3.702 597 HA MET 81 HA MET 81 55.822 -1.124 4.051 598 1HB MET 81 1HB MET 81 56.529 -3.234 2.240 599 2HB MET 81 2HB MET 81 54.853 -3.464 2.741 600 1HG MET 81 1HG MET 81 54.238 -1.813 1.343 601 2HG MET 81 2HG MET 81 55.200 -0.684 2.297 602 1HE MET 81 1HE MET 81 55.169 0.602 0.518 603 2HE MET 81 2HE MET 81 56.873 0.892 0.182 604 3HE MET 81 3HE MET 81 55.810 0.343 -1.110 605 H VAL 82 H VAL 82 56.749 -3.765 5.903 606 HA VAL 82 HA VAL 82 54.017 -4.582 6.699 607 HB VAL 82 HB VAL 82 56.748 -5.371 7.761 608 1HG1 VAL 82 1HG1 VAL 82 53.975 -6.562 7.979 609 2HG1 VAL 82 2HG1 VAL 82 55.437 -7.480 8.345 610 3HG1 VAL 82 3HG1 VAL 82 55.033 -6.047 9.292 611 1HG2 VAL 82 1HG2 VAL 82 56.283 -5.698 5.241 612 2HG2 VAL 82 2HG2 VAL 82 56.788 -7.118 6.157 613 3HG2 VAL 82 3HG2 VAL 82 55.087 -6.892 5.747 614 H ARG 83 H ARG 83 56.858 -2.960 8.123 615 HA ARG 83 HA ARG 83 55.649 -2.512 10.711 616 1HB ARG 83 1HB ARG 83 57.877 -1.038 9.265 617 2HB ARG 83 2HB ARG 83 57.607 -1.063 11.008 618 1HG ARG 83 1HG ARG 83 58.036 -3.454 11.092 619 2HG ARG 83 2HG ARG 83 58.160 -3.529 9.335 620 1HD ARG 83 1HD ARG 83 60.382 -3.135 9.564 621 2HD ARG 83 2HD ARG 83 59.968 -1.508 10.141 622 HE ARG 83 HE ARG 83 60.184 -3.882 11.957 623 1HH1 ARG 83 1HH1 ARG 83 59.202 -0.716 11.990 624 2HH1 ARG 83 2HH1 ARG 83 60.301 -0.183 13.218 625 1HH2 ARG 83 1HH2 ARG 83 62.133 -3.126 13.231 626 2HH2 ARG 83 2HH2 ARG 83 61.959 -1.548 13.922 627 H CYS 84 H CYS 84 55.680 -0.724 7.664 628 HA CYS 84 HA CYS 84 54.556 1.720 8.821 629 1HB CYS 84 1HB CYS 84 56.039 1.235 6.679 630 2HB CYS 84 2HB CYS 84 54.470 0.997 5.910 631 HG CYS 84 HG CYS 84 55.134 3.558 5.774 632 H MET 85 H MET 85 53.314 -1.249 7.436 633 HA MET 85 HA MET 85 50.760 -0.501 6.537 634 1HB MET 85 1HB MET 85 52.200 -2.824 7.100 635 2HB MET 85 2HB MET 85 50.786 -2.943 8.148 636 1HG MET 85 1HG MET 85 49.611 -2.091 5.852 637 2HG MET 85 2HG MET 85 50.956 -3.021 5.191 638 1HE MET 85 1HE MET 85 51.629 -4.996 5.636 639 2HE MET 85 2HE MET 85 50.967 -6.240 6.705 640 3HE MET 85 3HE MET 85 50.408 -6.115 5.038 641 H LYS 86 H LYS 86 48.748 -1.477 8.013 642 HA LYS 86 HA LYS 86 48.722 0.289 10.415 643 1HB LYS 86 1HB LYS 86 46.317 0.171 10.138 644 2HB LYS 86 2HB LYS 86 47.025 0.426 8.542 645 1HG LYS 86 1HG LYS 86 47.046 -2.295 8.670 646 2HG LYS 86 2HG LYS 86 45.601 -1.933 9.614 647 1HD LYS 86 1HD LYS 86 44.568 -0.798 7.817 648 2HD LYS 86 2HD LYS 86 46.089 -0.620 6.942 649 1HE LYS 86 1HE LYS 86 45.025 -2.395 5.796 650 2HE LYS 86 2HE LYS 86 46.087 -3.251 6.933 651 1HZ LYS 86 1HZ LYS 86 44.260 -3.290 8.532 652 2HZ LYS 86 2HZ LYS 86 43.238 -2.540 7.400 653 3HZ LYS 86 3HZ LYS 86 43.836 -4.099 7.099 654 H ASP 87 H ASP 87 50.219 -1.934 10.965 655 HA ASP 87 HA ASP 87 48.563 -4.123 12.004 656 1HB ASP 87 1HB ASP 87 50.726 -5.050 12.609 657 2HB ASP 87 2HB ASP 87 50.869 -4.321 11.009 658 H ASP 88 H ASP 88 49.110 -1.039 13.095 659 HA ASP 88 HA ASP 88 49.571 -1.635 15.935 660 1HB ASP 88 1HB ASP 88 48.713 0.915 14.528 661 2HB ASP 88 2HB ASP 88 49.441 0.795 16.131 662 H SER 89 H SER 89 47.962 -1.040 17.602 663 HA SER 89 HA SER 89 45.128 -1.074 16.624 664 1HB SER 89 1HB SER 89 46.598 -3.120 17.949 665 2HB SER 89 2HB SER 89 45.444 -2.480 19.115 666 HG SER 89 HG SER 89 43.958 -2.647 17.149 667 1H ARG 1 1H ARG 1 53.902 10.161 3.754 668 2H ARG 1 2H ARG 1 53.931 9.909 5.432 669 3H ARG 1 3H ARG 1 54.504 11.368 4.786 670 HA ARG 1 HA ARG 1 56.540 10.546 4.467 671 1HB ARG 1 1HB ARG 1 55.064 8.755 6.268 672 2HB ARG 1 2HB ARG 1 56.449 7.971 5.511 673 1HG ARG 1 1HG ARG 1 57.970 9.580 6.365 674 2HG ARG 1 2HG ARG 1 56.672 10.700 6.783 675 1HD ARG 1 1HD ARG 1 57.027 7.971 8.070 676 2HD ARG 1 2HD ARG 1 57.580 9.496 8.790 677 HE ARG 1 HE ARG 1 54.856 9.806 7.994 678 1HH1 ARG 1 1HH1 ARG 1 56.920 9.102 10.579 679 2HH1 ARG 1 2HH1 ARG 1 55.665 8.592 11.657 680 1HH2 ARG 1 1HH2 ARG 1 53.175 8.729 9.248 681 2HH2 ARG 1 2HH2 ARG 1 53.545 8.380 10.903 682 H ILE 2 H ILE 2 54.590 7.568 3.997 683 HA ILE 2 HA ILE 2 55.419 7.462 1.155 684 HB ILE 2 HB ILE 2 56.256 5.499 3.309 685 1HG1 ILE 2 1HG1 ILE 2 57.761 7.222 1.313 686 2HG1 ILE 2 2HG1 ILE 2 57.751 7.404 3.067 687 1HG2 ILE 2 1HG2 ILE 2 55.637 5.040 0.517 688 2HG2 ILE 2 2HG2 ILE 2 57.351 4.754 0.819 689 3HG2 ILE 2 3HG2 ILE 2 56.133 3.878 1.748 690 1HD1 ILE 2 1HD1 ILE 2 58.643 4.973 3.123 691 2HD1 ILE 2 2HD1 ILE 2 59.010 5.216 1.416 692 3HD1 ILE 2 3HD1 ILE 2 59.763 6.244 2.635 693 H SER 3 H SER 3 52.842 7.798 1.795 694 HA SER 3 HA SER 3 51.344 5.432 2.465 695 1HB SER 3 1HB SER 3 50.900 8.172 1.437 696 2HB SER 3 2HB SER 3 49.649 7.008 1.009 697 HG SER 3 HG SER 3 48.984 7.152 2.985 698 H ALA 4 H ALA 4 51.454 3.611 1.189 699 HA ALA 4 HA ALA 4 52.317 3.330 -1.439 700 1HB ALA 4 1HB ALA 4 50.761 1.869 0.522 701 2HB ALA 4 2HB ALA 4 50.156 1.547 -1.102 702 3HB ALA 4 3HB ALA 4 51.848 1.240 -0.715 703 H ASP 5 H ASP 5 48.885 3.697 -0.453 704 HA ASP 5 HA ASP 5 47.664 3.831 -2.955 705 1HB ASP 5 1HB ASP 5 46.445 3.856 -0.861 706 2HB ASP 5 2HB ASP 5 47.172 5.398 -0.405 707 H ALA 6 H ALA 6 49.143 6.557 -1.160 708 HA ALA 6 HA ALA 6 48.696 8.441 -3.352 709 1HB ALA 6 1HB ALA 6 49.041 8.620 -0.672 710 2HB ALA 6 2HB ALA 6 50.688 8.960 -1.204 711 3HB ALA 6 3HB ALA 6 49.353 9.968 -1.764 712 H MET 7 H MET 7 50.969 5.986 -2.796 713 HA MET 7 HA MET 7 53.280 7.332 -4.008 714 1HB MET 7 1HB MET 7 53.374 5.560 -2.235 715 2HB MET 7 2HB MET 7 52.737 4.408 -3.409 716 1HG MET 7 1HG MET 7 54.670 4.703 -4.840 717 2HG MET 7 2HG MET 7 55.276 6.009 -3.822 718 1HE MET 7 1HE MET 7 57.353 5.075 -3.873 719 2HE MET 7 2HE MET 7 57.983 3.819 -2.799 720 3HE MET 7 3HE MET 7 57.320 3.386 -4.372 721 H MET 8 H MET 8 50.719 5.106 -5.022 722 HA MET 8 HA MET 8 51.872 4.435 -7.587 723 1HB MET 8 1HB MET 8 48.979 4.466 -6.674 724 2HB MET 8 2HB MET 8 49.658 3.491 -7.978 725 1HG MET 8 1HG MET 8 50.289 3.278 -5.023 726 2HG MET 8 2HG MET 8 49.473 2.079 -6.025 727 1HE MET 8 1HE MET 8 52.077 2.713 -4.145 728 2HE MET 8 2HE MET 8 53.546 1.986 -4.791 729 3HE MET 8 3HE MET 8 53.146 3.668 -5.171 730 H GLN 9 H GLN 9 49.784 7.049 -6.435 731 HA GLN 9 HA GLN 9 49.098 8.016 -9.102 732 1HB GLN 9 1HB GLN 9 48.547 8.582 -6.290 733 2HB GLN 9 2HB GLN 9 48.729 10.060 -7.236 734 1HG GLN 9 1HG GLN 9 47.074 7.842 -8.376 735 2HG GLN 9 2HG GLN 9 46.382 8.829 -7.088 736 1HE2 GLN 9 2HE2 GLN 9 44.860 9.609 -8.862 737 2HE2 GLN 9 1HE2 GLN 9 45.388 10.856 -9.885 738 H ALA 10 H ALA 10 51.531 8.827 -6.642 739 HA ALA 10 HA ALA 10 52.520 11.192 -8.004 740 1HB ALA 10 1HB ALA 10 52.967 9.644 -5.599 741 2HB ALA 10 2HB ALA 10 54.512 10.063 -6.342 742 3HB ALA 10 3HB ALA 10 53.366 11.333 -5.912 743 H LEU 11 H LEU 11 53.857 7.883 -7.629 744 HA LEU 11 HA LEU 11 55.226 8.235 -10.268 745 1HB LEU 11 1HB LEU 11 57.235 7.204 -9.205 746 2HB LEU 11 2HB LEU 11 56.785 8.724 -8.432 747 HG LEU 11 HG LEU 11 55.542 6.254 -7.333 748 1HD1 LEU 11 1HD1 LEU 11 57.930 5.620 -7.730 749 2HD1 LEU 11 2HD1 LEU 11 58.423 7.006 -6.757 750 3HD1 LEU 11 3HD1 LEU 11 57.513 5.689 -6.017 751 1HD2 LEU 11 1HD2 LEU 11 56.203 8.999 -6.544 752 2HD2 LEU 11 2HD2 LEU 11 54.964 7.918 -5.906 753 3HD2 LEU 11 3HD2 LEU 11 56.619 7.814 -5.306 754 H LEU 12 H LEU 12 56.520 5.513 -9.385 755 HA LEU 12 HA LEU 12 56.055 3.242 -9.842 756 1HB LEU 12 1HB LEU 12 53.778 4.407 -8.311 757 2HB LEU 12 2HB LEU 12 53.507 2.823 -9.038 758 HG LEU 12 HG LEU 12 54.411 2.634 -6.736 759 1HD1 LEU 12 1HD1 LEU 12 55.040 1.103 -8.801 760 2HD1 LEU 12 2HD1 LEU 12 56.646 1.784 -8.544 761 3HD1 LEU 12 3HD1 LEU 12 55.852 0.885 -7.251 762 1HD2 LEU 12 1HD2 LEU 12 56.646 4.258 -7.964 763 2HD2 LEU 12 2HD2 LEU 12 55.738 4.590 -6.489 764 3HD2 LEU 12 3HD2 LEU 12 56.902 3.266 -6.529 765 H GLY 13 H GLY 13 55.889 4.761 -12.139 766 1HA GLY 13 1HA GLY 13 53.519 3.558 -13.502 767 2HA GLY 13 2HA GLY 13 53.968 5.235 -13.811 768 H ALA 14 H ALA 14 53.944 2.750 -15.571 769 HA ALA 14 HA ALA 14 56.571 3.269 -16.833 770 1HB ALA 14 1HB ALA 14 56.649 1.394 -15.029 771 2HB ALA 14 2HB ALA 14 55.741 0.438 -16.199 772 3HB ALA 14 3HB ALA 14 57.345 1.043 -16.610 773 H ARG 15 H ARG 15 53.957 3.909 -17.746 774 HA ARG 15 HA ARG 15 52.734 1.951 -19.419 775 1HB ARG 15 1HB ARG 15 52.663 4.817 -18.899 776 2HB ARG 15 2HB ARG 15 52.391 4.467 -20.606 777 1HG ARG 15 1HG ARG 15 50.780 2.605 -19.656 778 2HG ARG 15 2HG ARG 15 50.773 3.632 -18.223 779 1HD ARG 15 1HD ARG 15 50.444 5.189 -20.680 780 2HD ARG 15 2HD ARG 15 49.153 3.992 -20.456 781 HE ARG 15 HE ARG 15 49.803 6.194 -18.578 782 1HH1 ARG 15 1HH1 ARG 15 48.925 3.115 -17.941 783 2HH1 ARG 15 2HH1 ARG 15 47.327 3.454 -17.366 784 1HH2 ARG 15 1HH2 ARG 15 47.354 6.750 -18.445 785 2HH2 ARG 15 2HH2 ARG 15 46.437 5.513 -17.652 786 H ALA 16 H ALA 16 55.360 4.273 -20.056 787 HA ALA 16 HA ALA 16 55.602 3.863 -22.865 788 1HB ALA 16 1HB ALA 16 56.821 5.328 -20.842 789 2HB ALA 16 2HB ALA 16 58.111 4.265 -21.404 790 3HB ALA 16 3HB ALA 16 57.295 5.340 -22.540 791 H LYS 17 H LYS 17 57.649 2.430 -20.282 792 HA LYS 17 HA LYS 17 59.046 0.570 -21.861 793 1HB LYS 17 1HB LYS 17 58.790 1.265 -19.189 794 2HB LYS 17 2HB LYS 17 58.236 -0.410 -19.214 795 1HG LYS 17 1HG LYS 17 60.572 -0.593 -18.906 796 2HG LYS 17 2HG LYS 17 60.349 -0.880 -20.632 797 1HD LYS 17 1HD LYS 17 61.544 0.952 -21.175 798 2HD LYS 17 2HD LYS 17 60.623 1.959 -20.058 799 1HE LYS 17 1HE LYS 17 62.127 1.647 -18.319 800 2HE LYS 17 2HE LYS 17 62.627 0.047 -18.906 801 1HZ LYS 17 1HZ LYS 17 63.550 1.226 -20.894 802 2HZ LYS 17 2HZ LYS 17 63.299 2.690 -20.075 803 3HZ LYS 17 3HZ LYS 17 64.373 1.537 -19.440 Start of MODEL 7 1 1H MET 1 1H MET 1 60.865 -6.751 18.875 2 2H MET 1 2H MET 1 62.066 -7.695 19.613 3 3H MET 1 3H MET 1 62.474 -6.650 18.338 4 HA MET 1 HA MET 1 61.484 -7.992 16.726 5 1HB MET 1 1HB MET 1 63.557 -8.806 18.091 6 2HB MET 1 2HB MET 1 62.444 -10.001 18.761 7 1HG MET 1 1HG MET 1 62.501 -9.631 15.792 8 2HG MET 1 2HG MET 1 63.824 -10.520 16.550 9 1HE MET 1 1HE MET 1 61.104 -10.837 14.631 10 2HE MET 1 2HE MET 1 60.003 -12.098 15.186 11 3HE MET 1 3HE MET 1 59.891 -10.462 15.854 12 H ASP 2 H ASP 2 59.277 -8.255 16.454 13 HA ASP 2 HA ASP 2 57.866 -10.088 18.368 14 1HB ASP 2 1HB ASP 2 57.427 -7.397 17.824 15 2HB ASP 2 2HB ASP 2 56.222 -8.214 16.828 16 H ASP 3 H ASP 3 56.651 -11.741 17.427 17 HA ASP 3 HA ASP 3 57.177 -12.457 14.669 18 1HB ASP 3 1HB ASP 3 55.825 -13.502 17.069 19 2HB ASP 3 2HB ASP 3 55.080 -14.017 15.555 20 H ILE 4 H ILE 4 56.207 -10.089 14.123 21 HA ILE 4 HA ILE 4 53.283 -10.434 13.538 22 HB ILE 4 HB ILE 4 54.152 -8.618 15.147 23 1HG1 ILE 4 1HG1 ILE 4 52.714 -7.423 12.789 24 2HG1 ILE 4 2HG1 ILE 4 51.941 -8.688 13.745 25 1HG2 ILE 4 1HG2 ILE 4 56.110 -8.040 13.663 26 2HG2 ILE 4 2HG2 ILE 4 54.964 -7.316 12.535 27 3HG2 ILE 4 3HG2 ILE 4 55.144 -6.650 14.157 28 1HD1 ILE 4 1HD1 ILE 4 52.873 -7.072 15.726 29 2HD1 ILE 4 2HD1 ILE 4 52.545 -5.882 14.468 30 3HD1 ILE 4 3HD1 ILE 4 51.254 -6.939 15.039 31 H TYR 5 H TYR 5 56.407 -9.297 12.267 32 HA TYR 5 HA TYR 5 55.317 -8.690 9.617 33 1HB TYR 5 1HB TYR 5 58.180 -9.044 10.559 34 2HB TYR 5 2HB TYR 5 57.638 -8.143 9.142 35 HD1 TYR 5 HD1 TYR 5 55.435 -6.552 9.957 36 HD2 TYR 5 HD2 TYR 5 58.930 -7.593 12.226 37 HE1 TYR 5 HE1 TYR 5 55.127 -4.529 11.359 38 HE2 TYR 5 HE2 TYR 5 58.622 -5.571 13.629 39 HH TYR 5 HH TYR 5 55.763 -3.765 13.644 40 H LYS 6 H LYS 6 57.755 -11.077 10.750 41 HA LYS 6 HA LYS 6 58.075 -12.631 8.491 42 1HB LYS 6 1HB LYS 6 57.665 -13.547 11.358 43 2HB LYS 6 2HB LYS 6 58.459 -14.493 10.099 44 1HG LYS 6 1HG LYS 6 60.002 -12.422 9.818 45 2HG LYS 6 2HG LYS 6 59.393 -11.941 11.402 46 1HD LYS 6 1HD LYS 6 59.992 -14.452 12.021 47 2HD LYS 6 2HD LYS 6 61.102 -14.284 10.661 48 1HE LYS 6 1HE LYS 6 62.208 -12.400 11.692 49 2HE LYS 6 2HE LYS 6 60.979 -12.315 12.970 50 1HZ LYS 6 1HZ LYS 6 62.502 -14.795 12.457 51 2HZ LYS 6 2HZ LYS 6 63.111 -13.594 13.488 52 3HZ LYS 6 3HZ LYS 6 61.636 -14.354 13.850 53 H ALA 7 H ALA 7 55.235 -12.511 10.584 54 HA ALA 7 HA ALA 7 53.939 -14.831 9.350 55 1HB ALA 7 1HB ALA 7 53.205 -12.655 11.308 56 2HB ALA 7 2HB ALA 7 51.990 -13.793 10.726 57 3HB ALA 7 3HB ALA 7 53.399 -14.381 11.610 58 H ALA 8 H ALA 8 53.539 -11.280 9.208 59 HA ALA 8 HA ALA 8 51.341 -11.260 7.368 60 1HB ALA 8 1HB ALA 8 53.225 -9.441 8.638 61 2HB ALA 8 2HB ALA 8 52.892 -8.948 6.977 62 3HB ALA 8 3HB ALA 8 51.565 -9.138 8.124 63 H VAL 9 H VAL 9 54.875 -11.083 6.850 64 HA VAL 9 HA VAL 9 54.944 -10.648 4.070 65 HB VAL 9 HB VAL 9 56.690 -12.517 5.704 66 1HG1 VAL 9 1HG1 VAL 9 56.804 -12.114 3.046 67 2HG1 VAL 9 2HG1 VAL 9 57.744 -10.719 3.578 68 3HG1 VAL 9 3HG1 VAL 9 58.251 -12.346 4.028 69 1HG2 VAL 9 1HG2 VAL 9 56.114 -9.835 6.230 70 2HG2 VAL 9 2HG2 VAL 9 57.510 -10.733 6.824 71 3HG2 VAL 9 3HG2 VAL 9 57.638 -9.781 5.345 72 H GLU 10 H GLU 10 54.994 -13.825 5.729 73 HA GLU 10 HA GLU 10 54.785 -15.465 3.433 74 1HB GLU 10 1HB GLU 10 53.811 -15.748 6.289 75 2HB GLU 10 2HB GLU 10 53.806 -17.083 5.136 76 1HG GLU 10 1HG GLU 10 56.340 -15.533 5.453 77 2HG GLU 10 2HG GLU 10 55.891 -16.648 6.745 78 H GLN 11 H GLN 11 52.389 -13.463 4.972 79 HA GLN 11 HA GLN 11 50.062 -14.861 3.879 80 1HB GLN 11 1HB GLN 11 50.724 -12.657 5.659 81 2HB GLN 11 2HB GLN 11 49.406 -12.216 4.572 82 1HG GLN 11 1HG GLN 11 48.061 -14.043 5.288 83 2HG GLN 11 2HG GLN 11 49.424 -14.835 6.081 84 1HE2 GLN 11 2HE2 GLN 11 48.769 -14.783 8.272 85 2HE2 GLN 11 1HE2 GLN 11 48.388 -13.357 9.110 86 H LEU 12 H LEU 12 52.380 -12.652 2.641 87 HA LEU 12 HA LEU 12 50.814 -11.105 0.825 88 1HB LEU 12 1HB LEU 12 53.660 -12.155 0.702 89 2HB LEU 12 2HB LEU 12 53.026 -10.875 -0.332 90 HG LEU 12 HG LEU 12 52.874 -10.702 2.679 91 1HD1 LEU 12 1HD1 LEU 12 55.247 -10.988 1.995 92 2HD1 LEU 12 2HD1 LEU 12 55.070 -9.633 0.878 93 3HD1 LEU 12 3HD1 LEU 12 54.931 -9.368 2.617 94 1HD2 LEU 12 1HD2 LEU 12 51.649 -9.225 0.767 95 2HD2 LEU 12 2HD2 LEU 12 52.153 -8.554 2.318 96 3HD2 LEU 12 3HD2 LEU 12 53.171 -8.344 0.892 97 H THR 13 H THR 13 50.233 -11.497 -1.353 98 HA THR 13 HA THR 13 50.353 -14.368 -2.204 99 HB THR 13 HB THR 13 48.398 -13.443 -3.688 100 HG1 THR 13 HG1 THR 13 48.141 -11.603 -1.603 101 1HG2 THR 13 1HG2 THR 13 48.247 -14.970 -1.669 102 2HG2 THR 13 2HG2 THR 13 47.987 -13.525 -0.692 103 3HG2 THR 13 3HG2 THR 13 46.829 -13.960 -1.948 104 H GLU 14 H GLU 14 50.661 -14.732 -4.549 105 HA GLU 14 HA GLU 14 52.883 -13.437 -5.688 106 1HB GLU 14 1HB GLU 14 52.088 -15.597 -6.427 107 2HB GLU 14 2HB GLU 14 50.532 -14.915 -6.907 108 1HG GLU 14 1HG GLU 14 51.500 -13.715 -8.721 109 2HG GLU 14 2HG GLU 14 53.137 -13.978 -8.120 110 H GLU 15 H GLU 15 49.417 -12.730 -6.124 111 HA GLU 15 HA GLU 15 49.722 -10.737 -8.167 112 1HB GLU 15 1HB GLU 15 47.686 -11.752 -6.282 113 2HB GLU 15 2HB GLU 15 47.444 -10.078 -6.785 114 1HG GLU 15 1HG GLU 15 48.137 -12.065 -8.901 115 2HG GLU 15 2HG GLU 15 46.506 -12.122 -8.231 116 H GLN 16 H GLN 16 48.822 -10.151 -4.745 117 HA GLN 16 HA GLN 16 49.234 -7.414 -4.600 118 1HB GLN 16 1HB GLN 16 48.379 -8.667 -2.742 119 2HB GLN 16 2HB GLN 16 49.839 -9.651 -2.651 120 1HG GLN 16 1HG GLN 16 50.832 -8.149 -1.302 121 2HG GLN 16 2HG GLN 16 50.525 -6.850 -2.456 122 1HE2 GLN 16 2HE2 GLN 16 49.568 -8.158 0.596 123 2HE2 GLN 16 1HE2 GLN 16 48.231 -7.144 0.856 124 H LYS 17 H LYS 17 51.740 -9.936 -4.198 125 HA LYS 17 HA LYS 17 53.966 -8.332 -3.609 126 1HB LYS 17 1HB LYS 17 53.463 -10.908 -5.061 127 2HB LYS 17 2HB LYS 17 55.095 -10.241 -5.076 128 1HG LYS 17 1HG LYS 17 55.351 -10.453 -2.770 129 2HG LYS 17 2HG LYS 17 53.613 -10.422 -2.473 130 1HD LYS 17 1HD LYS 17 53.413 -12.662 -2.742 131 2HD LYS 17 2HD LYS 17 54.470 -12.673 -4.154 132 1HE LYS 17 1HE LYS 17 56.086 -12.048 -1.877 133 2HE LYS 17 2HE LYS 17 55.116 -13.483 -1.489 134 1HZ LYS 17 1HZ LYS 17 56.436 -13.173 -4.117 135 2HZ LYS 17 2HZ LYS 17 57.259 -13.853 -2.795 136 3HZ LYS 17 3HZ LYS 17 55.852 -14.591 -3.387 137 H ASN 18 H ASN 18 52.394 -8.905 -6.735 138 HA ASN 18 HA ASN 18 54.446 -7.611 -8.331 139 1HB ASN 18 1HB ASN 18 51.695 -8.708 -8.629 140 2HB ASN 18 2HB ASN 18 52.199 -7.528 -9.840 141 1HD2 ASN 18 2HD2 ASN 18 52.183 -10.809 -9.267 142 2HD2 ASN 18 1HD2 ASN 18 53.523 -11.261 -10.206 143 H GLU 19 H GLU 19 52.059 -6.432 -6.203 144 HA GLU 19 HA GLU 19 51.596 -3.883 -7.608 145 1HB GLU 19 1HB GLU 19 50.879 -4.906 -4.839 146 2HB GLU 19 2HB GLU 19 50.231 -3.443 -5.582 147 1HG GLU 19 1HG GLU 19 49.513 -5.003 -7.527 148 2HG GLU 19 2HG GLU 19 49.769 -6.314 -6.375 149 H PHE 20 H PHE 20 53.279 -4.992 -4.651 150 HA PHE 20 HA PHE 20 54.314 -2.373 -3.966 151 1HB PHE 20 1HB PHE 20 54.917 -5.236 -3.201 152 2HB PHE 20 2HB PHE 20 55.814 -3.885 -2.508 153 HD1 PHE 20 HD1 PHE 20 53.725 -1.812 -2.283 154 HD2 PHE 20 HD2 PHE 20 53.547 -6.023 -1.452 155 HE1 PHE 20 HE1 PHE 20 51.884 -1.415 -0.669 156 HE2 PHE 20 HE2 PHE 20 51.706 -5.627 0.162 157 HZ PHE 20 HZ PHE 20 50.875 -3.323 0.554 158 H LYS 21 H LYS 21 55.477 -5.055 -5.953 159 HA LYS 21 HA LYS 21 58.214 -4.470 -6.169 160 1HB LYS 21 1HB LYS 21 58.081 -5.716 -8.202 161 2HB LYS 21 2HB LYS 21 56.768 -6.335 -7.199 162 1HG LYS 21 1HG LYS 21 55.650 -5.974 -9.208 163 2HG LYS 21 2HG LYS 21 55.373 -4.435 -8.392 164 1HD LYS 21 1HD LYS 21 56.338 -3.419 -10.156 165 2HD LYS 21 2HD LYS 21 57.864 -4.149 -9.656 166 1HE LYS 21 1HE LYS 21 57.530 -6.048 -11.090 167 2HE LYS 21 2HE LYS 21 55.848 -5.585 -11.411 168 1HZ LYS 21 1HZ LYS 21 56.891 -3.369 -12.155 169 2HZ LYS 21 2HZ LYS 21 58.330 -4.260 -12.299 170 3HZ LYS 21 3HZ LYS 21 56.972 -4.695 -13.216 171 H ALA 22 H ALA 22 55.456 -2.756 -7.523 172 HA ALA 22 HA ALA 22 56.763 -1.194 -9.512 173 1HB ALA 22 1HB ALA 22 54.429 -0.616 -7.659 174 2HB ALA 22 2HB ALA 22 54.810 0.329 -9.098 175 3HB ALA 22 3HB ALA 22 54.340 -1.364 -9.253 176 H ALA 23 H ALA 23 56.032 -0.325 -6.102 177 HA ALA 23 HA ALA 23 57.465 2.148 -6.103 178 1HB ALA 23 1HB ALA 23 55.775 1.363 -4.436 179 2HB ALA 23 2HB ALA 23 56.949 0.189 -3.840 180 3HB ALA 23 3HB ALA 23 57.263 1.916 -3.669 181 H PHE 24 H PHE 24 58.465 -1.025 -4.744 182 HA PHE 24 HA PHE 24 61.083 -0.463 -4.002 183 1HB PHE 24 1HB PHE 24 60.135 -2.627 -3.633 184 2HB PHE 24 2HB PHE 24 59.817 -2.860 -5.351 185 HD1 PHE 24 HD1 PHE 24 62.477 -2.676 -2.773 186 HD2 PHE 24 HD2 PHE 24 61.533 -3.614 -6.857 187 HE1 PHE 24 HE1 PHE 24 64.708 -3.722 -3.049 188 HE2 PHE 24 HE2 PHE 24 63.764 -4.661 -7.132 189 HZ PHE 24 HZ PHE 24 65.353 -4.715 -5.229 190 H ASP 25 H ASP 25 59.940 -1.301 -7.284 191 HA ASP 25 HA ASP 25 62.400 -1.305 -8.658 192 1HB ASP 25 1HB ASP 25 59.600 -1.257 -9.191 193 2HB ASP 25 2HB ASP 25 60.344 -0.024 -10.209 194 H ILE 26 H ILE 26 60.207 1.463 -8.046 195 HA ILE 26 HA ILE 26 61.914 3.439 -9.268 196 HB ILE 26 HB ILE 26 59.588 3.402 -7.347 197 1HG1 ILE 26 1HG1 ILE 26 58.931 4.987 -9.467 198 2HG1 ILE 26 2HG1 ILE 26 60.091 3.895 -10.225 199 1HG2 ILE 26 1HG2 ILE 26 61.097 5.286 -6.690 200 2HG2 ILE 26 2HG2 ILE 26 60.998 5.899 -8.341 201 3HG2 ILE 26 3HG2 ILE 26 59.552 5.842 -7.333 202 1HD1 ILE 26 1HD1 ILE 26 57.838 2.870 -8.495 203 2HD1 ILE 26 2HD1 ILE 26 57.632 3.147 -10.224 204 3HD1 ILE 26 3HD1 ILE 26 58.819 1.973 -9.654 205 H PHE 27 H PHE 27 61.756 1.997 -6.064 206 HA PHE 27 HA PHE 27 63.309 3.951 -4.639 207 1HB PHE 27 1HB PHE 27 62.225 1.248 -4.314 208 2HB PHE 27 2HB PHE 27 63.755 1.469 -3.465 209 HD1 PHE 27 HD1 PHE 27 60.605 3.416 -4.109 210 HD2 PHE 27 HD2 PHE 27 63.624 2.258 -1.282 211 HE1 PHE 27 HE1 PHE 27 59.433 4.693 -2.335 212 HE2 PHE 27 HE2 PHE 27 62.453 3.535 0.492 213 HZ PHE 27 HZ PHE 27 60.358 4.753 -0.035 214 H VAL 28 H VAL 28 64.175 1.571 -6.996 215 HA VAL 28 HA VAL 28 67.071 1.843 -6.251 216 HB VAL 28 HB VAL 28 67.293 -0.350 -7.385 217 1HG1 VAL 28 1HG1 VAL 28 65.201 -0.056 -5.227 218 2HG1 VAL 28 2HG1 VAL 28 65.734 -1.640 -5.791 219 3HG1 VAL 28 3HG1 VAL 28 66.890 -0.531 -5.052 220 1HG2 VAL 28 1HG2 VAL 28 65.209 0.255 -8.871 221 2HG2 VAL 28 2HG2 VAL 28 65.504 -1.429 -8.439 222 3HG2 VAL 28 3HG2 VAL 28 64.295 -0.492 -7.561 223 H LEU 29 H LEU 29 65.239 3.554 -8.051 224 HA LEU 29 HA LEU 29 65.959 3.110 -10.793 225 1HB LEU 29 1HB LEU 29 64.233 4.685 -9.436 226 2HB LEU 29 2HB LEU 29 65.499 5.868 -9.768 227 HG LEU 29 HG LEU 29 64.304 4.082 -11.901 228 1HD1 LEU 29 1HD1 LEU 29 62.665 5.700 -10.766 229 2HD1 LEU 29 2HD1 LEU 29 63.650 6.998 -11.442 230 3HD1 LEU 29 3HD1 LEU 29 62.839 5.857 -12.514 231 1HD2 LEU 29 1HD2 LEU 29 66.107 6.514 -11.884 232 2HD2 LEU 29 2HD2 LEU 29 66.445 4.919 -12.558 233 3HD2 LEU 29 3HD2 LEU 29 65.265 5.974 -13.337 234 H GLY 30 H GLY 30 68.193 2.865 -11.127 235 1HA GLY 30 1HA GLY 30 70.049 4.439 -11.874 236 2HA GLY 30 2HA GLY 30 69.913 5.156 -10.266 237 H ALA 31 H ALA 31 69.438 2.470 -9.036 238 HA ALA 31 HA ALA 31 72.126 1.831 -8.315 239 1HB ALA 31 1HB ALA 31 69.386 0.850 -7.890 240 2HB ALA 31 2HB ALA 31 70.603 -0.423 -7.798 241 3HB ALA 31 3HB ALA 31 70.719 0.985 -6.742 242 H GLU 32 H GLU 32 73.310 -0.169 -8.822 243 HA GLU 32 HA GLU 32 73.007 -0.939 -11.671 244 1HB GLU 32 1HB GLU 32 75.119 -0.400 -9.930 245 2HB GLU 32 2HB GLU 32 75.168 -2.153 -10.119 246 1HG GLU 32 1HG GLU 32 75.665 -2.036 -12.361 247 2HG GLU 32 2HG GLU 32 74.762 -0.538 -12.589 248 H ASP 33 H ASP 33 73.417 -2.594 -8.514 249 HA ASP 33 HA ASP 33 72.707 -5.201 -9.604 250 1HB ASP 33 1HB ASP 33 73.337 -3.951 -6.958 251 2HB ASP 33 2HB ASP 33 72.529 -5.519 -6.953 252 H GLY 34 H GLY 34 71.106 -3.316 -7.013 253 1HA GLY 34 1HA GLY 34 68.598 -2.857 -7.885 254 2HA GLY 34 2HA GLY 34 68.540 -4.610 -7.688 255 H CYS 35 H CYS 35 69.869 -1.875 -5.793 256 HA CYS 35 HA CYS 35 68.320 -2.880 -3.438 257 1HB CYS 35 1HB CYS 35 71.267 -2.193 -3.650 258 2HB CYS 35 2HB CYS 35 70.435 -2.438 -2.115 259 HG CYS 35 HG CYS 35 69.962 -4.812 -3.918 260 H ILE 36 H ILE 36 68.663 -1.093 -1.587 261 HA ILE 36 HA ILE 36 68.405 1.597 -2.894 262 HB ILE 36 HB ILE 36 66.913 0.356 -0.563 263 1HG1 ILE 36 1HG1 ILE 36 65.558 1.443 -2.978 264 2HG1 ILE 36 2HG1 ILE 36 66.461 -0.058 -3.194 265 1HG2 ILE 36 1HG2 ILE 36 67.281 3.147 -1.436 266 2HG2 ILE 36 2HG2 ILE 36 65.596 2.672 -1.226 267 3HG2 ILE 36 3HG2 ILE 36 66.729 2.517 0.116 268 1HD1 ILE 36 1HD1 ILE 36 65.240 -0.962 -1.163 269 2HD1 ILE 36 2HD1 ILE 36 64.214 0.470 -1.234 270 3HD1 ILE 36 3HD1 ILE 36 64.221 -0.679 -2.573 271 H SER 37 H SER 37 69.240 3.367 -1.697 272 HA SER 37 HA SER 37 70.628 2.874 0.877 273 1HB SER 37 1HB SER 37 71.927 2.476 -1.505 274 2HB SER 37 2HB SER 37 72.281 4.170 -1.190 275 HG SER 37 HG SER 37 73.626 3.527 0.280 276 H THR 38 H THR 38 68.410 4.505 -0.085 277 HA THR 38 HA THR 38 67.565 6.652 0.449 278 HB THR 38 HB THR 38 68.838 8.056 1.799 279 HG1 THR 38 HG1 THR 38 70.420 8.524 0.273 280 1HG2 THR 38 1HG2 THR 38 69.018 5.398 2.354 281 2HG2 THR 38 2HG2 THR 38 70.724 5.846 2.320 282 3HG2 THR 38 3HG2 THR 38 69.617 6.670 3.419 283 H LYS 39 H LYS 39 70.706 6.667 -1.285 284 HA LYS 39 HA LYS 39 70.408 9.005 -2.804 285 1HB LYS 39 1HB LYS 39 72.338 7.350 -2.678 286 2HB LYS 39 2HB LYS 39 71.440 6.337 -3.810 287 1HG LYS 39 1HG LYS 39 71.577 7.943 -5.539 288 2HG LYS 39 2HG LYS 39 72.009 9.236 -4.420 289 1HD LYS 39 1HD LYS 39 74.125 8.791 -5.170 290 2HD LYS 39 2HD LYS 39 74.050 7.522 -3.947 291 1HE LYS 39 1HE LYS 39 74.059 5.878 -5.519 292 2HE LYS 39 2HE LYS 39 72.845 6.715 -6.505 293 1HZ LYS 39 1HZ LYS 39 75.653 7.640 -6.280 294 2HZ LYS 39 2HZ LYS 39 75.135 6.586 -7.507 295 3HZ LYS 39 3HZ LYS 39 74.478 8.146 -7.397 296 H GLU 40 H GLU 40 69.088 5.753 -3.446 297 HA GLU 40 HA GLU 40 67.617 6.746 -5.826 298 1HB GLU 40 1HB GLU 40 67.568 4.004 -4.543 299 2HB GLU 40 2HB GLU 40 67.235 4.413 -6.225 300 1HG GLU 40 1HG GLU 40 69.933 4.900 -4.945 301 2HG GLU 40 2HG GLU 40 69.524 3.383 -5.746 302 H LEU 41 H LEU 41 67.106 5.905 -2.473 303 HA LEU 41 HA LEU 41 64.203 5.649 -2.673 304 1HB LEU 41 1HB LEU 41 64.839 4.479 -0.836 305 2HB LEU 41 2HB LEU 41 66.386 5.311 -0.760 306 HG LEU 41 HG LEU 41 65.243 7.243 0.345 307 1HD1 LEU 41 1HD1 LEU 41 62.970 6.574 -0.645 308 2HD1 LEU 41 2HD1 LEU 41 62.883 5.381 0.651 309 3HD1 LEU 41 3HD1 LEU 41 62.974 7.098 1.038 310 1HD2 LEU 41 1HD2 LEU 41 65.106 4.483 1.570 311 2HD2 LEU 41 2HD2 LEU 41 66.327 5.730 1.824 312 3HD2 LEU 41 3HD2 LEU 41 64.711 5.929 2.499 313 H GLY 42 H GLY 42 66.413 8.113 -1.277 314 1HA GLY 42 1HA GLY 42 64.455 9.959 -0.442 315 2HA GLY 42 2HA GLY 42 66.081 10.417 -0.953 316 H LYS 43 H LYS 43 65.509 9.161 -3.667 317 HA LYS 43 HA LYS 43 64.743 11.523 -5.062 318 1HB LYS 43 1HB LYS 43 64.910 8.580 -5.701 319 2HB LYS 43 2HB LYS 43 64.371 9.733 -6.922 320 1HG LYS 43 1HG LYS 43 66.702 10.799 -5.646 321 2HG LYS 43 2HG LYS 43 67.046 9.141 -6.135 322 1HD LYS 43 1HD LYS 43 67.546 10.817 -7.929 323 2HD LYS 43 2HD LYS 43 66.351 9.615 -8.417 324 1HE LYS 43 1HE LYS 43 64.552 11.146 -8.210 325 2HE LYS 43 2HE LYS 43 65.514 12.270 -7.228 326 1HZ LYS 43 1HZ LYS 43 67.072 12.297 -9.241 327 2HZ LYS 43 2HZ LYS 43 65.755 11.670 -10.112 328 3HZ LYS 43 3HZ LYS 43 65.625 13.181 -9.352 329 H VAL 44 H VAL 44 62.829 8.954 -3.639 330 HA VAL 44 HA VAL 44 60.380 9.686 -5.104 331 HB VAL 44 HB VAL 44 61.178 7.735 -2.942 332 1HG1 VAL 44 1HG1 VAL 44 58.547 8.868 -3.382 333 2HG1 VAL 44 2HG1 VAL 44 58.546 7.143 -3.751 334 3HG1 VAL 44 3HG1 VAL 44 59.065 7.704 -2.161 335 1HG2 VAL 44 1HG2 VAL 44 60.038 7.465 -5.743 336 2HG2 VAL 44 2HG2 VAL 44 61.706 7.151 -5.262 337 3HG2 VAL 44 3HG2 VAL 44 60.408 6.112 -4.672 338 H MET 45 H MET 45 61.867 10.317 -1.961 339 HA MET 45 HA MET 45 59.645 11.259 -0.496 340 1HB MET 45 1HB MET 45 62.593 11.739 -0.582 341 2HB MET 45 2HB MET 45 61.619 12.835 0.399 342 1HG MET 45 1HG MET 45 62.375 10.941 1.761 343 2HG MET 45 2HG MET 45 60.624 10.884 1.564 344 1HE MET 45 1HE MET 45 59.364 9.597 0.536 345 2HE MET 45 2HE MET 45 59.783 9.130 -1.111 346 3HE MET 45 3HE MET 45 59.668 7.899 0.144 347 H ARG 46 H ARG 46 61.758 13.042 -2.768 348 HA ARG 46 HA ARG 46 60.401 15.576 -2.439 349 1HB ARG 46 1HB ARG 46 62.537 14.346 -4.022 350 2HB ARG 46 2HB ARG 46 61.624 15.546 -4.938 351 1HG ARG 46 1HG ARG 46 61.910 17.120 -2.973 352 2HG ARG 46 2HG ARG 46 63.031 15.945 -2.287 353 1HD ARG 46 1HD ARG 46 64.240 16.084 -4.600 354 2HD ARG 46 2HD ARG 46 63.347 17.608 -4.782 355 HE ARG 46 HE ARG 46 64.535 17.463 -2.162 356 1HH1 ARG 46 1HH1 ARG 46 64.490 19.732 -4.289 357 2HH1 ARG 46 2HH1 ARG 46 66.192 19.956 -4.524 358 1HH2 ARG 46 1HH2 ARG 46 67.068 16.981 -2.977 359 2HH2 ARG 46 2HH2 ARG 46 67.650 18.398 -3.782 360 H MET 47 H MET 47 60.047 12.857 -4.703 361 HA MET 47 HA MET 47 58.237 14.080 -6.541 362 1HB MET 47 1HB MET 47 59.372 11.519 -5.924 363 2HB MET 47 2HB MET 47 57.639 11.309 -6.179 364 1HG MET 47 1HG MET 47 57.757 11.894 -8.389 365 2HG MET 47 2HG MET 47 59.035 13.078 -8.113 366 1HE MET 47 1HE MET 47 58.292 9.718 -7.114 367 2HE MET 47 2HE MET 47 58.910 8.705 -8.416 368 3HE MET 47 3HE MET 47 59.889 8.971 -6.976 369 H LEU 48 H LEU 48 57.734 12.537 -3.395 370 HA LEU 48 HA LEU 48 54.821 12.525 -3.582 371 1HB LEU 48 1HB LEU 48 56.736 12.282 -1.238 372 2HB LEU 48 2HB LEU 48 55.029 11.840 -1.214 373 HG LEU 48 HG LEU 48 56.783 10.641 -3.325 374 1HD1 LEU 48 1HD1 LEU 48 56.888 10.086 -0.382 375 2HD1 LEU 48 2HD1 LEU 48 57.010 8.726 -1.499 376 3HD1 LEU 48 3HD1 LEU 48 58.186 10.039 -1.577 377 1HD2 LEU 48 1HD2 LEU 48 54.277 10.319 -3.186 378 2HD2 LEU 48 2HD2 LEU 48 55.202 8.819 -3.135 379 3HD2 LEU 48 3HD2 LEU 48 54.530 9.491 -1.650 380 H GLY 49 H GLY 49 57.259 14.828 -2.667 381 1HA GLY 49 1HA GLY 49 56.559 17.209 -2.585 382 2HA GLY 49 2HA GLY 49 55.100 16.681 -1.745 383 H GLN 50 H GLN 50 58.080 15.134 -0.896 384 HA GLN 50 HA GLN 50 58.242 16.820 1.582 385 1HB GLN 50 1HB GLN 50 57.630 14.007 1.171 386 2HB GLN 50 2HB GLN 50 59.048 14.200 2.205 387 1HG GLN 50 1HG GLN 50 57.684 14.710 3.917 388 2HG GLN 50 2HG GLN 50 57.171 16.152 3.040 389 1HE2 GLN 50 2HE2 GLN 50 56.540 12.597 2.787 390 2HE2 GLN 50 1HE2 GLN 50 54.863 12.766 2.592 391 H ASN 51 H ASN 51 60.438 15.661 2.739 392 HA ASN 51 HA ASN 51 62.643 15.020 1.047 393 1HB ASN 51 1HB ASN 51 62.317 17.193 0.064 394 2HB ASN 51 2HB ASN 51 62.149 17.949 1.649 395 1HD2 ASN 51 2HD2 ASN 51 64.520 16.370 -0.514 396 2HD2 ASN 51 1HD2 ASN 51 65.890 17.039 0.234 397 HA PRO 52 HA PRO 52 63.282 14.715 5.590 398 1HB PRO 52 1HB PRO 52 64.365 12.202 5.500 399 2HB PRO 52 2HB PRO 52 62.617 12.501 5.574 400 1HG PRO 52 1HG PRO 52 64.319 11.812 3.231 401 2HG PRO 52 2HG PRO 52 62.684 11.269 3.638 402 1HD PRO 52 1HD PRO 52 63.204 13.200 1.788 403 2HD PRO 52 2HD PRO 52 61.698 13.126 2.730 404 H THR 53 H THR 53 65.430 14.244 6.738 405 HA THR 53 HA THR 53 67.604 15.580 5.311 406 HB THR 53 HB THR 53 68.683 14.803 7.640 407 HG1 THR 53 HG1 THR 53 66.757 14.808 9.098 408 1HG2 THR 53 1HG2 THR 53 67.425 17.081 6.664 409 2HG2 THR 53 2HG2 THR 53 66.588 16.762 8.184 410 3HG2 THR 53 3HG2 THR 53 68.340 16.970 8.167 411 HA PRO 54 HA PRO 54 69.934 12.085 4.045 412 1HB PRO 54 1HB PRO 54 72.487 12.696 4.825 413 2HB PRO 54 2HB PRO 54 71.666 13.515 3.481 414 1HG PRO 54 1HG PRO 54 72.083 14.427 6.283 415 2HG PRO 54 2HG PRO 54 72.139 15.351 4.774 416 1HD PRO 54 1HD PRO 54 70.011 15.375 6.481 417 2HD PRO 54 2HD PRO 54 69.874 15.672 4.734 418 H GLU 55 H GLU 55 70.556 13.095 7.397 419 HA GLU 55 HA GLU 55 71.649 10.550 8.266 420 1HB GLU 55 1HB GLU 55 70.630 13.097 9.482 421 2HB GLU 55 2HB GLU 55 70.886 11.705 10.535 422 1HG GLU 55 1HG GLU 55 73.076 12.214 10.587 423 2HG GLU 55 2HG GLU 55 73.160 11.841 8.865 424 H GLU 56 H GLU 56 68.421 11.906 7.958 425 HA GLU 56 HA GLU 56 67.115 9.888 9.623 426 1HB GLU 56 1HB GLU 56 66.235 12.024 7.668 427 2HB GLU 56 2HB GLU 56 65.080 10.969 8.484 428 1HG GLU 56 1HG GLU 56 67.063 12.846 9.800 429 2HG GLU 56 2HG GLU 56 65.306 13.004 9.789 430 H LEU 57 H LEU 57 67.490 10.460 6.111 431 HA LEU 57 HA LEU 57 65.898 8.493 4.991 432 1HB LEU 57 1HB LEU 57 68.303 9.957 4.355 433 2HB LEU 57 2HB LEU 57 68.436 8.314 3.728 434 HG LEU 57 HG LEU 57 66.070 10.152 3.263 435 1HD1 LEU 57 1HD1 LEU 57 68.569 10.344 2.111 436 2HD1 LEU 57 2HD1 LEU 57 67.713 9.301 0.977 437 3HD1 LEU 57 3HD1 LEU 57 67.069 10.895 1.366 438 1HD2 LEU 57 1HD2 LEU 57 65.710 7.622 3.287 439 2HD2 LEU 57 2HD2 LEU 57 65.261 8.442 1.791 440 3HD2 LEU 57 3HD2 LEU 57 66.778 7.550 1.885 441 H GLN 58 H GLN 58 69.267 7.946 6.111 442 HA GLN 58 HA GLN 58 69.395 5.163 5.745 443 1HB GLN 58 1HB GLN 58 70.667 7.239 7.421 444 2HB GLN 58 2HB GLN 58 70.798 5.603 8.067 445 1HG GLN 58 1HG GLN 58 71.297 5.417 5.281 446 2HG GLN 58 2HG GLN 58 72.243 6.780 5.878 447 1HE2 GLN 58 2HE2 GLN 58 72.111 3.341 5.723 448 2HE2 GLN 58 1HE2 GLN 58 73.392 3.022 6.792 449 H GLU 59 H GLU 59 67.721 7.024 8.224 450 HA GLU 59 HA GLU 59 67.268 4.944 10.134 451 1HB GLU 59 1HB GLU 59 66.784 7.583 9.995 452 2HB GLU 59 2HB GLU 59 65.178 7.003 9.548 453 1HG GLU 59 1HG GLU 59 64.740 6.599 11.716 454 2HG GLU 59 2HG GLU 59 66.055 5.425 11.745 455 H MET 60 H MET 60 65.556 5.895 7.174 456 HA MET 60 HA MET 60 63.294 4.148 7.457 457 1HB MET 60 1HB MET 60 64.437 6.001 5.599 458 2HB MET 60 2HB MET 60 64.067 4.518 4.719 459 1HG MET 60 1HG MET 60 61.951 5.305 6.593 460 2HG MET 60 2HG MET 60 62.243 6.501 5.331 461 1HE MET 60 1HE MET 60 62.853 5.614 2.855 462 2HE MET 60 2HE MET 60 61.441 4.912 2.070 463 3HE MET 60 3HE MET 60 61.277 6.378 3.046 464 H ILE 61 H ILE 61 66.601 3.661 6.398 465 HA ILE 61 HA ILE 61 66.062 1.010 5.230 466 HB ILE 61 HB ILE 61 68.473 2.766 5.722 467 1HG1 ILE 61 1HG1 ILE 61 68.449 2.245 3.090 468 2HG1 ILE 61 2HG1 ILE 61 66.735 1.991 3.421 469 1HG2 ILE 61 1HG2 ILE 61 68.386 -0.123 5.348 470 2HG2 ILE 61 2HG2 ILE 61 69.271 0.676 4.049 471 3HG2 ILE 61 3HG2 ILE 61 69.762 0.913 5.725 472 1HD1 ILE 61 1HD1 ILE 61 66.736 4.233 4.603 473 2HD1 ILE 61 2HD1 ILE 61 68.361 4.487 3.965 474 3HD1 ILE 61 3HD1 ILE 61 66.995 4.314 2.861 475 H ASP 62 H ASP 62 67.801 2.336 8.064 476 HA ASP 62 HA ASP 62 68.569 -0.202 9.172 477 1HB ASP 62 1HB ASP 62 68.783 2.589 9.716 478 2HB ASP 62 2HB ASP 62 68.151 1.821 11.173 479 H GLU 63 H GLU 63 65.537 1.418 9.010 480 HA GLU 63 HA GLU 63 64.329 0.404 11.435 481 1HB GLU 63 1HB GLU 63 63.512 2.348 10.164 482 2HB GLU 63 2HB GLU 63 63.181 1.314 8.774 483 1HG GLU 63 1HG GLU 63 61.078 1.407 9.769 484 2HG GLU 63 2HG GLU 63 61.739 -0.049 10.511 485 H VAL 64 H VAL 64 64.664 -0.824 8.133 486 HA VAL 64 HA VAL 64 63.326 -3.363 9.013 487 HB VAL 64 HB VAL 64 62.772 -3.526 6.527 488 1HG1 VAL 64 1HG1 VAL 64 61.223 -2.667 8.360 489 2HG1 VAL 64 2HG1 VAL 64 61.681 -1.038 7.863 490 3HG1 VAL 64 3HG1 VAL 64 60.852 -2.106 6.730 491 1HG2 VAL 64 1HG2 VAL 64 64.624 -1.571 6.228 492 2HG2 VAL 64 2HG2 VAL 64 63.313 -1.832 5.077 493 3HG2 VAL 64 3HG2 VAL 64 63.163 -0.586 6.315 494 H ASP 65 H ASP 65 66.157 -2.791 9.318 495 HA ASP 65 HA ASP 65 67.349 -4.565 7.214 496 1HB ASP 65 1HB ASP 65 68.025 -2.042 7.789 497 2HB ASP 65 2HB ASP 65 68.976 -2.844 9.042 498 H GLU 66 H GLU 66 67.081 -6.599 8.206 499 HA GLU 66 HA GLU 66 67.785 -6.964 11.051 500 1HB GLU 66 1HB GLU 66 65.945 -8.058 9.398 501 2HB GLU 66 2HB GLU 66 67.236 -9.246 9.221 502 1HG GLU 66 1HG GLU 66 67.173 -9.853 11.469 503 2HG GLU 66 2HG GLU 66 66.478 -8.310 11.970 504 H ASP 67 H ASP 67 69.746 -6.391 8.630 505 HA ASP 67 HA ASP 67 71.724 -8.480 9.459 506 1HB ASP 67 1HB ASP 67 72.424 -8.357 6.966 507 2HB ASP 67 2HB ASP 67 70.937 -9.227 7.346 508 H GLY 68 H GLY 68 71.025 -5.279 9.461 509 1HA GLY 68 1HA GLY 68 72.307 -3.303 9.454 510 2HA GLY 68 2HA GLY 68 73.526 -4.324 10.217 511 H SER 69 H SER 69 72.180 -4.291 6.903 512 HA SER 69 HA SER 69 74.902 -4.590 5.804 513 1HB SER 69 1HB SER 69 73.506 -4.674 3.658 514 2HB SER 69 2HB SER 69 73.154 -5.921 4.851 515 HG SER 69 HG SER 69 71.774 -3.448 4.632 516 H GLY 70 H GLY 70 72.413 -2.104 6.091 517 1HA GLY 70 1HA GLY 70 73.065 0.258 6.059 518 2HA GLY 70 2HA GLY 70 74.345 -0.158 4.918 519 H THR 71 H THR 71 72.373 -1.952 3.459 520 HA THR 71 HA THR 71 70.880 0.233 2.040 521 HB THR 71 HB THR 71 71.345 -1.089 -0.001 522 HG1 THR 71 HG1 THR 71 71.627 -3.037 1.606 523 1HG2 THR 71 1HG2 THR 71 73.473 -0.057 1.782 524 2HG2 THR 71 2HG2 THR 71 74.021 -1.063 0.441 525 3HG2 THR 71 3HG2 THR 71 73.077 0.393 0.123 526 H VAL 72 H VAL 72 69.061 -0.894 0.612 527 HA VAL 72 HA VAL 72 67.747 -3.039 2.250 528 HB VAL 72 HB VAL 72 66.646 -0.475 1.072 529 1HG1 VAL 72 1HG1 VAL 72 65.176 -2.850 2.249 530 2HG1 VAL 72 2HG1 VAL 72 64.440 -1.276 1.950 531 3HG1 VAL 72 3HG1 VAL 72 65.040 -2.240 0.600 532 1HG2 VAL 72 1HG2 VAL 72 67.813 -0.695 3.415 533 2HG2 VAL 72 2HG2 VAL 72 66.287 0.181 3.292 534 3HG2 VAL 72 3HG2 VAL 72 66.305 -1.479 3.887 535 H ASP 73 H ASP 73 66.042 -4.222 0.955 536 HA ASP 73 HA ASP 73 66.413 -4.094 -1.997 537 1HB ASP 73 1HB ASP 73 66.725 -6.653 -1.860 538 2HB ASP 73 2HB ASP 73 68.092 -5.654 -1.366 539 H PHE 74 H PHE 74 64.936 -6.070 -2.894 540 HA PHE 74 HA PHE 74 62.229 -5.418 -2.421 541 1HB PHE 74 1HB PHE 74 63.265 -6.653 -4.358 542 2HB PHE 74 2HB PHE 74 63.398 -8.072 -3.319 543 HD1 PHE 74 HD1 PHE 74 60.715 -5.494 -3.827 544 HD2 PHE 74 HD2 PHE 74 61.785 -9.653 -3.889 545 HE1 PHE 74 HE1 PHE 74 58.364 -6.092 -4.343 546 HE2 PHE 74 HE2 PHE 74 59.435 -10.251 -4.405 547 HZ PHE 74 HZ PHE 74 57.725 -8.471 -4.631 548 H ASP 75 H ASP 75 64.387 -7.322 -0.514 549 HA ASP 75 HA ASP 75 62.276 -8.900 0.803 550 1HB ASP 75 1HB ASP 75 64.796 -9.438 0.280 551 2HB ASP 75 2HB ASP 75 65.102 -8.548 1.771 552 H GLU 76 H GLU 76 64.757 -6.658 2.104 553 HA GLU 76 HA GLU 76 63.405 -6.182 4.576 554 1HB GLU 76 1HB GLU 76 65.408 -4.549 2.983 555 2HB GLU 76 2HB GLU 76 65.023 -4.273 4.683 556 1HG GLU 76 1HG GLU 76 65.780 -6.535 5.248 557 2HG GLU 76 2HG GLU 76 66.110 -6.867 3.547 558 H PHE 77 H PHE 77 63.063 -4.719 1.397 559 HA PHE 77 HA PHE 77 61.737 -2.293 2.163 560 1HB PHE 77 1HB PHE 77 62.641 -2.573 -0.041 561 2HB PHE 77 2HB PHE 77 61.725 -4.058 -0.299 562 HD1 PHE 77 HD1 PHE 77 61.227 -0.420 0.456 563 HD2 PHE 77 HD2 PHE 77 59.661 -3.964 -1.398 564 HE1 PHE 77 HE1 PHE 77 59.350 0.902 -0.484 565 HE2 PHE 77 HE2 PHE 77 57.784 -2.642 -2.338 566 HZ PHE 77 HZ PHE 77 57.628 -0.209 -1.881 567 H LEU 78 H LEU 78 60.496 -5.541 1.355 568 HA LEU 78 HA LEU 78 57.728 -5.015 1.375 569 1HB LEU 78 1HB LEU 78 59.559 -7.300 1.866 570 2HB LEU 78 2HB LEU 78 57.911 -7.500 2.463 571 HG LEU 78 HG LEU 78 58.487 -6.539 -0.342 572 1HD1 LEU 78 1HD1 LEU 78 58.177 -9.371 0.692 573 2HD1 LEU 78 2HD1 LEU 78 57.988 -8.931 -1.006 574 3HD1 LEU 78 3HD1 LEU 78 59.542 -8.704 -0.202 575 1HD2 LEU 78 1HD2 LEU 78 56.166 -6.730 1.220 576 2HD2 LEU 78 2HD2 LEU 78 56.238 -6.502 -0.528 577 3HD2 LEU 78 3HD2 LEU 78 56.097 -8.126 0.144 578 H VAL 79 H VAL 79 59.757 -6.059 4.144 579 HA VAL 79 HA VAL 79 57.824 -6.021 6.175 580 HB VAL 79 HB VAL 79 60.760 -5.308 6.072 581 1HG1 VAL 79 1HG1 VAL 79 58.885 -4.792 8.205 582 2HG1 VAL 79 2HG1 VAL 79 60.038 -6.028 8.709 583 3HG1 VAL 79 3HG1 VAL 79 60.615 -4.458 8.151 584 1HG2 VAL 79 1HG2 VAL 79 59.135 -7.724 6.898 585 2HG2 VAL 79 2HG2 VAL 79 60.359 -7.621 5.632 586 3HG2 VAL 79 3HG2 VAL 79 60.836 -7.540 7.328 587 H MET 80 H MET 80 59.534 -3.297 4.689 588 HA MET 80 HA MET 80 58.735 -1.289 6.588 589 1HB MET 80 1HB MET 80 60.418 -1.490 4.451 590 2HB MET 80 2HB MET 80 59.102 -0.550 3.743 591 1HG MET 80 1HG MET 80 59.655 0.461 6.373 592 2HG MET 80 2HG MET 80 61.165 0.375 5.467 593 1HE MET 80 1HE MET 80 60.990 0.524 3.037 594 2HE MET 80 2HE MET 80 59.842 1.487 2.095 595 3HE MET 80 3HE MET 80 61.284 2.241 2.770 596 H MET 81 H MET 81 56.993 -2.973 4.130 597 HA MET 81 HA MET 81 54.905 -0.845 3.982 598 1HB MET 81 1HB MET 81 55.520 -3.366 2.419 599 2HB MET 81 2HB MET 81 54.076 -2.394 2.135 600 1HG MET 81 1HG MET 81 56.505 -0.769 2.237 601 2HG MET 81 2HG MET 81 56.563 -1.986 0.961 602 1HE MET 81 1HE MET 81 55.529 1.031 2.361 603 2HE MET 81 2HE MET 81 55.941 1.676 0.766 604 3HE MET 81 3HE MET 81 54.291 1.797 1.371 605 H VAL 82 H VAL 82 55.610 -3.446 5.911 606 HA VAL 82 HA VAL 82 52.806 -4.436 6.111 607 HB VAL 82 HB VAL 82 55.332 -5.332 7.532 608 1HG1 VAL 82 1HG1 VAL 82 52.615 -6.576 7.047 609 2HG1 VAL 82 2HG1 VAL 82 54.011 -7.506 7.592 610 3HG1 VAL 82 3HG1 VAL 82 53.368 -6.207 8.598 611 1HG2 VAL 82 1HG2 VAL 82 55.487 -5.364 5.003 612 2HG2 VAL 82 2HG2 VAL 82 55.638 -6.948 5.764 613 3HG2 VAL 82 3HG2 VAL 82 54.120 -6.478 5.000 614 H ARG 83 H ARG 83 55.316 -2.773 7.992 615 HA ARG 83 HA ARG 83 53.973 -2.733 10.516 616 1HB ARG 83 1HB ARG 83 56.030 -1.011 9.125 617 2HB ARG 83 2HB ARG 83 55.500 -0.655 10.770 618 1HG ARG 83 1HG ARG 83 56.195 -2.864 11.523 619 2HG ARG 83 2HG ARG 83 56.605 -3.333 9.873 620 1HD ARG 83 1HD ARG 83 58.588 -2.180 9.905 621 2HD ARG 83 2HD ARG 83 57.910 -0.851 10.868 622 HE ARG 83 HE ARG 83 57.902 -2.643 12.778 623 1HH1 ARG 83 1HH1 ARG 83 59.451 -4.385 10.651 624 2HH1 ARG 83 2HH1 ARG 83 61.047 -4.282 11.317 625 1HH2 ARG 83 1HH2 ARG 83 60.273 -1.663 13.453 626 2HH2 ARG 83 2HH2 ARG 83 61.512 -2.741 12.902 627 H CYS 84 H CYS 84 53.250 -1.117 7.572 628 HA CYS 84 HA CYS 84 51.614 0.940 9.011 629 1HB CYS 84 1HB CYS 84 51.745 2.141 6.848 630 2HB CYS 84 2HB CYS 84 53.355 1.737 7.442 631 HG CYS 84 HG CYS 84 52.912 -0.508 5.776 632 H MET 85 H MET 85 50.449 -1.541 9.051 633 HA MET 85 HA MET 85 48.198 -1.207 7.127 634 1HB MET 85 1HB MET 85 50.173 -3.433 7.336 635 2HB MET 85 2HB MET 85 48.495 -3.878 7.030 636 1HG MET 85 1HG MET 85 48.772 -1.823 5.276 637 2HG MET 85 2HG MET 85 50.419 -2.453 5.284 638 1HE MET 85 1HE MET 85 51.185 -4.623 4.632 639 2HE MET 85 2HE MET 85 50.444 -5.431 3.253 640 3HE MET 85 3HE MET 85 50.867 -3.715 3.155 641 H LYS 86 H LYS 86 47.752 -0.468 9.637 642 HA LYS 86 HA LYS 86 46.753 -2.836 11.162 643 1HB LYS 86 1HB LYS 86 46.792 -1.295 13.054 644 2HB LYS 86 2HB LYS 86 48.326 -1.169 12.192 645 1HG LYS 86 1HG LYS 86 46.335 0.641 11.085 646 2HG LYS 86 2HG LYS 86 46.599 0.942 12.805 647 1HD LYS 86 1HD LYS 86 49.082 0.926 12.332 648 2HD LYS 86 2HD LYS 86 48.687 0.888 10.613 649 1HE LYS 86 1HE LYS 86 48.028 3.084 10.589 650 2HE LYS 86 2HE LYS 86 47.292 2.980 12.201 651 1HZ LYS 86 1HZ LYS 86 50.214 2.740 11.850 652 2HZ LYS 86 2HZ LYS 86 49.486 4.267 11.963 653 3HZ LYS 86 3HZ LYS 86 49.341 3.160 13.245 654 H ASP 87 H ASP 87 44.991 -0.739 12.592 655 HA ASP 87 HA ASP 87 42.683 -0.216 12.499 656 1HB ASP 87 1HB ASP 87 44.193 1.113 10.555 657 2HB ASP 87 2HB ASP 87 42.774 0.535 9.680 658 H ASP 88 H ASP 88 42.751 -2.863 12.331 659 HA ASP 88 HA ASP 88 41.551 -3.798 9.786 660 1HB ASP 88 1HB ASP 88 43.335 -4.876 11.493 661 2HB ASP 88 2HB ASP 88 41.854 -5.529 12.196 662 H SER 89 H SER 89 39.790 -2.022 10.849 663 HA SER 89 HA SER 89 37.616 -3.782 11.904 664 1HB SER 89 1HB SER 89 37.246 -1.335 13.156 665 2HB SER 89 2HB SER 89 37.962 -2.760 13.903 666 HG SER 89 HG SER 89 39.220 -0.719 13.911 667 1H ARG 1 1H ARG 1 58.084 9.363 7.442 668 2H ARG 1 2H ARG 1 57.623 9.194 9.068 669 3H ARG 1 3H ARG 1 59.140 8.635 8.556 670 HA ARG 1 HA ARG 1 58.329 6.690 7.814 671 1HB ARG 1 1HB ARG 1 55.991 7.812 9.395 672 2HB ARG 1 2HB ARG 1 56.239 6.101 9.045 673 1HG ARG 1 1HG ARG 1 58.683 7.065 10.106 674 2HG ARG 1 2HG ARG 1 57.404 7.691 11.146 675 1HD ARG 1 1HD ARG 1 57.670 4.776 10.327 676 2HD ARG 1 2HD ARG 1 58.172 5.438 11.895 677 HE ARG 1 HE ARG 1 55.619 6.339 11.763 678 1HH1 ARG 1 1HH1 ARG 1 56.115 3.665 9.893 679 2HH1 ARG 1 2HH1 ARG 1 55.102 2.591 10.799 680 1HH2 ARG 1 1HH2 ARG 1 54.693 4.788 13.450 681 2HH2 ARG 1 2HH2 ARG 1 54.298 3.227 12.813 682 H ILE 2 H ILE 2 58.122 6.987 5.524 683 HA ILE 2 HA ILE 2 56.111 8.353 4.119 684 HB ILE 2 HB ILE 2 58.155 7.282 3.191 685 1HG1 ILE 2 1HG1 ILE 2 55.621 6.204 1.916 686 2HG1 ILE 2 2HG1 ILE 2 56.182 7.867 1.743 687 1HG2 ILE 2 1HG2 ILE 2 57.738 5.156 4.602 688 2HG2 ILE 2 2HG2 ILE 2 56.642 4.671 3.308 689 3HG2 ILE 2 3HG2 ILE 2 58.351 4.932 2.963 690 1HD1 ILE 2 1HD1 ILE 2 58.426 6.762 0.980 691 2HD1 ILE 2 2HD1 ILE 2 57.426 5.337 0.696 692 3HD1 ILE 2 3HD1 ILE 2 57.082 6.840 -0.159 693 H SER 3 H SER 3 54.004 7.820 3.474 694 HA SER 3 HA SER 3 52.711 5.599 4.970 695 1HB SER 3 1HB SER 3 50.670 6.830 4.433 696 2HB SER 3 2HB SER 3 51.876 7.959 5.042 697 HG SER 3 HG SER 3 52.379 7.980 2.572 698 H ALA 4 H ALA 4 50.493 5.363 3.130 699 HA ALA 4 HA ALA 4 51.840 3.896 0.886 700 1HB ALA 4 1HB ALA 4 49.631 3.314 2.788 701 2HB ALA 4 2HB ALA 4 49.398 2.743 1.136 702 3HB ALA 4 3HB ALA 4 50.804 2.215 2.061 703 H ASP 5 H ASP 5 49.193 6.056 1.799 704 HA ASP 5 HA ASP 5 47.905 6.108 -0.793 705 1HB ASP 5 1HB ASP 5 47.323 6.915 1.740 706 2HB ASP 5 2HB ASP 5 47.769 8.460 1.014 707 H ALA 6 H ALA 6 50.013 8.501 0.862 708 HA ALA 6 HA ALA 6 50.315 10.269 -1.351 709 1HB ALA 6 1HB ALA 6 52.110 9.576 0.996 710 2HB ALA 6 2HB ALA 6 52.345 10.982 -0.041 711 3HB ALA 6 3HB ALA 6 50.889 10.847 0.944 712 H MET 7 H MET 7 52.097 7.343 -0.427 713 HA MET 7 HA MET 7 54.337 7.503 -2.120 714 1HB MET 7 1HB MET 7 53.009 5.630 -0.496 715 2HB MET 7 2HB MET 7 53.133 4.856 -2.075 716 1HG MET 7 1HG MET 7 55.625 6.060 -1.717 717 2HG MET 7 2HG MET 7 55.228 5.411 -0.124 718 1HE MET 7 1HE MET 7 55.354 4.960 -3.784 719 2HE MET 7 2HE MET 7 56.992 4.433 -3.407 720 3HE MET 7 3HE MET 7 55.842 3.288 -4.091 721 H MET 8 H MET 8 51.081 6.224 -2.886 722 HA MET 8 HA MET 8 51.787 5.850 -5.720 723 1HB MET 8 1HB MET 8 49.137 5.658 -4.253 724 2HB MET 8 2HB MET 8 49.513 4.959 -5.827 725 1HG MET 8 1HG MET 8 50.864 4.231 -3.211 726 2HG MET 8 2HG MET 8 49.659 3.253 -4.049 727 1HE MET 8 1HE MET 8 52.743 3.144 -3.016 728 2HE MET 8 2HE MET 8 53.909 2.723 -4.268 729 3HE MET 8 3HE MET 8 53.477 4.412 -4.008 730 H GLN 9 H GLN 9 50.837 8.465 -3.814 731 HA GLN 9 HA GLN 9 48.998 9.791 -5.625 732 1HB GLN 9 1HB GLN 9 49.234 10.160 -3.156 733 2HB GLN 9 2HB GLN 9 50.808 10.900 -3.456 734 1HG GLN 9 1HG GLN 9 49.518 12.807 -3.495 735 2HG GLN 9 2HG GLN 9 49.359 12.343 -5.189 736 1HE2 GLN 9 2HE2 GLN 9 47.711 12.043 -2.013 737 2HE2 GLN 9 1HE2 GLN 9 46.158 11.838 -2.666 738 H ALA 10 H ALA 10 52.482 10.259 -4.905 739 HA ALA 10 HA ALA 10 52.763 12.166 -7.128 740 1HB ALA 10 1HB ALA 10 54.437 11.019 -4.923 741 2HB ALA 10 2HB ALA 10 55.249 11.806 -6.276 742 3HB ALA 10 3HB ALA 10 54.090 12.707 -5.298 743 H LEU 11 H LEU 11 54.137 8.937 -6.340 744 HA LEU 11 HA LEU 11 54.756 8.637 -9.257 745 1HB LEU 11 1HB LEU 11 56.385 6.859 -8.223 746 2HB LEU 11 2HB LEU 11 56.789 8.569 -8.095 747 HG LEU 11 HG LEU 11 55.151 7.317 -5.919 748 1HD1 LEU 11 1HD1 LEU 11 57.363 5.983 -6.594 749 2HD1 LEU 11 2HD1 LEU 11 58.131 7.284 -5.684 750 3HD1 LEU 11 3HD1 LEU 11 56.934 6.250 -4.904 751 1HD2 LEU 11 1HD2 LEU 11 56.500 9.793 -6.445 752 2HD2 LEU 11 2HD2 LEU 11 55.525 9.359 -5.041 753 3HD2 LEU 11 3HD2 LEU 11 57.258 9.033 -5.046 754 H LEU 12 H LEU 12 55.129 5.911 -9.386 755 HA LEU 12 HA LEU 12 53.929 3.898 -9.660 756 1HB LEU 12 1HB LEU 12 52.655 4.991 -7.128 757 2HB LEU 12 2HB LEU 12 52.429 3.349 -7.717 758 HG LEU 12 HG LEU 12 54.170 3.072 -6.192 759 1HD1 LEU 12 1HD1 LEU 12 54.828 2.198 -8.414 760 2HD1 LEU 12 2HD1 LEU 12 55.598 3.742 -8.783 761 3HD1 LEU 12 3HD1 LEU 12 56.230 2.729 -7.485 762 1HD2 LEU 12 1HD2 LEU 12 54.384 5.610 -5.922 763 2HD2 LEU 12 2HD2 LEU 12 55.864 4.673 -5.718 764 3HD2 LEU 12 3HD2 LEU 12 55.569 5.539 -7.224 765 H GLY 13 H GLY 13 50.961 3.996 -8.567 766 1HA GLY 13 1HA GLY 13 49.256 5.762 -9.644 767 2HA GLY 13 2HA GLY 13 49.860 5.005 -11.118 768 H ALA 14 H ALA 14 47.748 4.127 -11.568 769 HA ALA 14 HA ALA 14 47.093 1.743 -9.873 770 1HB ALA 14 1HB ALA 14 45.677 3.977 -9.717 771 2HB ALA 14 2HB ALA 14 44.965 3.379 -11.216 772 3HB ALA 14 3HB ALA 14 44.862 2.413 -9.744 773 H ARG 15 H ARG 15 45.411 0.340 -11.207 774 HA ARG 15 HA ARG 15 46.665 -0.223 -13.811 775 1HB ARG 15 1HB ARG 15 44.273 -1.534 -12.492 776 2HB ARG 15 2HB ARG 15 45.378 -2.248 -13.667 777 1HG ARG 15 1HG ARG 15 46.161 -1.339 -10.881 778 2HG ARG 15 2HG ARG 15 45.861 -3.011 -11.351 779 1HD ARG 15 1HD ARG 15 47.697 -2.888 -13.004 780 2HD ARG 15 2HD ARG 15 48.007 -1.207 -12.528 781 HE ARG 15 HE ARG 15 48.752 -1.991 -10.364 782 1HH1 ARG 15 1HH1 ARG 15 46.802 -4.357 -10.297 783 2HH1 ARG 15 2HH1 ARG 15 47.906 -5.690 -10.361 784 1HH2 ARG 15 1HH2 ARG 15 50.591 -3.760 -11.401 785 2HH2 ARG 15 2HH2 ARG 15 50.050 -5.352 -10.987 786 H ALA 16 H ALA 16 45.340 -0.428 -15.789 787 HA ALA 16 HA ALA 16 43.758 0.396 -17.343 788 1HB ALA 16 1HB ALA 16 42.349 -0.756 -15.541 789 2HB ALA 16 2HB ALA 16 42.066 0.852 -14.872 790 3HB ALA 16 3HB ALA 16 41.514 0.464 -16.502 791 H LYS 17 H LYS 17 44.139 2.380 -18.256 792 HA LYS 17 HA LYS 17 43.813 4.813 -16.528 793 1HB LYS 17 1HB LYS 17 45.948 3.947 -18.459 794 2HB LYS 17 2HB LYS 17 45.655 5.669 -18.207 795 1HG LYS 17 1HG LYS 17 46.098 5.481 -15.850 796 2HG LYS 17 2HG LYS 17 46.130 3.720 -15.939 797 1HD LYS 17 1HD LYS 17 48.315 3.747 -16.468 798 2HD LYS 17 2HD LYS 17 47.999 4.805 -17.842 799 1HE LYS 17 1HE LYS 17 49.416 6.147 -16.534 800 2HE LYS 17 2HE LYS 17 47.819 6.672 -15.962 801 1HZ LYS 17 1HZ LYS 17 47.952 4.877 -14.275 802 2HZ LYS 17 2HZ LYS 17 49.560 4.595 -14.745 803 3HZ LYS 17 3HZ LYS 17 49.122 6.087 -14.061 Start of MODEL 8 1 1H MET 1 1H MET 1 60.691 -18.020 20.125 2 2H MET 1 2H MET 1 62.357 -17.709 20.186 3 3H MET 1 3H MET 1 61.347 -17.167 21.441 4 HA MET 1 HA MET 1 60.267 -15.599 19.983 5 1HB MET 1 1HB MET 1 62.525 -15.253 21.180 6 2HB MET 1 2HB MET 1 63.262 -15.454 19.589 7 1HG MET 1 1HG MET 1 61.194 -13.662 19.114 8 2HG MET 1 2HG MET 1 61.815 -13.161 20.687 9 1HE MET 1 1HE MET 1 64.405 -13.367 21.137 10 2HE MET 1 2HE MET 1 65.400 -12.242 20.216 11 3HE MET 1 3HE MET 1 63.900 -11.688 20.971 12 H ASP 2 H ASP 2 60.183 -14.634 17.818 13 HA ASP 2 HA ASP 2 61.615 -15.823 15.579 14 1HB ASP 2 1HB ASP 2 59.642 -16.973 14.623 15 2HB ASP 2 2HB ASP 2 60.051 -17.636 16.205 16 H ASP 3 H ASP 3 61.138 -14.690 13.600 17 HA ASP 3 HA ASP 3 60.218 -11.978 13.902 18 1HB ASP 3 1HB ASP 3 60.520 -13.618 11.369 19 2HB ASP 3 2HB ASP 3 60.693 -11.870 11.535 20 H ILE 4 H ILE 4 58.062 -11.598 14.340 21 HA ILE 4 HA ILE 4 55.899 -13.321 13.530 22 HB ILE 4 HB ILE 4 56.114 -10.460 14.500 23 1HG1 ILE 4 1HG1 ILE 4 54.776 -12.190 16.309 24 2HG1 ILE 4 2HG1 ILE 4 56.199 -13.062 15.738 25 1HG2 ILE 4 1HG2 ILE 4 54.029 -10.809 13.172 26 2HG2 ILE 4 2HG2 ILE 4 53.614 -12.156 14.232 27 3HG2 ILE 4 3HG2 ILE 4 53.704 -10.519 14.881 28 1HD1 ILE 4 1HD1 ILE 4 56.666 -10.216 16.380 29 2HD1 ILE 4 2HD1 ILE 4 56.249 -11.230 17.762 30 3HD1 ILE 4 3HD1 ILE 4 57.645 -11.633 16.763 31 H TYR 5 H TYR 5 56.460 -9.933 12.510 32 HA TYR 5 HA TYR 5 54.759 -9.733 10.357 33 1HB TYR 5 1HB TYR 5 57.595 -8.783 10.776 34 2HB TYR 5 2HB TYR 5 56.635 -8.258 9.393 35 HD1 TYR 5 HD1 TYR 5 54.297 -7.257 9.879 36 HD2 TYR 5 HD2 TYR 5 57.358 -7.712 12.857 37 HE1 TYR 5 HE1 TYR 5 53.159 -5.578 11.306 38 HE2 TYR 5 HE2 TYR 5 56.221 -6.032 14.283 39 HH TYR 5 HH TYR 5 53.780 -3.997 13.136 40 H LYS 6 H LYS 6 57.959 -11.321 10.316 41 HA LYS 6 HA LYS 6 58.338 -11.822 7.619 42 1HB LYS 6 1HB LYS 6 59.924 -13.234 8.449 43 2HB LYS 6 2HB LYS 6 59.376 -12.681 10.027 44 1HG LYS 6 1HG LYS 6 57.901 -14.584 10.258 45 2HG LYS 6 2HG LYS 6 58.192 -15.075 8.590 46 1HD LYS 6 1HD LYS 6 60.724 -14.811 9.905 47 2HD LYS 6 2HD LYS 6 59.675 -15.811 10.912 48 1HE LYS 6 1HE LYS 6 59.691 -17.531 9.410 49 2HE LYS 6 2HE LYS 6 59.533 -16.434 8.024 50 1HZ LYS 6 1HZ LYS 6 62.010 -16.647 9.642 51 2HZ LYS 6 2HZ LYS 6 61.753 -17.563 8.239 52 3HZ LYS 6 3HZ LYS 6 61.810 -15.868 8.146 53 H ALA 7 H ALA 7 55.823 -13.127 9.669 54 HA ALA 7 HA ALA 7 55.058 -15.333 7.947 55 1HB ALA 7 1HB ALA 7 54.328 -14.111 10.453 56 2HB ALA 7 2HB ALA 7 52.871 -14.394 9.501 57 3HB ALA 7 3HB ALA 7 53.953 -15.735 9.877 58 H ALA 8 H ALA 8 53.896 -11.981 8.363 59 HA ALA 8 HA ALA 8 51.695 -12.080 6.565 60 1HB ALA 8 1HB ALA 8 52.646 -10.283 8.254 61 2HB ALA 8 2HB ALA 8 53.484 -9.679 6.825 62 3HB ALA 8 3HB ALA 8 51.722 -9.758 6.847 63 H VAL 9 H VAL 9 55.138 -11.357 5.977 64 HA VAL 9 HA VAL 9 55.057 -10.576 3.282 65 HB VAL 9 HB VAL 9 57.072 -12.443 4.565 66 1HG1 VAL 9 1HG1 VAL 9 57.166 -11.766 2.063 67 2HG1 VAL 9 2HG1 VAL 9 57.597 -10.164 2.661 68 3HG1 VAL 9 3HG1 VAL 9 58.626 -11.549 3.029 69 1HG2 VAL 9 1HG2 VAL 9 56.414 -9.569 5.053 70 2HG2 VAL 9 2HG2 VAL 9 57.003 -10.792 6.180 71 3HG2 VAL 9 3HG2 VAL 9 58.116 -10.033 5.042 72 H GLU 10 H GLU 10 55.142 -13.886 4.621 73 HA GLU 10 HA GLU 10 55.042 -15.144 1.989 74 1HB GLU 10 1HB GLU 10 56.135 -16.336 3.715 75 2HB GLU 10 2HB GLU 10 54.852 -15.999 4.877 76 1HG GLU 10 1HG GLU 10 53.488 -17.665 4.070 77 2HG GLU 10 2HG GLU 10 54.105 -17.518 2.424 78 H GLN 11 H GLN 11 52.714 -13.965 4.307 79 HA GLN 11 HA GLN 11 50.483 -15.527 3.159 80 1HB GLN 11 1HB GLN 11 50.998 -13.673 5.445 81 2HB GLN 11 2HB GLN 11 49.335 -13.805 4.869 82 1HG GLN 11 1HG GLN 11 49.208 -16.096 5.366 83 2HG GLN 11 2HG GLN 11 50.962 -16.283 5.394 84 1HE2 GLN 11 2HE2 GLN 11 48.806 -16.799 7.542 85 2HE2 GLN 11 1HE2 GLN 11 49.374 -15.954 8.900 86 H LEU 12 H LEU 12 52.025 -12.467 2.680 87 HA LEU 12 HA LEU 12 49.894 -10.831 1.779 88 1HB LEU 12 1HB LEU 12 52.836 -11.097 1.287 89 2HB LEU 12 2HB LEU 12 51.919 -10.005 0.248 90 HG LEU 12 HG LEU 12 51.597 -9.889 3.239 91 1HD1 LEU 12 1HD1 LEU 12 54.059 -9.546 2.021 92 2HD1 LEU 12 2HD1 LEU 12 53.415 -7.906 2.070 93 3HD1 LEU 12 3HD1 LEU 12 53.576 -8.834 3.560 94 1HD2 LEU 12 1HD2 LEU 12 50.038 -8.704 1.637 95 2HD2 LEU 12 2HD2 LEU 12 50.868 -7.635 2.767 96 3HD2 LEU 12 3HD2 LEU 12 51.420 -7.753 1.096 97 H THR 13 H THR 13 48.439 -11.337 0.189 98 HA THR 13 HA THR 13 48.561 -13.430 -1.666 99 HB THR 13 HB THR 13 46.889 -12.003 -2.917 100 HG1 THR 13 HG1 THR 13 48.087 -10.036 -2.239 101 1HG2 THR 13 1HG2 THR 13 46.694 -13.200 -0.431 102 2HG2 THR 13 2HG2 THR 13 46.054 -11.583 -0.140 103 3HG2 THR 13 3HG2 THR 13 45.336 -12.603 -1.386 104 H GLU 14 H GLU 14 48.732 -13.118 -4.135 105 HA GLU 14 HA GLU 14 51.374 -12.132 -4.799 106 1HB GLU 14 1HB GLU 14 50.729 -12.911 -7.043 107 2HB GLU 14 2HB GLU 14 50.220 -14.084 -5.827 108 1HG GLU 14 1HG GLU 14 48.001 -12.607 -5.854 109 2HG GLU 14 2HG GLU 14 48.562 -12.230 -7.483 110 H GLU 15 H GLU 15 48.095 -10.854 -5.150 111 HA GLU 15 HA GLU 15 48.652 -8.763 -7.019 112 1HB GLU 15 1HB GLU 15 46.418 -9.632 -6.320 113 2HB GLU 15 2HB GLU 15 46.646 -8.872 -4.745 114 1HG GLU 15 1HG GLU 15 47.113 -6.716 -6.200 115 2HG GLU 15 2HG GLU 15 46.182 -7.591 -7.415 116 H GLN 16 H GLN 16 48.314 -8.528 -3.449 117 HA GLN 16 HA GLN 16 49.188 -5.836 -3.213 118 1HB GLN 16 1HB GLN 16 48.038 -7.135 -1.467 119 2HB GLN 16 2HB GLN 16 49.442 -8.193 -1.316 120 1HG GLN 16 1HG GLN 16 50.683 -6.618 -0.198 121 2HG GLN 16 2HG GLN 16 49.930 -5.268 -1.049 122 1HE2 GLN 16 2HE2 GLN 16 48.199 -4.207 -0.007 123 2HE2 GLN 16 1HE2 GLN 16 47.499 -4.737 1.445 124 H LYS 17 H LYS 17 51.085 -8.855 -2.783 125 HA LYS 17 HA LYS 17 53.600 -7.669 -2.279 126 1HB LYS 17 1HB LYS 17 53.546 -9.953 -1.930 127 2HB LYS 17 2HB LYS 17 52.517 -10.245 -3.329 128 1HG LYS 17 1HG LYS 17 55.357 -9.323 -3.711 129 2HG LYS 17 2HG LYS 17 55.005 -11.027 -3.422 130 1HD LYS 17 1HD LYS 17 53.132 -10.081 -5.348 131 2HD LYS 17 2HD LYS 17 54.737 -9.557 -5.864 132 1HE LYS 17 1HE LYS 17 55.584 -11.815 -5.817 133 2HE LYS 17 2HE LYS 17 54.111 -12.407 -5.022 134 1HZ LYS 17 1HZ LYS 17 54.030 -10.974 -7.610 135 2HZ LYS 17 2HZ LYS 17 54.213 -12.658 -7.531 136 3HZ LYS 17 3HZ LYS 17 52.818 -11.926 -6.897 137 H ASN 18 H ASN 18 51.831 -8.067 -5.294 138 HA ASN 18 HA ASN 18 54.045 -7.587 -7.092 139 1HB ASN 18 1HB ASN 18 51.147 -7.946 -7.122 140 2HB ASN 18 2HB ASN 18 51.669 -6.747 -8.306 141 1HD2 ASN 18 2HD2 ASN 18 50.670 -9.472 -8.910 142 2HD2 ASN 18 1HD2 ASN 18 51.932 -10.275 -9.714 143 H GLU 19 H GLU 19 51.708 -5.507 -5.427 144 HA GLU 19 HA GLU 19 52.251 -3.064 -6.812 145 1HB GLU 19 1HB GLU 19 50.486 -3.903 -4.978 146 2HB GLU 19 2HB GLU 19 51.624 -3.109 -3.889 147 1HG GLU 19 1HG GLU 19 51.154 -1.018 -4.701 148 2HG GLU 19 2HG GLU 19 50.877 -1.604 -6.342 149 H PHE 20 H PHE 20 53.631 -4.386 -3.780 150 HA PHE 20 HA PHE 20 55.389 -2.291 -3.122 151 1HB PHE 20 1HB PHE 20 55.897 -5.276 -2.918 152 2HB PHE 20 2HB PHE 20 56.572 -4.022 -1.878 153 HD1 PHE 20 HD1 PHE 20 54.039 -2.306 -1.709 154 HD2 PHE 20 HD2 PHE 20 54.709 -6.522 -1.233 155 HE1 PHE 20 HE1 PHE 20 52.052 -2.456 -0.233 156 HE2 PHE 20 HE2 PHE 20 52.722 -6.672 0.244 157 HZ PHE 20 HZ PHE 20 51.393 -4.639 0.743 158 H LYS 21 H LYS 21 56.086 -5.152 -5.172 159 HA LYS 21 HA LYS 21 58.729 -4.693 -5.876 160 1HB LYS 21 1HB LYS 21 56.401 -6.050 -6.918 161 2HB LYS 21 2HB LYS 21 57.352 -5.394 -8.251 162 1HG LYS 21 1HG LYS 21 58.874 -6.730 -6.074 163 2HG LYS 21 2HG LYS 21 57.905 -7.776 -7.112 164 1HD LYS 21 1HD LYS 21 59.373 -5.766 -8.638 165 2HD LYS 21 2HD LYS 21 60.446 -6.805 -7.699 166 1HE LYS 21 1HE LYS 21 58.204 -8.005 -9.332 167 2HE LYS 21 2HE LYS 21 59.771 -7.625 -10.074 168 1HZ LYS 21 1HZ LYS 21 60.828 -8.828 -8.195 169 2HZ LYS 21 2HZ LYS 21 59.286 -9.334 -7.694 170 3HZ LYS 21 3HZ LYS 21 59.897 -9.830 -9.200 171 H ALA 22 H ALA 22 55.857 -3.178 -7.392 172 HA ALA 22 HA ALA 22 57.096 -1.667 -9.404 173 1HB ALA 22 1HB ALA 22 54.779 -1.097 -7.536 174 2HB ALA 22 2HB ALA 22 55.154 -0.075 -8.924 175 3HB ALA 22 3HB ALA 22 54.706 -1.763 -9.168 176 H ALA 23 H ALA 23 56.458 -0.594 -6.038 177 HA ALA 23 HA ALA 23 57.901 1.874 -6.253 178 1HB ALA 23 1HB ALA 23 56.184 1.148 -4.531 179 2HB ALA 23 2HB ALA 23 57.445 0.157 -3.796 180 3HB ALA 23 3HB ALA 23 57.621 1.910 -3.851 181 H PHE 24 H PHE 24 58.867 -1.314 -4.922 182 HA PHE 24 HA PHE 24 61.469 -0.736 -4.071 183 1HB PHE 24 1HB PHE 24 60.443 -2.901 -3.757 184 2HB PHE 24 2HB PHE 24 60.297 -3.141 -5.499 185 HD1 PHE 24 HD1 PHE 24 62.435 -3.268 -6.896 186 HD2 PHE 24 HD2 PHE 24 62.419 -3.522 -2.608 187 HE1 PHE 24 HE1 PHE 24 64.699 -4.278 -6.948 188 HE2 PHE 24 HE2 PHE 24 64.684 -4.531 -2.660 189 HZ PHE 24 HZ PHE 24 65.823 -4.910 -4.829 190 H ASP 25 H ASP 25 60.360 -1.492 -7.380 191 HA ASP 25 HA ASP 25 62.872 -1.511 -8.693 192 1HB ASP 25 1HB ASP 25 60.563 -2.123 -9.558 193 2HB ASP 25 2HB ASP 25 60.252 -0.396 -9.737 194 H ILE 26 H ILE 26 60.578 1.237 -8.409 195 HA ILE 26 HA ILE 26 62.382 3.204 -9.463 196 HB ILE 26 HB ILE 26 59.926 3.267 -7.696 197 1HG1 ILE 26 1HG1 ILE 26 59.246 4.477 -10.006 198 2HG1 ILE 26 2HG1 ILE 26 60.536 3.434 -10.608 199 1HG2 ILE 26 1HG2 ILE 26 61.843 5.386 -8.246 200 2HG2 ILE 26 2HG2 ILE 26 60.244 5.788 -8.873 201 3HG2 ILE 26 3HG2 ILE 26 60.450 5.397 -7.166 202 1HD1 ILE 26 1HD1 ILE 26 58.330 2.371 -8.840 203 2HD1 ILE 26 2HD1 ILE 26 58.160 2.446 -10.593 204 3HD1 ILE 26 3HD1 ILE 26 59.436 1.464 -9.872 205 H PHE 27 H PHE 27 61.927 1.856 -6.245 206 HA PHE 27 HA PHE 27 63.151 3.846 -4.645 207 1HB PHE 27 1HB PHE 27 62.553 0.959 -4.559 208 2HB PHE 27 2HB PHE 27 63.892 1.445 -3.519 209 HD1 PHE 27 HD1 PHE 27 61.202 3.785 -4.416 210 HD2 PHE 27 HD2 PHE 27 62.646 1.039 -1.446 211 HE1 PHE 27 HE1 PHE 27 59.590 4.713 -2.774 212 HE2 PHE 27 HE2 PHE 27 61.036 1.967 0.196 213 HZ PHE 27 HZ PHE 27 59.508 3.804 -0.468 214 H VAL 28 H VAL 28 64.586 1.345 -6.702 215 HA VAL 28 HA VAL 28 67.319 2.216 -5.870 216 HB VAL 28 HB VAL 28 67.987 0.106 -6.962 217 1HG1 VAL 28 1HG1 VAL 28 66.356 0.381 -4.671 218 2HG1 VAL 28 2HG1 VAL 28 65.758 -1.038 -5.529 219 3HG1 VAL 28 3HG1 VAL 28 67.452 -0.948 -5.049 220 1HG2 VAL 28 1HG2 VAL 28 65.852 0.446 -8.573 221 2HG2 VAL 28 2HG2 VAL 28 66.589 -1.134 -8.305 222 3HG2 VAL 28 3HG2 VAL 28 65.144 -0.670 -7.407 223 H LEU 29 H LEU 29 65.049 2.349 -8.512 224 HA LEU 29 HA LEU 29 65.288 3.149 -10.735 225 1HB LEU 29 1HB LEU 29 65.961 4.988 -8.824 226 2HB LEU 29 2HB LEU 29 67.418 4.991 -9.817 227 HG LEU 29 HG LEU 29 65.245 4.969 -11.623 228 1HD1 LEU 29 1HD1 LEU 29 64.486 6.168 -9.135 229 2HD1 LEU 29 2HD1 LEU 29 64.659 7.447 -10.337 230 3HD1 LEU 29 3HD1 LEU 29 63.566 6.095 -10.637 231 1HD2 LEU 29 1HD2 LEU 29 67.643 6.334 -11.179 232 2HD2 LEU 29 2HD2 LEU 29 66.558 6.559 -12.551 233 3HD2 LEU 29 3HD2 LEU 29 66.414 7.598 -11.134 234 H GLY 30 H GLY 30 67.961 4.445 -11.506 235 1HA GLY 30 1HA GLY 30 69.147 2.056 -12.652 236 2HA GLY 30 2HA GLY 30 69.793 3.692 -12.786 237 H ALA 31 H ALA 31 69.191 1.471 -10.027 238 HA ALA 31 HA ALA 31 71.484 2.390 -8.549 239 1HB ALA 31 1HB ALA 31 69.398 0.292 -8.424 240 2HB ALA 31 2HB ALA 31 70.885 -0.082 -7.551 241 3HB ALA 31 3HB ALA 31 69.976 1.377 -7.159 242 H GLU 32 H GLU 32 72.997 0.338 -7.766 243 HA GLU 32 HA GLU 32 74.200 -0.739 -10.295 244 1HB GLU 32 1HB GLU 32 76.333 -0.571 -9.053 245 2HB GLU 32 2HB GLU 32 75.505 0.987 -9.088 246 1HG GLU 32 1HG GLU 32 74.625 -0.584 -6.815 247 2HG GLU 32 2HG GLU 32 76.380 -0.402 -6.805 248 H ASP 33 H ASP 33 72.912 -1.507 -7.160 249 HA ASP 33 HA ASP 33 73.605 -4.388 -7.616 250 1HB ASP 33 1HB ASP 33 73.798 -2.671 -5.131 251 2HB ASP 33 2HB ASP 33 73.793 -4.434 -5.054 252 H GLY 34 H GLY 34 71.131 -2.380 -7.750 253 1HA GLY 34 1HA GLY 34 68.814 -2.632 -7.474 254 2HA GLY 34 2HA GLY 34 69.126 -4.346 -7.198 255 H CYS 35 H CYS 35 70.563 -1.807 -5.232 256 HA CYS 35 HA CYS 35 68.884 -2.757 -2.932 257 1HB CYS 35 1HB CYS 35 71.715 -1.661 -2.998 258 2HB CYS 35 2HB CYS 35 70.884 -2.291 -1.575 259 HG CYS 35 HG CYS 35 71.296 -4.198 -4.004 260 H ILE 36 H ILE 36 69.406 -0.834 -1.088 261 HA ILE 36 HA ILE 36 68.699 1.758 -2.420 262 HB ILE 36 HB ILE 36 67.537 0.728 0.176 263 1HG1 ILE 36 1HG1 ILE 36 66.411 0.461 -2.633 264 2HG1 ILE 36 2HG1 ILE 36 66.996 -0.870 -1.633 265 1HG2 ILE 36 1HG2 ILE 36 67.490 3.217 -1.050 266 2HG2 ILE 36 2HG2 ILE 36 65.962 2.493 -1.553 267 3HG2 ILE 36 3HG2 ILE 36 66.342 2.650 0.163 268 1HD1 ILE 36 1HD1 ILE 36 65.266 0.171 0.114 269 2HD1 ILE 36 2HD1 ILE 36 64.499 0.748 -1.366 270 3HD1 ILE 36 3HD1 ILE 36 64.749 -0.981 -1.118 271 H SER 37 H SER 37 69.448 3.628 -1.318 272 HA SER 37 HA SER 37 70.965 3.370 1.203 273 1HB SER 37 1HB SER 37 72.144 3.110 -1.383 274 2HB SER 37 2HB SER 37 72.676 4.639 -0.695 275 HG SER 37 HG SER 37 73.460 2.163 -0.079 276 H THR 38 H THR 38 68.659 4.849 0.266 277 HA THR 38 HA THR 38 67.764 7.005 0.660 278 HB THR 38 HB THR 38 69.034 8.522 1.879 279 HG1 THR 38 HG1 THR 38 71.224 8.834 1.542 280 1HG2 THR 38 1HG2 THR 38 69.404 5.863 2.518 281 2HG2 THR 38 2HG2 THR 38 71.053 6.489 2.499 282 3HG2 THR 38 3HG2 THR 38 69.842 7.230 3.546 283 H LYS 39 H LYS 39 70.875 7.079 -1.137 284 HA LYS 39 HA LYS 39 70.373 9.277 -2.814 285 1HB LYS 39 1HB LYS 39 71.711 6.611 -3.395 286 2HB LYS 39 2HB LYS 39 71.927 8.072 -4.360 287 1HG LYS 39 1HG LYS 39 72.519 7.936 -1.393 288 2HG LYS 39 2HG LYS 39 73.739 7.675 -2.640 289 1HD LYS 39 1HD LYS 39 73.907 9.887 -3.081 290 2HD LYS 39 2HD LYS 39 72.155 10.094 -3.102 291 1HE LYS 39 1HE LYS 39 72.087 10.229 -0.667 292 2HE LYS 39 2HE LYS 39 73.822 9.871 -0.570 293 1HZ LYS 39 1HZ LYS 39 73.718 11.879 -2.380 294 2HZ LYS 39 2HZ LYS 39 72.501 12.331 -1.284 295 3HZ LYS 39 3HZ LYS 39 74.089 12.075 -0.737 296 H GLU 40 H GLU 40 69.271 5.908 -3.120 297 HA GLU 40 HA GLU 40 67.784 6.549 -5.608 298 1HB GLU 40 1HB GLU 40 67.911 3.959 -4.043 299 2HB GLU 40 2HB GLU 40 67.553 4.165 -5.758 300 1HG GLU 40 1HG GLU 40 70.206 4.803 -4.434 301 2HG GLU 40 2HG GLU 40 69.872 3.377 -5.418 302 H LEU 41 H LEU 41 67.254 5.932 -2.186 303 HA LEU 41 HA LEU 41 64.376 5.538 -2.388 304 1HB LEU 41 1HB LEU 41 66.145 4.859 -0.572 305 2HB LEU 41 2HB LEU 41 65.867 6.486 0.052 306 HG LEU 41 HG LEU 41 64.373 4.864 1.155 307 1HD1 LEU 41 1HD1 LEU 41 63.614 7.210 0.687 308 2HD1 LEU 41 2HD1 LEU 41 62.847 6.621 -0.789 309 3HD1 LEU 41 3HD1 LEU 41 62.286 6.053 0.783 310 1HD2 LEU 41 1HD2 LEU 41 64.320 3.608 -1.276 311 2HD2 LEU 41 2HD2 LEU 41 63.161 3.302 0.017 312 3HD2 LEU 41 3HD2 LEU 41 62.757 4.424 -1.283 313 H GLY 42 H GLY 42 66.294 8.206 -0.942 314 1HA GLY 42 1HA GLY 42 64.221 10.046 -0.593 315 2HA GLY 42 2HA GLY 42 65.884 10.522 -0.939 316 H LYS 43 H LYS 43 65.788 9.062 -3.564 317 HA LYS 43 HA LYS 43 65.226 11.159 -5.323 318 1HB LYS 43 1HB LYS 43 65.539 8.231 -5.406 319 2HB LYS 43 2HB LYS 43 64.615 8.884 -6.760 320 1HG LYS 43 1HG LYS 43 67.351 9.849 -5.875 321 2HG LYS 43 2HG LYS 43 67.030 8.833 -7.280 322 1HD LYS 43 1HD LYS 43 65.338 11.195 -7.282 323 2HD LYS 43 2HD LYS 43 67.045 11.631 -7.214 324 1HE LYS 43 1HE LYS 43 67.058 9.608 -9.090 325 2HE LYS 43 2HE LYS 43 65.521 10.430 -9.428 326 1HZ LYS 43 1HZ LYS 43 66.970 12.544 -9.037 327 2HZ LYS 43 2HZ LYS 43 68.251 11.515 -9.460 328 3HZ LYS 43 3HZ LYS 43 66.976 11.777 -10.552 329 H VAL 44 H VAL 44 62.981 8.889 -3.829 330 HA VAL 44 HA VAL 44 60.728 9.537 -5.559 331 HB VAL 44 HB VAL 44 61.113 8.142 -2.901 332 1HG1 VAL 44 1HG1 VAL 44 58.651 9.140 -4.147 333 2HG1 VAL 44 2HG1 VAL 44 58.614 7.403 -3.848 334 3HG1 VAL 44 3HG1 VAL 44 58.912 8.520 -2.517 335 1HG2 VAL 44 1HG2 VAL 44 60.803 7.352 -5.774 336 2HG2 VAL 44 2HG2 VAL 44 61.873 6.686 -4.539 337 3HG2 VAL 44 3HG2 VAL 44 60.159 6.270 -4.538 338 H MET 45 H MET 45 61.740 10.490 -2.267 339 HA MET 45 HA MET 45 59.647 11.979 -1.311 340 1HB MET 45 1HB MET 45 62.556 12.841 -1.445 341 2HB MET 45 2HB MET 45 61.374 13.411 -0.269 342 1HG MET 45 1HG MET 45 62.458 10.602 -0.576 343 2HG MET 45 2HG MET 45 62.627 11.674 0.812 344 1HE MET 45 1HE MET 45 61.294 8.695 -0.265 345 2HE MET 45 2HE MET 45 59.564 8.577 0.049 346 3HE MET 45 3HE MET 45 60.138 9.490 -1.345 347 H ARG 46 H ARG 46 62.196 13.684 -3.169 348 HA ARG 46 HA ARG 46 60.833 16.040 -3.725 349 1HB ARG 46 1HB ARG 46 62.831 14.349 -5.203 350 2HB ARG 46 2HB ARG 46 62.208 15.809 -5.971 351 1HG ARG 46 1HG ARG 46 63.558 15.661 -3.260 352 2HG ARG 46 2HG ARG 46 64.259 16.329 -4.734 353 1HD ARG 46 1HD ARG 46 62.199 17.908 -4.772 354 2HD ARG 46 2HD ARG 46 61.986 17.430 -3.075 355 HE ARG 46 HE ARG 46 64.210 18.333 -2.593 356 1HH1 ARG 46 1HH1 ARG 46 64.430 18.000 -5.845 357 2HH1 ARG 46 2HH1 ARG 46 64.920 19.625 -6.196 358 1HH2 ARG 46 1HH2 ARG 46 64.235 20.801 -3.006 359 2HH2 ARG 46 2HH2 ARG 46 64.808 21.210 -4.589 360 H MET 47 H MET 47 60.411 12.883 -5.257 361 HA MET 47 HA MET 47 58.650 13.868 -7.372 362 1HB MET 47 1HB MET 47 59.852 11.354 -6.406 363 2HB MET 47 2HB MET 47 58.254 11.154 -7.128 364 1HG MET 47 1HG MET 47 60.109 12.937 -8.601 365 2HG MET 47 2HG MET 47 60.544 11.228 -8.584 366 1HE MET 47 1HE MET 47 59.622 9.511 -9.480 367 2HE MET 47 2HE MET 47 57.937 9.388 -8.953 368 3HE MET 47 3HE MET 47 58.329 9.402 -10.671 369 H LEU 48 H LEU 48 58.287 12.618 -4.101 370 HA LEU 48 HA LEU 48 55.430 12.100 -4.283 371 1HB LEU 48 1HB LEU 48 57.328 12.547 -1.956 372 2HB LEU 48 2HB LEU 48 55.687 11.923 -1.802 373 HG LEU 48 HG LEU 48 58.020 10.626 -3.227 374 1HD1 LEU 48 1HD1 LEU 48 56.703 10.338 -0.639 375 2HD1 LEU 48 2HD1 LEU 48 56.739 8.821 -1.538 376 3HD1 LEU 48 3HD1 LEU 48 58.241 9.677 -1.192 377 1HD2 LEU 48 1HD2 LEU 48 55.100 9.811 -3.176 378 2HD2 LEU 48 2HD2 LEU 48 55.993 10.356 -4.595 379 3HD2 LEU 48 3HD2 LEU 48 56.413 8.828 -3.821 380 H GLY 49 H GLY 49 57.107 14.955 -4.441 381 1HA GLY 49 1HA GLY 49 56.210 17.154 -4.412 382 2HA GLY 49 2HA GLY 49 54.738 16.515 -3.677 383 H GLN 50 H GLN 50 57.789 15.611 -2.312 384 HA GLN 50 HA GLN 50 57.642 17.717 -0.217 385 1HB GLN 50 1HB GLN 50 56.724 14.944 -0.023 386 2HB GLN 50 2HB GLN 50 57.926 15.335 1.208 387 1HG GLN 50 1HG GLN 50 55.507 17.065 0.637 388 2HG GLN 50 2HG GLN 50 55.538 15.821 1.888 389 1HE2 GLN 50 2HE2 GLN 50 55.185 17.840 3.333 390 2HE2 GLN 50 1HE2 GLN 50 56.571 18.674 3.848 391 H ASN 51 H ASN 51 59.486 16.718 1.549 392 HA ASN 51 HA ASN 51 61.759 15.411 0.352 393 1HB ASN 51 1HB ASN 51 61.405 17.796 -0.762 394 2HB ASN 51 2HB ASN 51 62.224 18.353 0.697 395 1HD2 ASN 51 2HD2 ASN 51 64.390 18.674 0.157 396 2HD2 ASN 51 1HD2 ASN 51 65.338 17.588 -0.740 397 HA PRO 52 HA PRO 52 61.952 15.775 4.893 398 1HB PRO 52 1HB PRO 52 62.926 13.247 5.278 399 2HB PRO 52 2HB PRO 52 61.195 13.594 5.092 400 1HG PRO 52 1HG PRO 52 63.134 12.524 3.106 401 2HG PRO 52 2HG PRO 52 61.433 12.109 3.361 402 1HD PRO 52 1HD PRO 52 62.320 13.748 1.357 403 2HD PRO 52 2HD PRO 52 60.685 13.824 2.050 404 H THR 53 H THR 53 64.081 14.744 6.238 405 HA THR 53 HA THR 53 66.391 16.083 4.928 406 HB THR 53 HB THR 53 67.308 15.960 7.247 407 HG1 THR 53 HG1 THR 53 66.072 15.041 8.836 408 1HG2 THR 53 1HG2 THR 53 65.096 17.450 6.317 409 2HG2 THR 53 2HG2 THR 53 64.712 16.979 7.972 410 3HG2 THR 53 3HG2 THR 53 66.193 17.872 7.630 411 HA PRO 54 HA PRO 54 68.506 12.326 4.112 412 1HB PRO 54 1HB PRO 54 71.100 13.038 4.616 413 2HB PRO 54 2HB PRO 54 70.202 13.604 3.194 414 1HG PRO 54 1HG PRO 54 70.790 15.017 5.744 415 2HG PRO 54 2HG PRO 54 70.751 15.643 4.088 416 1HD PRO 54 1HD PRO 54 68.732 16.005 5.893 417 2HD PRO 54 2HD PRO 54 68.491 15.982 4.132 418 H GLU 55 H GLU 55 68.705 13.797 7.243 419 HA GLU 55 HA GLU 55 70.255 11.723 8.561 420 1HB GLU 55 1HB GLU 55 69.987 14.081 9.328 421 2HB GLU 55 2HB GLU 55 68.280 13.763 9.638 422 1HG GLU 55 1HG GLU 55 69.153 13.360 11.747 423 2HG GLU 55 2HG GLU 55 69.263 11.742 11.054 424 H GLU 56 H GLU 56 66.800 12.304 7.991 425 HA GLU 56 HA GLU 56 66.005 10.003 9.658 426 1HB GLU 56 1HB GLU 56 64.827 12.313 9.204 427 2HB GLU 56 2HB GLU 56 64.232 11.511 7.751 428 1HG GLU 56 1HG GLU 56 62.661 10.454 8.964 429 2HG GLU 56 2HG GLU 56 63.920 9.707 9.948 430 H LEU 57 H LEU 57 66.617 10.730 6.282 431 HA LEU 57 HA LEU 57 65.172 8.752 4.927 432 1HB LEU 57 1HB LEU 57 67.343 10.513 4.488 433 2HB LEU 57 2HB LEU 57 67.896 8.921 3.969 434 HG LEU 57 HG LEU 57 65.387 10.354 3.058 435 1HD1 LEU 57 1HD1 LEU 57 68.043 10.433 2.137 436 2HD1 LEU 57 2HD1 LEU 57 67.196 9.365 1.018 437 3HD1 LEU 57 3HD1 LEU 57 66.612 11.008 1.283 438 1HD2 LEU 57 1HD2 LEU 57 66.383 7.530 2.634 439 2HD2 LEU 57 2HD2 LEU 57 64.793 8.052 3.190 440 3HD2 LEU 57 3HD2 LEU 57 65.264 8.300 1.509 441 H GLN 58 H GLN 58 68.411 8.407 6.426 442 HA GLN 58 HA GLN 58 68.864 5.687 5.824 443 1HB GLN 58 1HB GLN 58 70.026 7.754 7.305 444 2HB GLN 58 2HB GLN 58 69.736 6.484 8.494 445 1HG GLN 58 1HG GLN 58 70.857 5.597 5.891 446 2HG GLN 58 2HG GLN 58 71.935 6.543 6.917 447 1HE2 GLN 58 2HE2 GLN 58 71.742 3.500 6.252 448 2HE2 GLN 58 1HE2 GLN 58 71.803 2.764 7.781 449 H GLU 59 H GLU 59 66.914 7.147 8.406 450 HA GLU 59 HA GLU 59 66.494 4.906 10.067 451 1HB GLU 59 1HB GLU 59 65.470 7.512 9.660 452 2HB GLU 59 2HB GLU 59 64.072 6.435 9.667 453 1HG GLU 59 1HG GLU 59 66.238 6.499 11.790 454 2HG GLU 59 2HG GLU 59 64.634 7.215 11.953 455 H MET 60 H MET 60 65.073 5.697 6.925 456 HA MET 60 HA MET 60 62.975 3.719 6.961 457 1HB MET 60 1HB MET 60 64.515 4.870 4.613 458 2HB MET 60 2HB MET 60 62.871 4.235 4.587 459 1HG MET 60 1HG MET 60 63.293 6.346 6.593 460 2HG MET 60 2HG MET 60 63.521 6.887 4.930 461 1HE MET 60 1HE MET 60 61.794 8.476 5.683 462 2HE MET 60 2HE MET 60 61.343 8.168 4.008 463 3HE MET 60 3HE MET 60 60.098 8.255 5.262 464 H ILE 61 H ILE 61 66.406 3.625 6.234 465 HA ILE 61 HA ILE 61 66.272 0.934 5.029 466 HB ILE 61 HB ILE 61 68.409 2.972 5.676 467 1HG1 ILE 61 1HG1 ILE 61 68.632 2.523 3.061 468 2HG1 ILE 61 2HG1 ILE 61 66.967 1.972 3.251 469 1HG2 ILE 61 1HG2 ILE 61 69.228 0.590 6.021 470 2HG2 ILE 61 2HG2 ILE 61 68.880 0.309 4.315 471 3HG2 ILE 61 3HG2 ILE 61 70.087 1.506 4.782 472 1HD1 ILE 61 1HD1 ILE 61 67.999 4.663 4.192 473 2HD1 ILE 61 2HD1 ILE 61 67.117 4.401 2.688 474 3HD1 ILE 61 3HD1 ILE 61 66.327 4.107 4.236 475 H ASP 62 H ASP 62 66.969 2.421 8.133 476 HA ASP 62 HA ASP 62 68.247 0.009 9.237 477 1HB ASP 62 1HB ASP 62 67.781 2.822 9.920 478 2HB ASP 62 2HB ASP 62 67.604 1.746 11.307 479 H GLU 63 H GLU 63 65.046 1.070 8.728 480 HA GLU 63 HA GLU 63 63.826 -0.086 11.110 481 1HB GLU 63 1HB GLU 63 62.856 1.764 9.787 482 2HB GLU 63 2HB GLU 63 62.711 0.691 8.395 483 1HG GLU 63 1HG GLU 63 61.328 -0.837 9.951 484 2HG GLU 63 2HG GLU 63 61.223 0.565 11.016 485 H VAL 64 H VAL 64 65.065 -1.387 8.176 486 HA VAL 64 HA VAL 64 63.776 -4.008 8.815 487 HB VAL 64 HB VAL 64 63.450 -4.254 6.312 488 1HG1 VAL 64 1HG1 VAL 64 61.630 -3.571 7.893 489 2HG1 VAL 64 2HG1 VAL 64 62.033 -1.885 7.569 490 3HG1 VAL 64 3HG1 VAL 64 61.421 -2.911 6.272 491 1HG2 VAL 64 1HG2 VAL 64 64.230 -1.326 6.434 492 2HG2 VAL 64 2HG2 VAL 64 65.032 -2.603 5.520 493 3HG2 VAL 64 3HG2 VAL 64 63.418 -2.064 5.053 494 H ASP 65 H ASP 65 66.586 -2.648 8.936 495 HA ASP 65 HA ASP 65 68.196 -4.204 7.046 496 1HB ASP 65 1HB ASP 65 68.533 -1.867 8.298 497 2HB ASP 65 2HB ASP 65 69.301 -2.901 9.504 498 H GLU 66 H GLU 66 68.660 -6.343 7.387 499 HA GLU 66 HA GLU 66 68.818 -7.317 10.223 500 1HB GLU 66 1HB GLU 66 67.144 -8.051 8.013 501 2HB GLU 66 2HB GLU 66 68.199 -9.415 8.387 502 1HG GLU 66 1HG GLU 66 66.595 -7.915 10.474 503 2HG GLU 66 2HG GLU 66 66.042 -9.397 9.693 504 H ASP 67 H ASP 67 71.018 -6.329 8.467 505 HA ASP 67 HA ASP 67 72.747 -8.735 8.655 506 1HB ASP 67 1HB ASP 67 73.469 -8.413 6.294 507 2HB ASP 67 2HB ASP 67 71.748 -8.780 6.403 508 H GLY 68 H GLY 68 72.535 -5.288 7.727 509 1HA GLY 68 1HA GLY 68 73.888 -3.654 9.006 510 2HA GLY 68 2HA GLY 68 75.154 -4.878 9.108 511 H SER 69 H SER 69 73.382 -4.430 6.131 512 HA SER 69 HA SER 69 75.898 -3.675 4.771 513 1HB SER 69 1HB SER 69 74.448 -4.054 2.755 514 2HB SER 69 2HB SER 69 74.478 -5.431 3.852 515 HG SER 69 HG SER 69 72.352 -4.659 3.064 516 H GLY 70 H GLY 70 73.413 -2.016 6.284 517 1HA GLY 70 1HA GLY 70 72.777 0.242 6.243 518 2HA GLY 70 2HA GLY 70 74.235 0.539 5.295 519 H THR 71 H THR 71 71.952 -1.787 4.106 520 HA THR 71 HA THR 71 70.738 0.226 2.267 521 HB THR 71 HB THR 71 71.306 -1.496 0.418 522 HG1 THR 71 HG1 THR 71 72.768 -2.987 0.897 523 1HG2 THR 71 1HG2 THR 71 72.444 0.773 0.971 524 2HG2 THR 71 2HG2 THR 71 73.744 -0.217 1.634 525 3HG2 THR 71 3HG2 THR 71 73.305 -0.363 -0.067 526 H VAL 72 H VAL 72 69.023 -1.005 0.852 527 HA VAL 72 HA VAL 72 67.681 -3.082 2.555 528 HB VAL 72 HB VAL 72 66.647 -0.662 1.068 529 1HG1 VAL 72 1HG1 VAL 72 65.255 -2.691 0.550 530 2HG1 VAL 72 2HG1 VAL 72 64.978 -2.884 2.281 531 3HG1 VAL 72 3HG1 VAL 72 64.383 -1.448 1.447 532 1HG2 VAL 72 1HG2 VAL 72 67.441 -0.497 3.459 533 2HG2 VAL 72 2HG2 VAL 72 65.748 -0.064 3.234 534 3HG2 VAL 72 3HG2 VAL 72 66.173 -1.641 3.899 535 H ASP 73 H ASP 73 66.794 -4.838 1.443 536 HA ASP 73 HA ASP 73 67.209 -4.889 -1.530 537 1HB ASP 73 1HB ASP 73 67.841 -6.749 0.708 538 2HB ASP 73 2HB ASP 73 67.291 -7.488 -0.796 539 H PHE 74 H PHE 74 65.781 -6.931 -2.364 540 HA PHE 74 HA PHE 74 63.040 -6.189 -2.120 541 1HB PHE 74 1HB PHE 74 64.181 -7.485 -3.962 542 2HB PHE 74 2HB PHE 74 64.213 -8.881 -2.883 543 HD1 PHE 74 HD1 PHE 74 61.606 -6.258 -3.507 544 HD2 PHE 74 HD2 PHE 74 62.624 -10.428 -3.626 545 HE1 PHE 74 HE1 PHE 74 59.274 -6.808 -4.149 546 HE2 PHE 74 HE2 PHE 74 60.294 -10.979 -4.267 547 HZ PHE 74 HZ PHE 74 58.619 -9.169 -4.530 548 H ASP 75 H ASP 75 65.052 -7.966 0.013 549 HA ASP 75 HA ASP 75 62.875 -9.548 1.218 550 1HB ASP 75 1HB ASP 75 65.803 -9.069 1.850 551 2HB ASP 75 2HB ASP 75 64.778 -10.168 2.773 552 H GLU 76 H GLU 76 65.213 -7.214 2.619 553 HA GLU 76 HA GLU 76 63.705 -6.650 4.964 554 1HB GLU 76 1HB GLU 76 65.700 -4.999 3.379 555 2HB GLU 76 2HB GLU 76 65.209 -4.647 5.036 556 1HG GLU 76 1HG GLU 76 66.083 -6.781 5.805 557 2HG GLU 76 2HG GLU 76 66.451 -7.266 4.149 558 H PHE 77 H PHE 77 63.559 -5.263 1.716 559 HA PHE 77 HA PHE 77 62.010 -2.934 2.294 560 1HB PHE 77 1HB PHE 77 63.048 -3.100 0.183 561 2HB PHE 77 2HB PHE 77 62.454 -4.738 -0.080 562 HD1 PHE 77 HD1 PHE 77 61.400 -1.171 0.147 563 HD2 PHE 77 HD2 PHE 77 60.360 -5.139 -1.126 564 HE1 PHE 77 HE1 PHE 77 59.430 -0.268 -1.058 565 HE2 PHE 77 HE2 PHE 77 58.389 -4.237 -2.330 566 HZ PHE 77 HZ PHE 77 57.924 -1.801 -2.297 567 H LEU 78 H LEU 78 61.042 -6.295 1.582 568 HA LEU 78 HA LEU 78 58.237 -5.873 1.351 569 1HB LEU 78 1HB LEU 78 60.148 -8.059 1.801 570 2HB LEU 78 2HB LEU 78 58.558 -8.369 2.499 571 HG LEU 78 HG LEU 78 59.089 -7.539 -0.371 572 1HD1 LEU 78 1HD1 LEU 78 59.633 -9.958 0.514 573 2HD1 LEU 78 2HD1 LEU 78 57.880 -10.148 0.504 574 3HD1 LEU 78 3HD1 LEU 78 58.734 -9.762 -0.990 575 1HD2 LEU 78 1HD2 LEU 78 56.734 -7.435 1.299 576 2HD2 LEU 78 2HD2 LEU 78 56.919 -6.932 -0.381 577 3HD2 LEU 78 3HD2 LEU 78 56.489 -8.600 -0.003 578 H VAL 79 H VAL 79 60.193 -6.712 4.235 579 HA VAL 79 HA VAL 79 58.071 -6.815 6.122 580 HB VAL 79 HB VAL 79 61.010 -6.112 6.237 581 1HG1 VAL 79 1HG1 VAL 79 58.947 -5.750 8.289 582 2HG1 VAL 79 2HG1 VAL 79 60.256 -6.809 8.813 583 3HG1 VAL 79 3HG1 VAL 79 60.613 -5.172 8.259 584 1HG2 VAL 79 1HG2 VAL 79 59.326 -8.519 6.988 585 2HG2 VAL 79 2HG2 VAL 79 60.556 -8.424 5.728 586 3HG2 VAL 79 3HG2 VAL 79 61.027 -8.356 7.427 587 H MET 80 H MET 80 59.707 -4.088 4.638 588 HA MET 80 HA MET 80 58.873 -2.076 6.548 589 1HB MET 80 1HB MET 80 60.726 -2.132 4.695 590 2HB MET 80 2HB MET 80 59.428 -1.598 3.625 591 1HG MET 80 1HG MET 80 59.593 -0.132 6.183 592 2HG MET 80 2HG MET 80 60.979 0.093 5.115 593 1HE MET 80 1HE MET 80 60.829 0.186 2.831 594 2HE MET 80 2HE MET 80 59.449 0.587 1.811 595 3HE MET 80 3HE MET 80 60.446 1.874 2.502 596 H MET 81 H MET 81 57.324 -3.675 3.859 597 HA MET 81 HA MET 81 55.237 -1.621 3.542 598 1HB MET 81 1HB MET 81 55.847 -4.346 2.387 599 2HB MET 81 2HB MET 81 54.353 -3.493 1.994 600 1HG MET 81 1HG MET 81 57.028 -2.132 1.716 601 2HG MET 81 2HG MET 81 56.390 -3.149 0.425 602 1HE MET 81 1HE MET 81 56.910 0.211 1.402 603 2HE MET 81 2HE MET 81 57.078 -0.314 -0.272 604 3HE MET 81 3HE MET 81 55.951 0.984 0.143 605 H VAL 82 H VAL 82 55.808 -4.295 5.602 606 HA VAL 82 HA VAL 82 52.908 -4.777 6.084 607 HB VAL 82 HB VAL 82 55.337 -6.110 7.312 608 1HG1 VAL 82 1HG1 VAL 82 52.986 -6.425 8.277 609 2HG1 VAL 82 2HG1 VAL 82 52.586 -7.239 6.766 610 3HG1 VAL 82 3HG1 VAL 82 53.840 -7.897 7.815 611 1HG2 VAL 82 1HG2 VAL 82 55.424 -6.161 4.811 612 2HG2 VAL 82 2HG2 VAL 82 55.196 -7.761 5.518 613 3HG2 VAL 82 3HG2 VAL 82 53.828 -6.909 4.802 614 H ARG 83 H ARG 83 55.816 -3.501 7.656 615 HA ARG 83 HA ARG 83 54.671 -3.237 10.298 616 1HB ARG 83 1HB ARG 83 57.049 -2.263 8.764 617 2HB ARG 83 2HB ARG 83 56.663 -1.453 10.282 618 1HG ARG 83 1HG ARG 83 56.516 -3.811 11.304 619 2HG ARG 83 2HG ARG 83 57.322 -4.365 9.836 620 1HD ARG 83 1HD ARG 83 58.927 -3.859 11.712 621 2HD ARG 83 2HD ARG 83 59.217 -2.862 10.273 622 HE ARG 83 HE ARG 83 58.133 -0.995 11.397 623 1HH1 ARG 83 1HH1 ARG 83 57.016 -3.605 13.107 624 2HH1 ARG 83 2HH1 ARG 83 57.336 -2.961 14.682 625 1HH2 ARG 83 1HH2 ARG 83 59.163 -0.261 13.496 626 2HH2 ARG 83 2HH2 ARG 83 58.551 -1.065 14.902 627 H CYS 84 H CYS 84 54.483 -1.333 7.375 628 HA CYS 84 HA CYS 84 53.626 1.132 8.719 629 1HB CYS 84 1HB CYS 84 53.454 1.942 6.441 630 2HB CYS 84 2HB CYS 84 54.902 0.943 6.542 631 HG CYS 84 HG CYS 84 52.972 0.408 4.520 632 H MET 85 H MET 85 52.120 -1.779 8.315 633 HA MET 85 HA MET 85 49.500 -0.849 7.379 634 1HB MET 85 1HB MET 85 50.920 -3.314 7.951 635 2HB MET 85 2HB MET 85 49.306 -3.352 8.662 636 1HG MET 85 1HG MET 85 48.473 -2.490 6.382 637 2HG MET 85 2HG MET 85 50.061 -2.947 5.768 638 1HE MET 85 1HE MET 85 50.246 -4.460 4.562 639 2HE MET 85 2HE MET 85 50.664 -5.950 5.404 640 3HE MET 85 3HE MET 85 49.276 -5.920 4.319 641 H LYS 86 H LYS 86 49.306 0.895 9.085 642 HA LYS 86 HA LYS 86 48.061 -0.238 11.551 643 1HB LYS 86 1HB LYS 86 50.532 0.424 11.806 644 2HB LYS 86 2HB LYS 86 49.996 2.089 11.578 645 1HG LYS 86 1HG LYS 86 48.208 1.233 13.452 646 2HG LYS 86 2HG LYS 86 49.634 0.296 13.900 647 1HD LYS 86 1HD LYS 86 50.869 2.168 14.444 648 2HD LYS 86 2HD LYS 86 50.017 3.194 13.289 649 1HE LYS 86 1HE LYS 86 49.303 3.899 15.485 650 2HE LYS 86 2HE LYS 86 47.961 2.957 14.808 651 1HZ LYS 86 1HZ LYS 86 49.923 1.290 16.051 652 2HZ LYS 86 2HZ LYS 86 49.283 2.418 17.149 653 3HZ LYS 86 3HZ LYS 86 48.248 1.363 16.321 654 H ASP 87 H ASP 87 46.470 0.660 9.555 655 HA ASP 87 HA ASP 87 45.736 3.462 10.345 656 1HB ASP 87 1HB ASP 87 45.721 1.929 7.753 657 2HB ASP 87 2HB ASP 87 44.641 3.307 7.965 658 H ASP 88 H ASP 88 43.545 3.832 10.846 659 HA ASP 88 HA ASP 88 41.920 1.418 11.396 660 1HB ASP 88 1HB ASP 88 40.646 2.933 12.766 661 2HB ASP 88 2HB ASP 88 42.342 3.357 12.995 662 H SER 89 H SER 89 42.359 2.391 8.588 663 HA SER 89 HA SER 89 40.285 3.827 7.423 664 1HB SER 89 1HB SER 89 40.672 2.235 5.484 665 2HB SER 89 2HB SER 89 42.141 2.928 6.166 666 HG SER 89 HG SER 89 42.728 0.942 6.484 667 1H ARG 1 1H ARG 1 56.999 7.264 8.255 668 2H ARG 1 2H ARG 1 55.464 7.650 8.868 669 3H ARG 1 3H ARG 1 56.420 6.477 9.640 670 HA ARG 1 HA ARG 1 56.138 4.926 7.899 671 1HB ARG 1 1HB ARG 1 53.678 4.768 7.934 672 2HB ARG 1 2HB ARG 1 54.279 5.282 9.511 673 1HG ARG 1 1HG ARG 1 53.776 7.523 7.686 674 2HG ARG 1 2HG ARG 1 52.326 6.585 8.052 675 1HD ARG 1 1HD ARG 1 52.217 7.518 10.113 676 2HD ARG 1 2HD ARG 1 53.866 6.967 10.472 677 HE ARG 1 HE ARG 1 53.900 9.216 8.654 678 1HH1 ARG 1 1HH1 ARG 1 52.556 8.864 11.723 679 2HH1 ARG 1 2HH1 ARG 1 53.499 10.112 12.466 680 1HH2 ARG 1 1HH2 ARG 1 55.539 10.582 9.700 681 2HH2 ARG 1 2HH2 ARG 1 55.191 11.084 11.321 682 H ILE 2 H ILE 2 55.612 4.492 5.690 683 HA ILE 2 HA ILE 2 55.491 6.929 3.959 684 HB ILE 2 HB ILE 2 56.267 4.074 3.290 685 1HG1 ILE 2 1HG1 ILE 2 58.015 6.422 4.103 686 2HG1 ILE 2 2HG1 ILE 2 57.713 4.982 5.077 687 1HG2 ILE 2 1HG2 ILE 2 56.177 6.657 1.842 688 2HG2 ILE 2 2HG2 ILE 2 57.655 5.718 1.619 689 3HG2 ILE 2 3HG2 ILE 2 56.091 5.010 1.216 690 1HD1 ILE 2 1HD1 ILE 2 58.523 3.992 2.585 691 2HD1 ILE 2 2HD1 ILE 2 59.596 5.357 2.895 692 3HD1 ILE 2 3HD1 ILE 2 59.488 4.037 4.059 693 H SER 3 H SER 3 53.102 7.042 4.264 694 HA SER 3 HA SER 3 51.188 5.085 3.800 695 1HB SER 3 1HB SER 3 51.415 8.010 3.134 696 2HB SER 3 2HB SER 3 49.965 7.123 2.673 697 HG SER 3 HG SER 3 50.903 7.866 5.168 698 H ALA 4 H ALA 4 50.569 3.873 2.034 699 HA ALA 4 HA ALA 4 52.144 3.990 -0.420 700 1HB ALA 4 1HB ALA 4 50.549 2.161 1.008 701 2HB ALA 4 2HB ALA 4 49.713 2.404 -0.526 702 3HB ALA 4 3HB ALA 4 51.390 1.859 -0.512 703 H ASP 5 H ASP 5 49.198 5.432 0.685 704 HA ASP 5 HA ASP 5 47.834 5.737 -1.831 705 1HB ASP 5 1HB ASP 5 47.802 7.004 0.893 706 2HB ASP 5 2HB ASP 5 46.862 7.742 -0.405 707 H ALA 6 H ALA 6 50.168 7.785 -0.074 708 HA ALA 6 HA ALA 6 50.104 9.868 -2.153 709 1HB ALA 6 1HB ALA 6 51.724 9.383 0.364 710 2HB ALA 6 2HB ALA 6 51.878 10.832 -0.629 711 3HB ALA 6 3HB ALA 6 50.351 10.475 0.179 712 H MET 7 H MET 7 52.456 7.452 -0.953 713 HA MET 7 HA MET 7 54.620 8.093 -2.663 714 1HB MET 7 1HB MET 7 54.251 6.418 -0.651 715 2HB MET 7 2HB MET 7 53.931 5.262 -1.944 716 1HG MET 7 1HG MET 7 56.208 6.570 -2.829 717 2HG MET 7 2HG MET 7 56.473 6.442 -1.091 718 1HE MET 7 1HE MET 7 57.281 5.445 -3.995 719 2HE MET 7 2HE MET 7 58.088 3.896 -3.716 720 3HE MET 7 3HE MET 7 56.506 3.943 -4.490 721 H MET 8 H MET 8 51.621 6.409 -3.358 722 HA MET 8 HA MET 8 52.616 5.257 -5.875 723 1HB MET 8 1HB MET 8 50.168 5.235 -4.190 724 2HB MET 8 2HB MET 8 49.928 4.941 -5.914 725 1HG MET 8 1HG MET 8 50.308 2.812 -4.779 726 2HG MET 8 2HG MET 8 51.683 3.173 -5.822 727 1HE MET 8 1HE MET 8 53.665 3.217 -5.436 728 2HE MET 8 2HE MET 8 54.136 4.568 -4.409 729 3HE MET 8 3HE MET 8 54.562 2.913 -3.951 730 H GLN 9 H GLN 9 50.048 7.643 -5.060 731 HA GLN 9 HA GLN 9 49.729 8.495 -7.810 732 1HB GLN 9 1HB GLN 9 48.546 8.883 -5.228 733 2HB GLN 9 2HB GLN 9 48.838 10.468 -5.949 734 1HG GLN 9 1HG GLN 9 46.880 10.092 -7.043 735 2HG GLN 9 2HG GLN 9 47.860 9.066 -8.093 736 1HE2 GLN 9 2HE2 GLN 9 48.317 6.823 -6.502 737 2HE2 GLN 9 1HE2 GLN 9 46.843 6.081 -6.102 738 H ALA 10 H ALA 10 51.749 9.567 -5.127 739 HA ALA 10 HA ALA 10 52.510 12.078 -6.456 740 1HB ALA 10 1HB ALA 10 52.325 11.305 -3.898 741 2HB ALA 10 2HB ALA 10 54.017 10.887 -4.171 742 3HB ALA 10 3HB ALA 10 53.470 12.547 -4.406 743 H LEU 11 H LEU 11 53.453 8.818 -6.714 744 HA LEU 11 HA LEU 11 56.038 9.646 -7.988 745 1HB LEU 11 1HB LEU 11 56.113 8.570 -5.644 746 2HB LEU 11 2HB LEU 11 55.603 7.086 -6.445 747 HG LEU 11 HG LEU 11 57.612 7.743 -8.089 748 1HD1 LEU 11 1HD1 LEU 11 57.900 9.527 -5.838 749 2HD1 LEU 11 2HD1 LEU 11 59.268 8.416 -5.892 750 3HD1 LEU 11 3HD1 LEU 11 58.891 9.417 -7.293 751 1HD2 LEU 11 1HD2 LEU 11 57.264 6.031 -5.773 752 2HD2 LEU 11 2HD2 LEU 11 58.147 5.712 -7.265 753 3HD2 LEU 11 3HD2 LEU 11 58.945 6.534 -5.927 754 H LEU 12 H LEU 12 54.151 6.617 -7.608 755 HA LEU 12 HA LEU 12 54.129 6.386 -10.603 756 1HB LEU 12 1HB LEU 12 54.315 3.886 -10.077 757 2HB LEU 12 2HB LEU 12 55.746 4.853 -9.720 758 HG LEU 12 HG LEU 12 53.705 4.547 -7.561 759 1HD1 LEU 12 1HD1 LEU 12 54.337 2.264 -8.775 760 2HD1 LEU 12 2HD1 LEU 12 55.812 2.439 -7.825 761 3HD1 LEU 12 3HD1 LEU 12 54.246 2.362 -7.017 762 1HD2 LEU 12 1HD2 LEU 12 56.122 5.775 -7.725 763 2HD2 LEU 12 2HD2 LEU 12 55.462 5.144 -6.217 764 3HD2 LEU 12 3HD2 LEU 12 56.622 4.188 -7.140 765 H GLY 13 H GLY 13 51.954 7.025 -10.891 766 1HA GLY 13 1HA GLY 13 49.908 5.111 -10.577 767 2HA GLY 13 2HA GLY 13 49.791 6.199 -9.193 768 H ALA 14 H ALA 14 50.788 8.513 -10.748 769 HA ALA 14 HA ALA 14 49.933 10.215 -12.155 770 1HB ALA 14 1HB ALA 14 49.895 8.085 -13.647 771 2HB ALA 14 2HB ALA 14 48.158 8.081 -13.338 772 3HB ALA 14 3HB ALA 14 48.905 9.458 -14.145 773 H ARG 15 H ARG 15 48.196 11.671 -11.986 774 HA ARG 15 HA ARG 15 45.491 11.019 -11.379 775 1HB ARG 15 1HB ARG 15 47.232 10.474 -9.282 776 2HB ARG 15 2HB ARG 15 46.570 12.053 -8.856 777 1HG ARG 15 1HG ARG 15 44.853 9.703 -9.696 778 2HG ARG 15 2HG ARG 15 45.220 10.082 -8.014 779 1HD ARG 15 1HD ARG 15 43.682 11.751 -7.973 780 2HD ARG 15 2HD ARG 15 44.295 12.437 -9.491 781 HE ARG 15 HE ARG 15 42.705 9.937 -9.666 782 1HH1 ARG 15 1HH1 ARG 15 43.543 12.157 -11.755 783 2HH1 ARG 15 2HH1 ARG 15 41.976 12.804 -12.109 784 1HH2 ARG 15 1HH2 ARG 15 40.438 11.272 -9.407 785 2HH2 ARG 15 2HH2 ARG 15 40.218 12.303 -10.782 786 H ALA 16 H ALA 16 45.930 12.870 -13.055 787 HA ALA 16 HA ALA 16 45.557 15.156 -13.549 788 1HB ALA 16 1HB ALA 16 44.098 14.600 -11.366 789 2HB ALA 16 2HB ALA 16 45.229 15.739 -10.636 790 3HB ALA 16 3HB ALA 16 44.226 16.242 -11.996 791 H LYS 17 H LYS 17 46.914 16.984 -13.686 792 HA LYS 17 HA LYS 17 48.913 18.218 -13.429 793 1HB LYS 17 1HB LYS 17 47.835 18.700 -11.284 794 2HB LYS 17 2HB LYS 17 48.452 17.191 -10.610 795 1HG LYS 17 1HG LYS 17 50.265 18.349 -9.936 796 2HG LYS 17 2HG LYS 17 50.716 18.474 -11.637 797 1HD LYS 17 1HD LYS 17 48.659 20.411 -10.940 798 2HD LYS 17 2HD LYS 17 50.093 20.601 -9.930 799 1HE LYS 17 1HE LYS 17 51.075 20.153 -12.540 800 2HE LYS 17 2HE LYS 17 49.749 21.321 -12.711 801 1HZ LYS 17 1HZ LYS 17 50.854 22.238 -10.506 802 2HZ LYS 17 2HZ LYS 17 52.241 21.552 -11.203 803 3HZ LYS 17 3HZ LYS 17 51.369 22.743 -12.044 Start of MODEL 9 1 1H MET 1 1H MET 1 61.047 -15.805 18.514 2 2H MET 1 2H MET 1 62.217 -16.445 19.565 3 3H MET 1 3H MET 1 61.283 -15.114 20.048 4 HA MET 1 HA MET 1 63.480 -14.352 19.425 5 1HB MET 1 1HB MET 1 62.804 -16.215 17.201 6 2HB MET 1 2HB MET 1 63.780 -14.806 16.779 7 1HG MET 1 1HG MET 1 64.446 -16.654 19.083 8 2HG MET 1 2HG MET 1 65.115 -16.847 17.462 9 1HE MET 1 1HE MET 1 66.793 -15.947 16.560 10 2HE MET 1 2HE MET 1 66.345 -14.270 16.259 11 3HE MET 1 3HE MET 1 67.860 -14.649 17.090 12 H ASP 2 H ASP 2 61.292 -14.488 16.589 13 HA ASP 2 HA ASP 2 60.249 -11.798 17.099 14 1HB ASP 2 1HB ASP 2 61.354 -10.923 14.971 15 2HB ASP 2 2HB ASP 2 62.446 -11.196 16.329 16 H ASP 3 H ASP 3 58.840 -14.161 16.691 17 HA ASP 3 HA ASP 3 58.117 -14.475 13.867 18 1HB ASP 3 1HB ASP 3 58.146 -16.189 15.825 19 2HB ASP 3 2HB ASP 3 56.593 -15.481 16.270 20 H ILE 4 H ILE 4 57.396 -12.262 13.386 21 HA ILE 4 HA ILE 4 54.563 -11.836 14.143 22 HB ILE 4 HB ILE 4 55.487 -9.305 14.494 23 1HG1 ILE 4 1HG1 ILE 4 57.659 -11.121 15.595 24 2HG1 ILE 4 2HG1 ILE 4 57.858 -10.017 14.235 25 1HG2 ILE 4 1HG2 ILE 4 55.182 -11.578 16.453 26 2HG2 ILE 4 2HG2 ILE 4 55.519 -9.933 16.992 27 3HG2 ILE 4 3HG2 ILE 4 54.043 -10.282 16.091 28 1HD1 ILE 4 1HD1 ILE 4 56.806 -8.342 16.123 29 2HD1 ILE 4 2HD1 ILE 4 57.756 -9.438 17.127 30 3HD1 ILE 4 3HD1 ILE 4 58.534 -8.538 15.824 31 H TYR 5 H TYR 5 57.315 -10.231 12.477 32 HA TYR 5 HA TYR 5 55.530 -9.156 10.411 33 1HB TYR 5 1HB TYR 5 58.514 -9.185 10.921 34 2HB TYR 5 2HB TYR 5 57.808 -8.411 9.501 35 HD1 TYR 5 HD1 TYR 5 57.709 -8.452 13.232 36 HD2 TYR 5 HD2 TYR 5 56.833 -6.257 9.646 37 HE1 TYR 5 HE1 TYR 5 57.168 -6.450 14.591 38 HE2 TYR 5 HE2 TYR 5 56.294 -4.254 11.004 39 HH TYR 5 HH TYR 5 56.916 -3.373 13.310 40 H LYS 6 H LYS 6 58.295 -11.449 10.406 41 HA LYS 6 HA LYS 6 58.291 -12.301 7.770 42 1HB LYS 6 1HB LYS 6 58.703 -13.649 10.425 43 2HB LYS 6 2HB LYS 6 58.801 -14.609 8.948 44 1HG LYS 6 1HG LYS 6 60.361 -12.635 8.138 45 2HG LYS 6 2HG LYS 6 60.566 -12.367 9.868 46 1HD LYS 6 1HD LYS 6 61.964 -14.123 10.025 47 2HD LYS 6 2HD LYS 6 60.766 -15.188 9.287 48 1HE LYS 6 1HE LYS 6 62.014 -15.256 7.401 49 2HE LYS 6 2HE LYS 6 61.836 -13.499 7.230 50 1HZ LYS 6 1HZ LYS 6 63.570 -13.387 9.084 51 2HZ LYS 6 2HZ LYS 6 63.918 -15.003 8.690 52 3HZ LYS 6 3HZ LYS 6 64.113 -13.787 7.524 53 H ALA 7 H ALA 7 55.886 -12.999 10.244 54 HA ALA 7 HA ALA 7 54.535 -15.096 8.725 55 1HB ALA 7 1HB ALA 7 54.459 -13.823 11.322 56 2HB ALA 7 2HB ALA 7 52.827 -13.938 10.662 57 3HB ALA 7 3HB ALA 7 53.809 -15.392 10.845 58 H ALA 8 H ALA 8 54.190 -11.597 9.139 59 HA ALA 8 HA ALA 8 51.616 -11.360 7.845 60 1HB ALA 8 1HB ALA 8 53.929 -9.453 8.324 61 2HB ALA 8 2HB ALA 8 52.346 -8.945 7.735 62 3HB ALA 8 3HB ALA 8 52.500 -9.659 9.340 63 H VAL 9 H VAL 9 54.958 -10.770 6.702 64 HA VAL 9 HA VAL 9 54.470 -10.028 4.050 65 HB VAL 9 HB VAL 9 56.606 -11.963 4.996 66 1HG1 VAL 9 1HG1 VAL 9 56.521 -9.823 2.850 67 2HG1 VAL 9 2HG1 VAL 9 57.976 -10.698 3.325 68 3HG1 VAL 9 3HG1 VAL 9 56.624 -11.564 2.596 69 1HG2 VAL 9 1HG2 VAL 9 56.006 -9.230 5.831 70 2HG2 VAL 9 2HG2 VAL 9 57.161 -10.377 6.509 71 3HG2 VAL 9 3HG2 VAL 9 57.622 -9.369 5.137 72 H GLU 10 H GLU 10 54.715 -13.338 5.370 73 HA GLU 10 HA GLU 10 54.337 -14.767 2.936 74 1HB GLU 10 1HB GLU 10 54.504 -15.218 5.755 75 2HB GLU 10 2HB GLU 10 53.105 -16.106 5.150 76 1HG GLU 10 1HG GLU 10 54.845 -16.740 3.212 77 2HG GLU 10 2HG GLU 10 55.996 -16.466 4.519 78 H GLN 11 H GLN 11 52.148 -12.795 4.696 79 HA GLN 11 HA GLN 11 49.729 -14.181 3.684 80 1HB GLN 11 1HB GLN 11 50.487 -12.448 5.855 81 2HB GLN 11 2HB GLN 11 49.159 -11.705 4.963 82 1HG GLN 11 1HG GLN 11 47.677 -13.369 5.511 83 2HG GLN 11 2HG GLN 11 48.923 -14.618 5.519 84 1HE2 GLN 11 2HE2 GLN 11 49.837 -15.175 7.536 85 2HE2 GLN 11 1HE2 GLN 11 49.495 -14.365 8.988 86 H LEU 12 H LEU 12 51.680 -12.815 1.838 87 HA LEU 12 HA LEU 12 49.844 -10.713 0.732 88 1HB LEU 12 1HB LEU 12 52.858 -11.050 0.650 89 2HB LEU 12 2HB LEU 12 51.985 -9.807 -0.246 90 HG LEU 12 HG LEU 12 51.761 -10.155 2.754 91 1HD1 LEU 12 1HD1 LEU 12 54.097 -9.554 1.866 92 2HD1 LEU 12 2HD1 LEU 12 53.375 -8.043 1.313 93 3HD1 LEU 12 3HD1 LEU 12 53.387 -8.437 3.031 94 1HD2 LEU 12 1HD2 LEU 12 50.343 -8.627 0.794 95 2HD2 LEU 12 2HD2 LEU 12 50.134 -8.609 2.545 96 3HD2 LEU 12 3HD2 LEU 12 51.280 -7.506 1.782 97 H THR 13 H THR 13 48.681 -12.029 -0.742 98 HA THR 13 HA THR 13 49.711 -14.139 -2.328 99 HB THR 13 HB THR 13 47.698 -13.713 -3.683 100 HG1 THR 13 HG1 THR 13 47.445 -11.632 -3.975 101 1HG2 THR 13 1HG2 THR 13 47.751 -13.883 -0.795 102 2HG2 THR 13 2HG2 THR 13 46.304 -13.034 -1.336 103 3HG2 THR 13 3HG2 THR 13 46.648 -14.658 -1.933 104 H GLU 14 H GLU 14 49.579 -13.754 -4.936 105 HA GLU 14 HA GLU 14 51.929 -12.275 -5.648 106 1HB GLU 14 1HB GLU 14 49.744 -13.799 -6.944 107 2HB GLU 14 2HB GLU 14 50.556 -12.630 -7.984 108 1HG GLU 14 1HG GLU 14 51.971 -14.427 -8.284 109 2HG GLU 14 2HG GLU 14 52.729 -13.708 -6.864 110 H GLU 15 H GLU 15 48.491 -11.440 -5.654 111 HA GLU 15 HA GLU 15 48.608 -9.079 -7.251 112 1HB GLU 15 1HB GLU 15 46.858 -10.200 -5.083 113 2HB GLU 15 2HB GLU 15 46.575 -8.551 -5.639 114 1HG GLU 15 1HG GLU 15 46.782 -10.915 -7.518 115 2HG GLU 15 2HG GLU 15 45.250 -10.328 -6.871 116 H GLN 16 H GLN 16 49.193 -9.606 -3.779 117 HA GLN 16 HA GLN 16 49.561 -6.750 -3.221 118 1HB GLN 16 1HB GLN 16 50.524 -9.005 -1.476 119 2HB GLN 16 2HB GLN 16 49.777 -7.481 -1.001 120 1HG GLN 16 1HG GLN 16 47.688 -8.419 -2.286 121 2HG GLN 16 2HG GLN 16 48.479 -9.979 -2.045 122 1HE2 GLN 16 2HE2 GLN 16 48.165 -7.061 0.065 123 2HE2 GLN 16 1HE2 GLN 16 47.541 -7.914 1.394 124 H LYS 17 H LYS 17 51.749 -9.582 -3.051 125 HA LYS 17 HA LYS 17 54.194 -8.317 -2.677 126 1HB LYS 17 1HB LYS 17 53.187 -10.826 -3.536 127 2HB LYS 17 2HB LYS 17 54.437 -10.368 -4.694 128 1HG LYS 17 1HG LYS 17 56.013 -10.939 -3.196 129 2HG LYS 17 2HG LYS 17 55.401 -9.700 -2.100 130 1HD LYS 17 1HD LYS 17 54.555 -11.271 -0.732 131 2HD LYS 17 2HD LYS 17 53.625 -11.967 -2.061 132 1HE LYS 17 1HE LYS 17 56.554 -12.550 -2.028 133 2HE LYS 17 2HE LYS 17 55.547 -13.374 -0.820 134 1HZ LYS 17 1HZ LYS 17 54.921 -13.229 -3.722 135 2HZ LYS 17 2HZ LYS 17 55.633 -14.572 -2.963 136 3HZ LYS 17 3HZ LYS 17 54.059 -14.096 -2.543 137 H ASN 18 H ASN 18 52.749 -9.038 -5.883 138 HA ASN 18 HA ASN 18 54.676 -7.733 -7.486 139 1HB ASN 18 1HB ASN 18 51.670 -7.976 -7.852 140 2HB ASN 18 2HB ASN 18 52.840 -7.694 -9.142 141 1HD2 ASN 18 2HD2 ASN 18 51.165 -10.020 -9.147 142 2HD2 ASN 18 1HD2 ASN 18 52.146 -11.384 -8.907 143 H GLU 19 H GLU 19 52.095 -6.403 -5.516 144 HA GLU 19 HA GLU 19 51.894 -3.810 -6.724 145 1HB GLU 19 1HB GLU 19 50.753 -5.257 -4.638 146 2HB GLU 19 2HB GLU 19 51.570 -3.927 -3.815 147 1HG GLU 19 1HG GLU 19 50.343 -2.779 -6.077 148 2HG GLU 19 2HG GLU 19 49.142 -3.870 -5.385 149 H PHE 20 H PHE 20 53.794 -4.924 -3.893 150 HA PHE 20 HA PHE 20 55.149 -2.460 -3.402 151 1HB PHE 20 1HB PHE 20 55.990 -5.347 -2.957 152 2HB PHE 20 2HB PHE 20 56.696 -3.947 -2.149 153 HD1 PHE 20 HD1 PHE 20 54.984 -2.348 -0.939 154 HD2 PHE 20 HD2 PHE 20 54.186 -6.444 -1.956 155 HE1 PHE 20 HE1 PHE 20 53.185 -2.420 0.764 156 HE2 PHE 20 HE2 PHE 20 52.386 -6.516 -0.251 157 HZ PHE 20 HZ PHE 20 51.885 -4.503 1.108 158 H LYS 21 H LYS 21 55.892 -5.184 -5.556 159 HA LYS 21 HA LYS 21 58.524 -4.657 -6.313 160 1HB LYS 21 1HB LYS 21 56.051 -5.619 -7.736 161 2HB LYS 21 2HB LYS 21 57.564 -5.456 -8.628 162 1HG LYS 21 1HG LYS 21 58.094 -6.756 -6.118 163 2HG LYS 21 2HG LYS 21 56.775 -7.596 -6.934 164 1HD LYS 21 1HD LYS 21 58.915 -6.851 -8.779 165 2HD LYS 21 2HD LYS 21 59.485 -7.904 -7.484 166 1HE LYS 21 1HE LYS 21 58.709 -9.529 -8.945 167 2HE LYS 21 2HE LYS 21 57.186 -9.190 -8.100 168 1HZ LYS 21 1HZ LYS 21 58.078 -7.622 -10.450 169 2HZ LYS 21 2HZ LYS 21 57.124 -9.015 -10.610 170 3HZ LYS 21 3HZ LYS 21 56.530 -7.675 -9.751 171 H ALA 22 H ALA 22 55.640 -2.796 -7.039 172 HA ALA 22 HA ALA 22 56.586 -1.272 -9.261 173 1HB ALA 22 1HB ALA 22 54.296 -1.512 -7.792 174 2HB ALA 22 2HB ALA 22 54.879 0.056 -7.234 175 3HB ALA 22 3HB ALA 22 54.578 -0.213 -8.951 176 H ALA 23 H ALA 23 56.239 -0.003 -5.933 177 HA ALA 23 HA ALA 23 57.882 2.244 -6.170 178 1HB ALA 23 1HB ALA 23 56.398 1.354 -4.248 179 2HB ALA 23 2HB ALA 23 57.825 0.453 -3.735 180 3HB ALA 23 3HB ALA 23 57.867 2.215 -3.789 181 H PHE 24 H PHE 24 58.851 -1.091 -5.344 182 HA PHE 24 HA PHE 24 61.562 -0.730 -4.744 183 1HB PHE 24 1HB PHE 24 60.338 -2.853 -4.613 184 2HB PHE 24 2HB PHE 24 60.182 -2.890 -6.370 185 HD1 PHE 24 HD1 PHE 24 62.621 -3.011 -3.565 186 HD2 PHE 24 HD2 PHE 24 61.969 -3.638 -7.765 187 HE1 PHE 24 HE1 PHE 24 64.831 -4.121 -3.742 188 HE2 PHE 24 HE2 PHE 24 64.180 -4.748 -7.942 189 HZ PHE 24 HZ PHE 24 65.612 -4.990 -5.931 190 H ASP 25 H ASP 25 60.074 -1.084 -7.977 191 HA ASP 25 HA ASP 25 62.527 -0.908 -9.466 192 1HB ASP 25 1HB ASP 25 59.583 -0.599 -9.967 193 2HB ASP 25 2HB ASP 25 60.713 -0.138 -11.241 194 H ILE 26 H ILE 26 60.134 1.546 -8.464 195 HA ILE 26 HA ILE 26 61.487 3.744 -9.807 196 HB ILE 26 HB ILE 26 59.310 3.417 -7.738 197 1HG1 ILE 26 1HG1 ILE 26 58.253 4.804 -9.806 198 2HG1 ILE 26 2HG1 ILE 26 59.530 3.936 -10.660 199 1HG2 ILE 26 1HG2 ILE 26 60.607 5.497 -7.241 200 2HG2 ILE 26 2HG2 ILE 26 60.302 6.041 -8.890 201 3HG2 ILE 26 3HG2 ILE 26 58.958 5.829 -7.769 202 1HD1 ILE 26 1HD1 ILE 26 57.849 2.385 -8.739 203 2HD1 ILE 26 2HD1 ILE 26 57.120 2.846 -10.277 204 3HD1 ILE 26 3HD1 ILE 26 58.588 1.869 -10.255 205 H PHE 27 H PHE 27 61.821 2.133 -6.740 206 HA PHE 27 HA PHE 27 63.115 4.275 -5.278 207 1HB PHE 27 1HB PHE 27 62.635 1.336 -5.061 208 2HB PHE 27 2HB PHE 27 63.906 2.020 -4.049 209 HD1 PHE 27 HD1 PHE 27 60.906 3.866 -5.183 210 HD2 PHE 27 HD2 PHE 27 62.789 1.811 -1.915 211 HE1 PHE 27 HE1 PHE 27 59.188 4.756 -3.633 212 HE2 PHE 27 HE2 PHE 27 61.071 2.701 -0.365 213 HZ PHE 27 HZ PHE 27 59.270 4.175 -1.223 214 H VAL 28 H VAL 28 64.401 1.362 -6.955 215 HA VAL 28 HA VAL 28 67.176 2.317 -6.646 216 HB VAL 28 HB VAL 28 67.702 0.160 -7.627 217 1HG1 VAL 28 1HG1 VAL 28 65.353 0.159 -5.727 218 2HG1 VAL 28 2HG1 VAL 28 66.141 -1.337 -6.227 219 3HG1 VAL 28 3HG1 VAL 28 67.058 -0.106 -5.360 220 1HG2 VAL 28 1HG2 VAL 28 64.858 0.370 -8.576 221 2HG2 VAL 28 2HG2 VAL 28 66.303 -0.091 -9.477 222 3HG2 VAL 28 3HG2 VAL 28 65.573 -1.226 -8.341 223 H LEU 29 H LEU 29 64.939 3.572 -8.502 224 HA LEU 29 HA LEU 29 65.492 3.262 -11.210 225 1HB LEU 29 1HB LEU 29 63.895 4.829 -9.831 226 2HB LEU 29 2HB LEU 29 65.207 5.998 -9.987 227 HG LEU 29 HG LEU 29 64.223 4.522 -12.416 228 1HD1 LEU 29 1HD1 LEU 29 62.851 6.708 -10.903 229 2HD1 LEU 29 2HD1 LEU 29 62.845 6.789 -12.665 230 3HD1 LEU 29 3HD1 LEU 29 62.155 5.389 -11.845 231 1HD2 LEU 29 1HD2 LEU 29 66.240 6.358 -11.938 232 2HD2 LEU 29 2HD2 LEU 29 65.523 6.024 -13.515 233 3HD2 LEU 29 3HD2 LEU 29 64.930 7.372 -12.544 234 H GLY 30 H GLY 30 67.392 5.085 -8.819 235 1HA GLY 30 1HA GLY 30 69.314 5.875 -10.935 236 2HA GLY 30 2HA GLY 30 69.322 6.461 -9.270 237 H ALA 31 H ALA 31 68.832 3.310 -8.811 238 HA ALA 31 HA ALA 31 71.603 2.792 -8.073 239 1HB ALA 31 1HB ALA 31 68.918 1.595 -7.792 240 2HB ALA 31 2HB ALA 31 70.231 0.419 -7.853 241 3HB ALA 31 3HB ALA 31 70.235 1.683 -6.622 242 H GLU 32 H GLU 32 72.963 1.152 -8.997 243 HA GLU 32 HA GLU 32 72.346 0.544 -11.855 244 1HB GLU 32 1HB GLU 32 74.403 1.759 -11.414 245 2HB GLU 32 2HB GLU 32 74.884 0.580 -10.195 246 1HG GLU 32 1HG GLU 32 76.103 -0.010 -12.158 247 2HG GLU 32 2HG GLU 32 74.780 -1.172 -12.059 248 H ASP 33 H ASP 33 72.596 -0.916 -8.742 249 HA ASP 33 HA ASP 33 72.918 -3.638 -9.936 250 1HB ASP 33 1HB ASP 33 73.599 -2.272 -7.407 251 2HB ASP 33 2HB ASP 33 72.970 -3.907 -7.200 252 H GLY 34 H GLY 34 71.279 -2.787 -6.911 253 1HA GLY 34 1HA GLY 34 68.592 -2.911 -7.801 254 2HA GLY 34 2HA GLY 34 69.086 -4.557 -7.406 255 H CYS 35 H CYS 35 70.296 -1.692 -5.739 256 HA CYS 35 HA CYS 35 68.842 -2.620 -3.281 257 1HB CYS 35 1HB CYS 35 70.826 -1.804 -2.067 258 2HB CYS 35 2HB CYS 35 71.312 -2.956 -3.312 259 HG CYS 35 HG CYS 35 71.405 -0.165 -4.444 260 H ILE 36 H ILE 36 68.369 -0.788 -1.722 261 HA ILE 36 HA ILE 36 67.989 1.800 -3.197 262 HB ILE 36 HB ILE 36 66.150 0.383 -1.248 263 1HG1 ILE 36 1HG1 ILE 36 65.622 1.101 -4.137 264 2HG1 ILE 36 2HG1 ILE 36 66.357 -0.438 -3.685 265 1HG2 ILE 36 1HG2 ILE 36 66.423 3.156 -1.955 266 2HG2 ILE 36 2HG2 ILE 36 64.903 2.551 -2.612 267 3HG2 ILE 36 3HG2 ILE 36 65.232 2.408 -0.887 268 1HD1 ILE 36 1HD1 ILE 36 63.914 0.344 -2.186 269 2HD1 ILE 36 2HD1 ILE 36 63.687 -0.112 -3.874 270 3HD1 ILE 36 3HD1 ILE 36 64.429 -1.245 -2.745 271 H SER 37 H SER 37 69.521 3.095 -2.220 272 HA SER 37 HA SER 37 69.653 3.126 0.770 273 1HB SER 37 1HB SER 37 71.599 4.801 -0.489 274 2HB SER 37 2HB SER 37 71.875 3.274 0.343 275 HG SER 37 HG SER 37 72.506 2.792 -1.650 276 H THR 38 H THR 38 69.886 5.493 1.637 277 HA THR 38 HA THR 38 67.643 7.061 1.129 278 HB THR 38 HB THR 38 69.001 8.904 2.086 279 HG1 THR 38 HG1 THR 38 71.257 8.414 2.423 280 1HG2 THR 38 1HG2 THR 38 68.324 6.647 3.337 281 2HG2 THR 38 2HG2 THR 38 70.077 6.481 3.457 282 3HG2 THR 38 3HG2 THR 38 69.275 7.896 4.141 283 H LYS 39 H LYS 39 70.550 6.758 -0.814 284 HA LYS 39 HA LYS 39 70.143 9.108 -2.465 285 1HB LYS 39 1HB LYS 39 72.145 7.317 -2.008 286 2HB LYS 39 2HB LYS 39 71.522 6.708 -3.542 287 1HG LYS 39 1HG LYS 39 72.370 8.457 -4.695 288 2HG LYS 39 2HG LYS 39 71.761 9.622 -3.518 289 1HD LYS 39 1HD LYS 39 74.034 9.897 -3.192 290 2HD LYS 39 2HD LYS 39 73.720 8.609 -2.028 291 1HE LYS 39 1HE LYS 39 74.619 6.942 -3.446 292 2HE LYS 39 2HE LYS 39 74.479 7.971 -4.886 293 1HZ LYS 39 1HZ LYS 39 76.052 8.966 -2.625 294 2HZ LYS 39 2HZ LYS 39 76.747 7.756 -3.595 295 3HZ LYS 39 3HZ LYS 39 76.264 9.231 -4.288 296 H GLU 40 H GLU 40 69.259 5.656 -2.743 297 HA GLU 40 HA GLU 40 67.856 6.124 -5.306 298 1HB GLU 40 1HB GLU 40 68.320 3.748 -3.476 299 2HB GLU 40 2HB GLU 40 67.383 3.641 -4.965 300 1HG GLU 40 1HG GLU 40 69.321 3.293 -6.055 301 2HG GLU 40 2HG GLU 40 69.739 4.969 -5.698 302 H LEU 41 H LEU 41 67.232 5.797 -1.889 303 HA LEU 41 HA LEU 41 64.344 5.409 -2.132 304 1HB LEU 41 1HB LEU 41 66.019 4.702 -0.273 305 2HB LEU 41 2HB LEU 41 65.908 6.373 0.271 306 HG LEU 41 HG LEU 41 64.264 5.247 1.541 307 1HD1 LEU 41 1HD1 LEU 41 63.462 7.301 0.330 308 2HD1 LEU 41 2HD1 LEU 41 62.753 6.238 -0.890 309 3HD1 LEU 41 3HD1 LEU 41 62.173 6.181 0.778 310 1HD2 LEU 41 1HD2 LEU 41 63.657 3.804 -1.045 311 2HD2 LEU 41 2HD2 LEU 41 64.163 3.114 0.498 312 3HD2 LEU 41 3HD2 LEU 41 62.540 3.778 0.319 313 H GLY 42 H GLY 42 66.383 8.075 -0.859 314 1HA GLY 42 1HA GLY 42 64.383 10.010 -0.544 315 2HA GLY 42 2HA GLY 42 66.057 10.400 -0.940 316 H LYS 43 H LYS 43 65.773 8.765 -3.488 317 HA LYS 43 HA LYS 43 65.250 10.855 -5.316 318 1HB LYS 43 1HB LYS 43 65.574 7.923 -5.311 319 2HB LYS 43 2HB LYS 43 64.666 8.544 -6.689 320 1HG LYS 43 1HG LYS 43 67.122 10.046 -5.961 321 2HG LYS 43 2HG LYS 43 67.367 8.440 -6.646 322 1HD LYS 43 1HD LYS 43 65.320 9.884 -8.106 323 2HD LYS 43 2HD LYS 43 66.828 10.800 -8.059 324 1HE LYS 43 1HE LYS 43 66.720 7.862 -8.808 325 2HE LYS 43 2HE LYS 43 66.664 9.172 -10.003 326 1HZ LYS 43 1HZ LYS 43 68.665 10.015 -8.501 327 2HZ LYS 43 2HZ LYS 43 68.855 8.346 -8.261 328 3HZ LYS 43 3HZ LYS 43 68.903 8.988 -9.834 329 H VAL 44 H VAL 44 63.044 8.450 -3.912 330 HA VAL 44 HA VAL 44 60.779 9.252 -5.580 331 HB VAL 44 HB VAL 44 61.196 7.522 -3.132 332 1HG1 VAL 44 1HG1 VAL 44 58.660 8.340 -4.535 333 2HG1 VAL 44 2HG1 VAL 44 58.783 6.754 -3.772 334 3HG1 VAL 44 3HG1 VAL 44 58.977 8.216 -2.805 335 1HG2 VAL 44 1HG2 VAL 44 60.862 7.109 -6.085 336 2HG2 VAL 44 2HG2 VAL 44 61.992 6.339 -4.972 337 3HG2 VAL 44 3HG2 VAL 44 60.297 5.854 -4.983 338 H MET 45 H MET 45 62.069 10.090 -2.408 339 HA MET 45 HA MET 45 59.828 11.325 -1.212 340 1HB MET 45 1HB MET 45 62.799 11.536 -1.106 341 2HB MET 45 2HB MET 45 61.892 12.861 -0.374 342 1HG MET 45 1HG MET 45 62.282 11.181 1.332 343 2HG MET 45 2HG MET 45 60.569 11.155 0.915 344 1HE MET 45 1HE MET 45 59.354 9.642 0.268 345 2HE MET 45 2HE MET 45 59.799 9.071 -1.346 346 3HE MET 45 3HE MET 45 59.678 7.932 -0.008 347 H ARG 46 H ARG 46 62.351 12.870 -3.247 348 HA ARG 46 HA ARG 46 61.127 15.445 -3.385 349 1HB ARG 46 1HB ARG 46 62.605 15.613 -5.440 350 2HB ARG 46 2HB ARG 46 63.440 15.051 -3.991 351 1HG ARG 46 1HG ARG 46 64.019 13.156 -5.049 352 2HG ARG 46 2HG ARG 46 62.315 12.772 -5.298 353 1HD ARG 46 1HD ARG 46 63.171 12.873 -7.504 354 2HD ARG 46 2HD ARG 46 62.481 14.492 -7.277 355 HE ARG 46 HE ARG 46 64.828 15.192 -6.562 356 1HH1 ARG 46 1HH2 ARG 46 64.527 14.548 -9.553 357 2HH1 ARG 46 2HH2 ARG 46 65.969 13.628 -9.830 358 1HH2 ARG 46 1HH1 ARG 46 66.583 13.083 -6.461 359 2HH2 ARG 46 2HH1 ARG 46 67.131 12.797 -8.080 360 H MET 47 H MET 47 60.284 12.445 -4.865 361 HA MET 47 HA MET 47 58.856 13.619 -7.150 362 1HB MET 47 1HB MET 47 59.756 11.041 -6.170 363 2HB MET 47 2HB MET 47 58.077 10.948 -6.705 364 1HG MET 47 1HG MET 47 59.186 12.453 -8.702 365 2HG MET 47 2HG MET 47 60.533 11.393 -8.283 366 1HE MET 47 1HE MET 47 59.407 9.139 -7.097 367 2HE MET 47 2HE MET 47 58.648 7.963 -8.166 368 3HE MET 47 3HE MET 47 60.289 8.511 -8.496 369 H LEU 48 H LEU 48 58.047 12.268 -3.960 370 HA LEU 48 HA LEU 48 55.189 12.283 -4.302 371 1HB LEU 48 1HB LEU 48 56.989 12.464 -1.865 372 2HB LEU 48 2HB LEU 48 55.260 12.115 -1.804 373 HG LEU 48 HG LEU 48 57.199 10.465 -3.439 374 1HD1 LEU 48 1HD1 LEU 48 57.790 10.429 -1.005 375 2HD1 LEU 48 2HD1 LEU 48 56.152 9.878 -0.653 376 3HD1 LEU 48 3HD1 LEU 48 57.238 8.865 -1.604 377 1HD2 LEU 48 1HD2 LEU 48 54.688 10.451 -3.905 378 2HD2 LEU 48 2HD2 LEU 48 55.402 8.881 -3.535 379 3HD2 LEU 48 3HD2 LEU 48 54.486 9.748 -2.301 380 H GLY 49 H GLY 49 57.512 14.793 -3.668 381 1HA GLY 49 1HA GLY 49 56.743 17.119 -4.094 382 2HA GLY 49 2HA GLY 49 55.251 16.706 -3.249 383 H GLN 50 H GLN 50 58.236 15.495 -1.939 384 HA GLN 50 HA GLN 50 58.482 17.772 -0.050 385 1HB GLN 50 1HB GLN 50 56.887 15.511 0.460 386 2HB GLN 50 2HB GLN 50 58.359 15.263 1.401 387 1HG GLN 50 1HG GLN 50 57.881 17.911 1.871 388 2HG GLN 50 2HG GLN 50 56.236 17.291 1.726 389 1HE2 GLN 50 2HE2 GLN 50 57.740 18.181 4.202 390 2HE2 GLN 50 1HE2 GLN 50 57.676 16.850 5.254 391 H ASN 51 H ASN 51 60.271 17.055 1.669 392 HA ASN 51 HA ASN 51 62.294 15.198 0.597 393 1HB ASN 51 1HB ASN 51 62.409 17.437 -0.650 394 2HB ASN 51 2HB ASN 51 62.932 18.144 0.879 395 1HD2 ASN 51 2HD2 ASN 51 63.751 15.181 -1.032 396 2HD2 ASN 51 1HD2 ASN 51 65.430 15.359 -0.853 397 HA PRO 52 HA PRO 52 62.359 15.533 5.148 398 1HB PRO 52 1HB PRO 52 63.039 12.913 5.553 399 2HB PRO 52 2HB PRO 52 61.367 13.451 5.300 400 1HG PRO 52 1HG PRO 52 63.259 12.186 3.384 401 2HG PRO 52 2HG PRO 52 61.514 11.951 3.571 402 1HD PRO 52 1HD PRO 52 62.637 13.492 1.612 403 2HD PRO 52 2HD PRO 52 61.001 13.750 2.257 404 H THR 53 H THR 53 64.215 15.070 6.678 405 HA THR 53 HA THR 53 66.749 15.852 5.501 406 HB THR 53 HB THR 53 67.408 15.291 7.996 407 HG1 THR 53 HG1 THR 53 65.158 15.599 9.075 408 1HG2 THR 53 1HG2 THR 53 66.646 17.539 6.759 409 2HG2 THR 53 2HG2 THR 53 65.270 17.365 7.849 410 3HG2 THR 53 3HG2 THR 53 66.904 17.480 8.503 411 HA PRO 54 HA PRO 54 68.659 11.955 4.878 412 1HB PRO 54 1HB PRO 54 71.171 12.323 5.903 413 2HB PRO 54 2HB PRO 54 70.624 13.069 4.388 414 1HG PRO 54 1HG PRO 54 70.852 14.256 7.108 415 2HG PRO 54 2HG PRO 54 71.210 14.973 5.530 416 1HD PRO 54 1HD PRO 54 68.928 15.487 6.930 417 2HD PRO 54 2HD PRO 54 69.030 15.565 5.157 418 H GLU 55 H GLU 55 68.437 13.198 8.115 419 HA GLU 55 HA GLU 55 69.444 10.820 9.473 420 1HB GLU 55 1HB GLU 55 68.779 13.472 10.077 421 2HB GLU 55 2HB GLU 55 67.592 12.513 10.961 422 1HG GLU 55 1HG GLU 55 70.562 11.932 11.042 423 2HG GLU 55 2HG GLU 55 69.755 12.974 12.215 424 H GLU 56 H GLU 56 66.252 12.062 8.530 425 HA GLU 56 HA GLU 56 64.830 9.835 9.815 426 1HB GLU 56 1HB GLU 56 63.968 12.175 9.612 427 2HB GLU 56 2HB GLU 56 63.915 11.972 7.860 428 1HG GLU 56 1HG GLU 56 61.783 11.272 8.243 429 2HG GLU 56 2HG GLU 56 62.558 9.748 8.679 430 H LEU 57 H LEU 57 66.393 10.393 6.799 431 HA LEU 57 HA LEU 57 64.727 8.656 5.158 432 1HB LEU 57 1HB LEU 57 67.091 10.350 4.960 433 2HB LEU 57 2HB LEU 57 67.300 8.849 4.058 434 HG LEU 57 HG LEU 57 64.970 10.773 3.796 435 1HD1 LEU 57 1HD1 LEU 57 67.113 11.532 2.771 436 2HD1 LEU 57 2HD1 LEU 57 67.173 10.031 1.845 437 3HD1 LEU 57 3HD1 LEU 57 65.875 11.191 1.561 438 1HD2 LEU 57 1HD2 LEU 57 64.977 8.031 3.372 439 2HD2 LEU 57 2HD2 LEU 57 63.864 9.177 2.623 440 3HD2 LEU 57 3HD2 LEU 57 65.326 8.680 1.770 441 H GLN 58 H GLN 58 68.105 8.263 6.319 442 HA GLN 58 HA GLN 58 68.548 5.598 5.688 443 1HB GLN 58 1HB GLN 58 69.736 7.576 7.210 444 2HB GLN 58 2HB GLN 58 69.380 6.337 8.415 445 1HG GLN 58 1HG GLN 58 70.488 5.273 5.903 446 2HG GLN 58 2HG GLN 58 71.592 6.334 6.782 447 1HE2 GLN 58 2HE2 GLN 58 71.669 3.320 6.473 448 2HE2 GLN 58 1HE2 GLN 58 71.686 2.718 8.060 449 H GLU 59 H GLU 59 66.584 6.880 8.338 450 HA GLU 59 HA GLU 59 66.200 4.561 9.896 451 1HB GLU 59 1HB GLU 59 65.376 6.646 10.664 452 2HB GLU 59 2HB GLU 59 64.500 6.947 9.163 453 1HG GLU 59 1HG GLU 59 63.013 5.007 9.698 454 2HG GLU 59 2HG GLU 59 63.833 4.854 11.252 455 H MET 60 H MET 60 64.898 5.376 6.731 456 HA MET 60 HA MET 60 62.821 3.321 6.773 457 1HB MET 60 1HB MET 60 62.285 5.082 5.367 458 2HB MET 60 2HB MET 60 63.966 5.380 4.936 459 1HG MET 60 1HG MET 60 63.964 3.797 3.261 460 2HG MET 60 2HG MET 60 62.717 2.822 4.034 461 1HE MET 60 1HE MET 60 62.196 6.528 4.176 462 2HE MET 60 2HE MET 60 63.260 6.506 2.772 463 3HE MET 60 3HE MET 60 61.583 7.012 2.588 464 H ILE 61 H ILE 61 66.210 3.500 6.017 465 HA ILE 61 HA ILE 61 66.178 0.981 4.450 466 HB ILE 61 HB ILE 61 68.264 3.025 5.253 467 1HG1 ILE 61 1HG1 ILE 61 68.304 3.014 2.594 468 2HG1 ILE 61 2HG1 ILE 61 66.677 2.370 2.799 469 1HG2 ILE 61 1HG2 ILE 61 68.561 0.377 3.827 470 2HG2 ILE 61 2HG2 ILE 61 69.715 1.691 3.598 471 3HG2 ILE 61 3HG2 ILE 61 69.486 0.988 5.200 472 1HD1 ILE 61 1HD1 ILE 61 67.651 4.885 4.174 473 2HD1 ILE 61 2HD1 ILE 61 66.792 4.893 2.634 474 3HD1 ILE 61 3HD1 ILE 61 65.995 4.288 4.086 475 H ASP 62 H ASP 62 67.705 2.257 7.433 476 HA ASP 62 HA ASP 62 68.857 -0.219 8.287 477 1HB ASP 62 1HB ASP 62 68.584 2.485 9.147 478 2HB ASP 62 2HB ASP 62 68.087 1.456 10.491 479 H GLU 63 H GLU 63 65.618 1.127 8.625 480 HA GLU 63 HA GLU 63 64.554 -0.360 10.751 481 1HB GLU 63 1HB GLU 63 63.597 0.850 8.211 482 2HB GLU 63 2HB GLU 63 62.506 -0.310 8.969 483 1HG GLU 63 1HG GLU 63 63.775 1.741 10.728 484 2HG GLU 63 2HG GLU 63 62.486 2.275 9.651 485 H VAL 64 H VAL 64 65.363 -1.425 7.486 486 HA VAL 64 HA VAL 64 64.580 -4.213 8.275 487 HB VAL 64 HB VAL 64 63.879 -4.513 5.937 488 1HG1 VAL 64 1HG1 VAL 64 62.290 -3.539 7.625 489 2HG1 VAL 64 2HG1 VAL 64 62.734 -1.934 7.046 490 3HG1 VAL 64 3HG1 VAL 64 61.928 -3.071 5.965 491 1HG2 VAL 64 1HG2 VAL 64 65.646 -2.569 5.323 492 2HG2 VAL 64 2HG2 VAL 64 64.300 -2.992 4.265 493 3HG2 VAL 64 3HG2 VAL 64 64.168 -1.607 5.349 494 H ASP 65 H ASP 65 67.224 -2.812 8.435 495 HA ASP 65 HA ASP 65 68.763 -4.305 6.347 496 1HB ASP 65 1HB ASP 65 68.913 -1.762 6.723 497 2HB ASP 65 2HB ASP 65 69.748 -2.150 8.228 498 H GLU 66 H GLU 66 68.596 -6.357 7.539 499 HA GLU 66 HA GLU 66 69.760 -6.491 10.250 500 1HB GLU 66 1HB GLU 66 67.987 -7.994 8.554 501 2HB GLU 66 2HB GLU 66 69.290 -9.051 9.098 502 1HG GLU 66 1HG GLU 66 68.575 -7.531 11.356 503 2HG GLU 66 2HG GLU 66 67.049 -8.003 10.605 504 H ASP 67 H ASP 67 71.447 -5.718 7.864 505 HA ASP 67 HA ASP 67 73.522 -7.855 8.188 506 1HB ASP 67 1HB ASP 67 74.003 -7.340 5.707 507 2HB ASP 67 2HB ASP 67 72.537 -8.256 6.059 508 H GLY 68 H GLY 68 72.759 -4.453 7.574 509 1HA GLY 68 1HA GLY 68 74.097 -2.645 8.450 510 2HA GLY 68 2HA GLY 68 75.475 -3.745 8.538 511 H SER 69 H SER 69 73.703 -4.001 5.636 512 HA SER 69 HA SER 69 75.937 -3.120 4.024 513 1HB SER 69 1HB SER 69 74.011 -3.369 2.245 514 2HB SER 69 2HB SER 69 74.591 -4.797 3.097 515 HG SER 69 HG SER 69 72.253 -4.485 3.055 516 H GLY 70 H GLY 70 73.410 -1.425 5.583 517 1HA GLY 70 1HA GLY 70 72.836 0.854 5.534 518 2HA GLY 70 2HA GLY 70 74.262 1.117 4.528 519 H THR 71 H THR 71 71.853 -1.207 3.557 520 HA THR 71 HA THR 71 70.585 0.727 1.687 521 HB THR 71 HB THR 71 71.124 -1.107 -0.116 522 HG1 THR 71 HG1 THR 71 72.404 -2.602 0.556 523 1HG2 THR 71 1HG2 THR 71 73.209 0.778 1.014 524 2HG2 THR 71 2HG2 THR 71 73.313 0.011 -0.570 525 3HG2 THR 71 3HG2 THR 71 72.013 1.152 -0.227 526 H VAL 72 H VAL 72 68.940 -0.708 0.269 527 HA VAL 72 HA VAL 72 67.625 -2.657 2.136 528 HB VAL 72 HB VAL 72 66.556 -0.425 0.401 529 1HG1 VAL 72 1HG1 VAL 72 65.251 -2.946 1.288 530 2HG1 VAL 72 2HG1 VAL 72 64.319 -1.464 1.496 531 3HG1 VAL 72 3HG1 VAL 72 64.896 -1.926 -0.106 532 1HG2 VAL 72 1HG2 VAL 72 66.423 -1.154 3.336 533 2HG2 VAL 72 2HG2 VAL 72 67.146 0.283 2.613 534 3HG2 VAL 72 3HG2 VAL 72 65.393 0.085 2.616 535 H ASP 73 H ASP 73 66.576 -4.447 1.126 536 HA ASP 73 HA ASP 73 67.184 -4.821 -1.790 537 1HB ASP 73 1HB ASP 73 67.197 -6.914 0.407 538 2HB ASP 73 2HB ASP 73 67.762 -7.116 -1.252 539 H PHE 74 H PHE 74 65.674 -6.421 -2.827 540 HA PHE 74 HA PHE 74 62.943 -5.838 -2.437 541 1HB PHE 74 1HB PHE 74 64.025 -6.883 -4.431 542 2HB PHE 74 2HB PHE 74 64.213 -8.378 -3.514 543 HD1 PHE 74 HD1 PHE 74 61.426 -5.886 -3.882 544 HD2 PHE 74 HD2 PHE 74 62.673 -9.985 -4.205 545 HE1 PHE 74 HE1 PHE 74 59.110 -6.544 -4.480 546 HE2 PHE 74 HE2 PHE 74 60.357 -10.642 -4.803 547 HZ PHE 74 HZ PHE 74 58.576 -8.921 -4.940 548 H ASP 75 H ASP 75 65.008 -7.933 -0.611 549 HA ASP 75 HA ASP 75 62.829 -9.585 0.475 550 1HB ASP 75 1HB ASP 75 65.778 -9.254 1.106 551 2HB ASP 75 2HB ASP 75 64.741 -10.474 1.847 552 H GLU 76 H GLU 76 64.848 -6.853 1.526 553 HA GLU 76 HA GLU 76 63.665 -6.802 4.215 554 1HB GLU 76 1HB GLU 76 65.426 -4.839 2.707 555 2HB GLU 76 2HB GLU 76 65.148 -4.850 4.450 556 1HG GLU 76 1HG GLU 76 66.239 -6.979 4.692 557 2HG GLU 76 2HG GLU 76 66.305 -7.208 2.944 558 H PHE 77 H PHE 77 63.356 -4.972 1.178 559 HA PHE 77 HA PHE 77 61.821 -2.779 1.963 560 1HB PHE 77 1HB PHE 77 62.655 -3.304 -0.316 561 2HB PHE 77 2HB PHE 77 61.440 -4.576 -0.454 562 HD1 PHE 77 HD1 PHE 77 59.000 -3.982 -0.407 563 HD2 PHE 77 HD2 PHE 77 62.086 -1.001 -0.620 564 HE1 PHE 77 HE1 PHE 77 57.331 -2.306 -1.153 565 HE2 PHE 77 HE2 PHE 77 60.417 0.674 -1.366 566 HZ PHE 77 HZ PHE 77 58.039 0.021 -1.633 567 H LEU 78 H LEU 78 60.632 -6.083 1.250 568 HA LEU 78 HA LEU 78 57.877 -5.739 1.490 569 1HB LEU 78 1HB LEU 78 59.871 -7.864 2.079 570 2HB LEU 78 2HB LEU 78 58.267 -8.100 2.774 571 HG LEU 78 HG LEU 78 58.693 -7.401 -0.138 572 1HD1 LEU 78 1HD1 LEU 78 58.645 -10.071 1.264 573 2HD1 LEU 78 2HD1 LEU 78 58.114 -9.919 -0.411 574 3HD1 LEU 78 3HD1 LEU 78 59.768 -9.495 0.033 575 1HD2 LEU 78 1HD2 LEU 78 56.451 -7.088 1.155 576 2HD2 LEU 78 2HD2 LEU 78 56.412 -7.936 -0.391 577 3HD2 LEU 78 3HD2 LEU 78 56.365 -8.849 1.117 578 H VAL 79 H VAL 79 60.107 -6.454 4.211 579 HA VAL 79 HA VAL 79 58.147 -6.146 6.278 580 HB VAL 79 HB VAL 79 61.161 -5.784 6.270 581 1HG1 VAL 79 1HG1 VAL 79 59.150 -6.219 8.491 582 2HG1 VAL 79 2HG1 VAL 79 60.878 -6.506 8.694 583 3HG1 VAL 79 3HG1 VAL 79 60.292 -4.886 8.319 584 1HG2 VAL 79 1HG2 VAL 79 59.858 -8.008 5.503 585 2HG2 VAL 79 2HG2 VAL 79 61.357 -8.074 6.433 586 3HG2 VAL 79 3HG2 VAL 79 59.803 -8.254 7.249 587 H MET 80 H MET 80 60.145 -3.835 4.533 588 HA MET 80 HA MET 80 60.089 -1.616 6.282 589 1HB MET 80 1HB MET 80 60.956 -2.209 3.745 590 2HB MET 80 2HB MET 80 59.652 -1.070 3.413 591 1HG MET 80 1HG MET 80 61.421 -0.288 5.642 592 2HG MET 80 2HG MET 80 62.205 -0.331 4.063 593 1HE MET 80 1HE MET 80 61.142 0.262 2.096 594 2HE MET 80 2HE MET 80 59.912 1.490 1.813 595 3HE MET 80 3HE MET 80 61.576 1.976 2.121 596 H MET 81 H MET 81 57.608 -2.792 4.019 597 HA MET 81 HA MET 81 55.820 -0.523 4.521 598 1HB MET 81 1HB MET 81 55.924 -3.014 2.901 599 2HB MET 81 2HB MET 81 54.311 -2.428 3.309 600 1HG MET 81 1HG MET 81 56.438 -0.616 2.155 601 2HG MET 81 2HG MET 81 55.321 -1.523 1.137 602 1HE MET 81 1HE MET 81 55.945 1.181 1.079 603 2HE MET 81 2HE MET 81 54.348 1.731 0.549 604 3HE MET 81 3HE MET 81 55.068 2.389 2.017 605 H VAL 82 H VAL 82 55.841 -4.001 5.369 606 HA VAL 82 HA VAL 82 53.493 -4.290 6.795 607 HB VAL 82 HB VAL 82 56.247 -5.211 7.678 608 1HG1 VAL 82 1HG1 VAL 82 53.464 -5.888 8.412 609 2HG1 VAL 82 2HG1 VAL 82 54.506 -7.275 8.090 610 3HG1 VAL 82 3HG1 VAL 82 54.955 -6.104 9.330 611 1HG2 VAL 82 1HG2 VAL 82 54.660 -5.776 5.284 612 2HG2 VAL 82 2HG2 VAL 82 56.341 -6.181 5.633 613 3HG2 VAL 82 3HG2 VAL 82 55.044 -7.236 6.196 614 H ARG 83 H ARG 83 56.550 -2.986 8.140 615 HA ARG 83 HA ARG 83 55.592 -2.414 10.754 616 1HB ARG 83 1HB ARG 83 57.759 -1.388 8.938 617 2HB ARG 83 2HB ARG 83 57.498 -0.611 10.501 618 1HG ARG 83 1HG ARG 83 57.881 -2.669 11.682 619 2HG ARG 83 2HG ARG 83 57.862 -3.599 10.183 620 1HD ARG 83 1HD ARG 83 59.897 -2.357 9.423 621 2HD ARG 83 2HD ARG 83 59.946 -1.542 10.999 622 HE ARG 83 HE ARG 83 60.202 -4.502 10.638 623 1HH1 ARG 83 1HH2 ARG 83 62.121 -2.061 11.554 624 2HH1 ARG 83 2HH2 ARG 83 62.379 -2.567 13.190 625 1HH2 ARG 83 1HH1 ARG 83 59.875 -4.964 13.125 626 2HH2 ARG 83 2HH1 ARG 83 61.110 -4.212 14.078 627 H CYS 84 H CYS 84 55.806 -0.242 7.904 628 HA CYS 84 HA CYS 84 54.217 1.816 9.313 629 1HB CYS 84 1HB CYS 84 56.291 2.062 7.736 630 2HB CYS 84 2HB CYS 84 55.113 1.870 6.436 631 HG CYS 84 HG CYS 84 54.258 3.995 8.451 632 H MET 85 H MET 85 53.241 -0.958 8.088 633 HA MET 85 HA MET 85 51.088 0.092 6.321 634 1HB MET 85 1HB MET 85 52.121 -1.768 5.352 635 2HB MET 85 2HB MET 85 52.407 -2.543 6.909 636 1HG MET 85 1HG MET 85 50.128 -3.202 7.111 637 2HG MET 85 2HG MET 85 49.629 -2.148 5.790 638 1HE MET 85 1HE MET 85 50.970 -2.173 3.629 639 2HE MET 85 2HE MET 85 51.051 -3.650 2.658 640 3HE MET 85 3HE MET 85 49.495 -3.043 3.217 641 H LYS 86 H LYS 86 51.665 -1.222 9.513 642 HA LYS 86 HA LYS 86 48.704 -1.258 10.014 643 1HB LYS 86 1HB LYS 86 50.960 -3.051 10.653 644 2HB LYS 86 2HB LYS 86 49.877 -2.742 12.011 645 1HG LYS 86 1HG LYS 86 48.186 -3.141 9.803 646 2HG LYS 86 2HG LYS 86 49.432 -4.382 9.660 647 1HD LYS 86 1HD LYS 86 48.320 -3.937 12.381 648 2HD LYS 86 2HD LYS 86 47.242 -4.692 11.206 649 1HE LYS 86 1HE LYS 86 48.377 -6.653 11.318 650 2HE LYS 86 2HE LYS 86 49.935 -5.831 11.098 651 1HZ LYS 86 1HZ LYS 86 49.420 -4.977 13.494 652 2HZ LYS 86 2HZ LYS 86 48.455 -6.372 13.577 653 3HZ LYS 86 3HZ LYS 86 50.119 -6.505 13.268 654 H ASP 87 H ASP 87 50.611 1.053 10.223 655 HA ASP 87 HA ASP 87 50.035 1.733 13.070 656 1HB ASP 87 1HB ASP 87 52.329 0.820 12.920 657 2HB ASP 87 2HB ASP 87 52.715 1.995 11.663 658 H ASP 88 H ASP 88 48.498 2.744 11.073 659 HA ASP 88 HA ASP 88 49.346 5.593 10.971 660 1HB ASP 88 1HB ASP 88 48.777 5.585 8.513 661 2HB ASP 88 2HB ASP 88 50.194 4.614 8.915 662 H SER 89 H SER 89 47.599 6.554 11.954 663 HA SER 89 HA SER 89 44.861 5.502 11.356 664 1HB SER 89 1HB SER 89 45.974 7.256 13.568 665 2HB SER 89 2HB SER 89 44.294 6.740 13.450 666 HG SER 89 HG SER 89 45.594 5.383 14.803 667 1H ARG 1 1H ARG 1 56.600 12.115 4.855 668 2H ARG 1 2H ARG 1 56.241 12.517 6.465 669 3H ARG 1 3H ARG 1 57.853 12.490 5.939 670 HA ARG 1 HA ARG 1 58.056 10.288 6.248 671 1HB ARG 1 1HB ARG 1 56.512 11.462 8.117 672 2HB ARG 1 2HB ARG 1 55.368 10.252 7.539 673 1HG ARG 1 1HG ARG 1 57.798 8.876 7.777 674 2HG ARG 1 2HG ARG 1 57.716 9.898 9.212 675 1HD ARG 1 1HD ARG 1 55.213 9.019 9.310 676 2HD ARG 1 2HD ARG 1 55.889 7.673 8.371 677 HE ARG 1 HE ARG 1 57.501 8.456 10.698 678 1HH1 ARG 1 1HH2 ARG 1 54.997 7.626 11.957 679 2HH1 ARG 1 2HH2 ARG 1 55.146 5.903 12.056 680 1HH2 ARG 1 1HH1 ARG 1 57.708 5.725 9.727 681 2HH2 ARG 1 2HH1 ARG 1 56.680 4.827 10.794 682 H ILE 2 H ILE 2 57.886 8.924 4.490 683 HA ILE 2 HA ILE 2 55.869 8.667 2.608 684 HB ILE 2 HB ILE 2 58.076 7.536 2.597 685 1HG1 ILE 2 1HG1 ILE 2 55.662 5.714 2.350 686 2HG1 ILE 2 2HG1 ILE 2 56.388 6.686 1.069 687 1HG2 ILE 2 1HG2 ILE 2 57.545 6.797 5.125 688 2HG2 ILE 2 2HG2 ILE 2 57.021 5.329 4.300 689 3HG2 ILE 2 3HG2 ILE 2 58.677 5.906 4.108 690 1HD1 ILE 2 1HD1 ILE 2 57.787 4.439 2.551 691 2HD1 ILE 2 2HD1 ILE 2 57.092 4.308 0.935 692 3HD1 ILE 2 3HD1 ILE 2 58.460 5.384 1.221 693 H SER 3 H SER 3 53.754 8.848 3.536 694 HA SER 3 HA SER 3 52.879 6.966 5.618 695 1HB SER 3 1HB SER 3 52.050 9.246 5.579 696 2HB SER 3 2HB SER 3 51.516 9.070 3.910 697 HG SER 3 HG SER 3 50.033 8.699 5.923 698 H ALA 4 H ALA 4 53.608 6.353 2.549 699 HA ALA 4 HA ALA 4 52.972 4.581 1.106 700 1HB ALA 4 1HB ALA 4 52.029 3.957 3.677 701 2HB ALA 4 2HB ALA 4 50.644 3.704 2.615 702 3HB ALA 4 3HB ALA 4 52.155 2.848 2.311 703 H ASP 5 H ASP 5 50.026 6.001 2.600 704 HA ASP 5 HA ASP 5 48.268 5.762 0.434 705 1HB ASP 5 1HB ASP 5 48.599 7.401 2.847 706 2HB ASP 5 2HB ASP 5 47.665 8.208 1.587 707 H ALA 6 H ALA 6 50.435 8.543 1.126 708 HA ALA 6 HA ALA 6 49.768 9.899 -1.359 709 1HB ALA 6 1HB ALA 6 50.660 10.756 0.949 710 2HB ALA 6 2HB ALA 6 52.247 10.353 0.291 711 3HB ALA 6 3HB ALA 6 51.229 11.541 -0.524 712 H MET 7 H MET 7 52.228 7.589 -0.360 713 HA MET 7 HA MET 7 54.273 7.890 -2.201 714 1HB MET 7 1HB MET 7 53.428 5.999 -0.418 715 2HB MET 7 2HB MET 7 53.199 5.143 -1.943 716 1HG MET 7 1HG MET 7 55.664 6.346 -2.289 717 2HG MET 7 2HG MET 7 55.688 5.895 -0.584 718 1HE MET 7 1HE MET 7 55.584 5.117 -4.107 719 2HE MET 7 2HE MET 7 57.173 4.501 -3.664 720 3HE MET 7 3HE MET 7 55.940 3.402 -4.295 721 H MET 8 H MET 8 51.029 6.574 -2.830 722 HA MET 8 HA MET 8 51.686 5.912 -5.622 723 1HB MET 8 1HB MET 8 49.050 5.974 -4.118 724 2HB MET 8 2HB MET 8 49.366 5.131 -5.636 725 1HG MET 8 1HG MET 8 50.871 4.561 -3.070 726 2HG MET 8 2HG MET 8 49.449 3.654 -3.584 727 1HE MET 8 1HE MET 8 52.849 3.360 -3.147 728 2HE MET 8 2HE MET 8 53.694 2.992 -4.649 729 3HE MET 8 3HE MET 8 53.147 4.636 -4.335 730 H GLN 9 H GLN 9 50.911 8.765 -3.999 731 HA GLN 9 HA GLN 9 49.074 9.975 -5.881 732 1HB GLN 9 1HB GLN 9 49.251 10.787 -3.626 733 2HB GLN 9 2HB GLN 9 50.994 11.012 -3.781 734 1HG GLN 9 1HG GLN 9 50.751 13.032 -4.768 735 2HG GLN 9 2HG GLN 9 49.478 12.445 -5.837 736 1HE2 GLN 9 2HE2 GLN 9 49.090 14.966 -4.748 737 2HE2 GLN 9 1HE2 GLN 9 47.897 14.912 -3.540 738 H ALA 10 H ALA 10 52.587 10.521 -5.341 739 HA ALA 10 HA ALA 10 52.824 12.013 -7.854 740 1HB ALA 10 1HB ALA 10 54.758 11.021 -5.742 741 2HB ALA 10 2HB ALA 10 55.253 12.002 -7.122 742 3HB ALA 10 3HB ALA 10 54.130 12.658 -5.931 743 H LEU 11 H LEU 11 54.249 8.956 -6.621 744 HA LEU 11 HA LEU 11 54.675 8.143 -9.476 745 1HB LEU 11 1HB LEU 11 56.360 6.549 -8.224 746 2HB LEU 11 2HB LEU 11 56.788 8.240 -8.475 747 HG LEU 11 HG LEU 11 55.307 7.470 -5.981 748 1HD1 LEU 11 1HD1 LEU 11 57.365 5.940 -6.413 749 2HD1 LEU 11 2HD1 LEU 11 58.317 7.394 -6.118 750 3HD1 LEU 11 3HD1 LEU 11 57.256 6.764 -4.859 751 1HD2 LEU 11 1HD2 LEU 11 56.335 9.826 -7.041 752 2HD2 LEU 11 2HD2 LEU 11 55.879 9.571 -5.356 753 3HD2 LEU 11 3HD2 LEU 11 57.554 9.344 -5.860 754 H LEU 12 H LEU 12 54.276 5.876 -9.984 755 HA LEU 12 HA LEU 12 53.041 3.864 -9.861 756 1HB LEU 12 1HB LEU 12 52.894 4.453 -6.895 757 2HB LEU 12 2HB LEU 12 52.914 2.878 -7.687 758 HG LEU 12 HG LEU 12 55.248 4.306 -8.514 759 1HD1 LEU 12 1HD1 LEU 12 54.668 4.340 -5.545 760 2HD1 LEU 12 2HD1 LEU 12 56.309 4.413 -6.186 761 3HD1 LEU 12 3HD1 LEU 12 55.155 5.690 -6.568 762 1HD2 LEU 12 1HD2 LEU 12 54.690 1.885 -6.787 763 2HD2 LEU 12 2HD2 LEU 12 55.193 1.917 -8.477 764 3HD2 LEU 12 3HD2 LEU 12 56.329 2.383 -7.211 765 H GLY 13 H GLY 13 50.854 3.502 -10.217 766 1HA GLY 13 1HA GLY 13 48.697 4.443 -8.680 767 2HA GLY 13 2HA GLY 13 48.994 5.677 -9.906 768 H ALA 14 H ALA 14 49.465 2.195 -10.343 769 HA ALA 14 HA ALA 14 48.010 2.163 -12.829 770 1HB ALA 14 1HB ALA 14 49.489 0.359 -11.051 771 2HB ALA 14 2HB ALA 14 48.157 -0.446 -11.880 772 3HB ALA 14 3HB ALA 14 49.410 0.372 -12.813 773 H ARG 15 H ARG 15 45.952 1.087 -13.240 774 HA ARG 15 HA ARG 15 43.817 1.747 -11.527 775 1HB ARG 15 1HB ARG 15 44.271 0.447 -13.998 776 2HB ARG 15 2HB ARG 15 43.278 -0.655 -13.043 777 1HG ARG 15 1HG ARG 15 41.871 1.467 -12.486 778 2HG ARG 15 2HG ARG 15 42.668 2.168 -13.894 779 1HD ARG 15 1HD ARG 15 41.927 -0.187 -14.977 780 2HD ARG 15 2HD ARG 15 40.639 -0.009 -13.769 781 HE ARG 15 HE ARG 15 39.788 1.726 -15.114 782 1HH1 ARG 15 1HH2 ARG 15 42.046 0.777 -17.118 783 2HH1 ARG 15 2HH2 ARG 15 42.683 2.324 -17.564 784 1HH2 ARG 15 1HH1 ARG 15 41.104 4.015 -14.983 785 2HH2 ARG 15 2HH1 ARG 15 42.150 4.156 -16.355 786 H ALA 16 H ALA 16 43.412 0.979 -9.500 787 HA ALA 16 HA ALA 16 43.157 -1.823 -8.903 788 1HB ALA 16 1HB ALA 16 45.697 -0.385 -8.080 789 2HB ALA 16 2HB ALA 16 45.189 -1.931 -7.400 790 3HB ALA 16 3HB ALA 16 45.572 -1.806 -9.117 791 H LYS 17 H LYS 17 41.617 -1.764 -7.315 792 HA LYS 17 HA LYS 17 40.484 -1.106 -5.343 793 1HB LYS 17 1HB LYS 17 43.231 -0.810 -4.938 794 2HB LYS 17 2HB LYS 17 42.558 0.737 -4.423 795 1HG LYS 17 1HG LYS 17 41.205 -1.783 -3.531 796 2HG LYS 17 2HG LYS 17 42.696 -1.291 -2.727 797 1HD LYS 17 1HD LYS 17 40.953 0.990 -3.062 798 2HD LYS 17 2HD LYS 17 40.097 -0.312 -2.233 799 1HE LYS 17 1HE LYS 17 41.236 1.024 -0.545 800 2HE LYS 17 2HE LYS 17 42.112 -0.513 -0.689 801 1HZ LYS 17 1HZ LYS 17 43.433 0.683 -2.497 802 2HZ LYS 17 2HZ LYS 17 42.812 2.118 -1.844 803 3HZ LYS 17 3HZ LYS 17 43.772 1.095 -0.884 Start of MODEL 10 1 1H MET 1 1H MET 1 61.094 -8.908 19.729 2 2H MET 1 2H MET 1 60.473 -9.255 21.271 3 3H MET 1 3H MET 1 60.332 -10.397 20.025 4 HA MET 1 HA MET 1 58.226 -9.514 19.970 5 1HB MET 1 1HB MET 1 59.492 -7.708 21.647 6 2HB MET 1 2HB MET 1 58.970 -6.691 20.303 7 1HG MET 1 1HG MET 1 56.805 -6.841 20.917 8 2HG MET 1 2HG MET 1 56.904 -8.594 21.074 9 1HE MET 1 1HE MET 1 56.253 -9.555 22.667 10 2HE MET 1 2HE MET 1 56.632 -9.410 24.382 11 3HE MET 1 3HE MET 1 55.279 -8.506 23.708 12 H ASP 2 H ASP 2 59.490 -10.100 17.714 13 HA ASP 2 HA ASP 2 58.616 -8.041 15.824 14 1HB ASP 2 1HB ASP 2 61.280 -8.059 16.865 15 2HB ASP 2 2HB ASP 2 61.358 -8.539 15.169 16 H ASP 3 H ASP 3 57.555 -10.473 15.813 17 HA ASP 3 HA ASP 3 58.948 -11.913 13.582 18 1HB ASP 3 1HB ASP 3 58.218 -12.755 16.281 19 2HB ASP 3 2HB ASP 3 57.529 -13.815 15.053 20 H ILE 4 H ILE 4 56.371 -10.071 14.190 21 HA ILE 4 HA ILE 4 54.238 -11.804 13.114 22 HB ILE 4 HB ILE 4 54.361 -8.841 13.769 23 1HG1 ILE 4 1HG1 ILE 4 52.795 -10.357 15.608 24 2HG1 ILE 4 2HG1 ILE 4 54.349 -11.175 15.438 25 1HG2 ILE 4 1HG2 ILE 4 52.373 -10.441 12.463 26 2HG2 ILE 4 2HG2 ILE 4 51.762 -9.977 14.052 27 3HG2 ILE 4 3HG2 ILE 4 52.284 -8.738 12.911 28 1HD1 ILE 4 1HD1 ILE 4 54.675 -8.286 15.590 29 2HD1 ILE 4 2HD1 ILE 4 53.835 -8.919 17.006 30 3HD1 ILE 4 3HD1 ILE 4 55.425 -9.546 16.570 31 H TYR 5 H TYR 5 56.180 -9.007 12.038 32 HA TYR 5 HA TYR 5 54.872 -8.718 9.480 33 1HB TYR 5 1HB TYR 5 57.695 -7.976 10.305 34 2HB TYR 5 2HB TYR 5 56.718 -7.209 9.052 35 HD1 TYR 5 HD1 TYR 5 54.583 -6.011 9.714 36 HD2 TYR 5 HD2 TYR 5 57.487 -7.338 12.587 37 HE1 TYR 5 HE1 TYR 5 53.604 -4.486 11.407 38 HE2 TYR 5 HE2 TYR 5 56.508 -5.813 14.280 39 HH TYR 5 HH TYR 5 55.083 -3.503 14.066 40 H LYS 6 H LYS 6 58.053 -10.144 10.353 41 HA LYS 6 HA LYS 6 58.925 -11.093 7.913 42 1HB LYS 6 1HB LYS 6 59.888 -12.990 9.275 43 2HB LYS 6 2HB LYS 6 60.156 -11.394 9.976 44 1HG LYS 6 1HG LYS 6 59.346 -12.472 11.842 45 2HG LYS 6 2HG LYS 6 57.817 -11.938 11.146 46 1HD LYS 6 1HD LYS 6 57.251 -14.139 11.297 47 2HD LYS 6 2HD LYS 6 58.194 -14.290 9.813 48 1HE LYS 6 1HE LYS 6 59.901 -15.390 10.867 49 2HE LYS 6 2HE LYS 6 59.780 -14.377 12.319 50 1HZ LYS 6 1HZ LYS 6 57.467 -16.031 11.769 51 2HZ LYS 6 2HZ LYS 6 58.870 -16.893 12.186 52 3HZ LYS 6 3HZ LYS 6 58.246 -15.716 13.241 53 H ALA 7 H ALA 7 56.240 -12.331 9.825 54 HA ALA 7 HA ALA 7 55.876 -14.738 8.195 55 1HB ALA 7 1HB ALA 7 55.065 -13.726 10.691 56 2HB ALA 7 2HB ALA 7 53.582 -13.849 9.744 57 3HB ALA 7 3HB ALA 7 54.596 -15.272 9.984 58 H ALA 8 H ALA 8 54.197 -11.598 8.558 59 HA ALA 8 HA ALA 8 52.129 -11.995 6.665 60 1HB ALA 8 1HB ALA 8 53.532 -9.794 8.021 61 2HB ALA 8 2HB ALA 8 52.847 -9.327 6.463 62 3HB ALA 8 3HB ALA 8 51.807 -10.001 7.719 63 H VAL 9 H VAL 9 55.505 -10.987 6.212 64 HA VAL 9 HA VAL 9 55.431 -10.208 3.493 65 HB VAL 9 HB VAL 9 57.541 -11.687 5.101 66 1HG1 VAL 9 1HG1 VAL 9 57.749 -10.058 2.549 67 2HG1 VAL 9 2HG1 VAL 9 59.128 -10.625 3.492 68 3HG1 VAL 9 3HG1 VAL 9 58.053 -11.788 2.716 69 1HG2 VAL 9 1HG2 VAL 9 56.622 -9.475 5.989 70 2HG2 VAL 9 2HG2 VAL 9 58.362 -9.523 5.708 71 3HG2 VAL 9 3HG2 VAL 9 57.303 -8.721 4.547 72 H GLU 10 H GLU 10 56.760 -13.339 4.557 73 HA GLU 10 HA GLU 10 56.706 -14.725 2.160 74 1HB GLU 10 1HB GLU 10 56.275 -15.464 5.042 75 2HB GLU 10 2HB GLU 10 56.157 -16.716 3.805 76 1HG GLU 10 1HG GLU 10 58.403 -16.231 3.020 77 2HG GLU 10 2HG GLU 10 58.525 -14.850 4.110 78 H GLN 11 H GLN 11 53.959 -13.884 4.188 79 HA GLN 11 HA GLN 11 52.091 -15.682 2.816 80 1HB GLN 11 1HB GLN 11 52.175 -13.802 5.076 81 2HB GLN 11 2HB GLN 11 50.639 -13.783 4.209 82 1HG GLN 11 1HG GLN 11 50.108 -15.920 4.827 83 2HG GLN 11 2HG GLN 11 51.782 -16.466 4.754 84 1HE2 GLN 11 2HE2 GLN 11 49.647 -14.360 6.759 85 2HE2 GLN 11 1HE2 GLN 11 50.437 -14.703 8.222 86 H LEU 12 H LEU 12 53.331 -12.477 2.319 87 HA LEU 12 HA LEU 12 51.250 -11.117 1.033 88 1HB LEU 12 1HB LEU 12 54.233 -11.298 0.630 89 2HB LEU 12 2HB LEU 12 53.260 -10.226 -0.379 90 HG LEU 12 HG LEU 12 53.150 -10.190 2.646 91 1HD1 LEU 12 1HD1 LEU 12 55.421 -9.596 1.465 92 2HD1 LEU 12 2HD1 LEU 12 54.574 -8.122 0.993 93 3HD1 LEU 12 3HD1 LEU 12 54.778 -8.514 2.702 94 1HD2 LEU 12 1HD2 LEU 12 52.066 -8.492 0.404 95 2HD2 LEU 12 2HD2 LEU 12 51.213 -9.155 1.799 96 3HD2 LEU 12 3HD2 LEU 12 52.323 -7.799 2.005 97 H THR 13 H THR 13 50.022 -11.651 -0.723 98 HA THR 13 HA THR 13 50.889 -13.870 -2.488 99 HB THR 13 HB THR 13 48.437 -13.180 -3.350 100 HG1 THR 13 HG1 THR 13 47.626 -11.701 -2.129 101 1HG2 THR 13 1HG2 THR 13 49.016 -14.590 -0.731 102 2HG2 THR 13 2HG2 THR 13 47.533 -14.747 -1.672 103 3HG2 THR 13 3HG2 THR 13 49.061 -15.331 -2.330 104 H GLU 14 H GLU 14 50.986 -13.602 -4.802 105 HA GLU 14 HA GLU 14 52.333 -11.440 -5.880 106 1HB GLU 14 1HB GLU 14 50.520 -13.574 -6.855 107 2HB GLU 14 2HB GLU 14 50.760 -12.228 -7.970 108 1HG GLU 14 1HG GLU 14 53.237 -12.494 -7.665 109 2HG GLU 14 2HG GLU 14 52.919 -13.941 -6.707 110 H GLU 15 H GLU 15 48.824 -11.738 -5.401 111 HA GLU 15 HA GLU 15 47.787 -9.608 -6.844 112 1HB GLU 15 1HB GLU 15 47.230 -11.006 -4.306 113 2HB GLU 15 2HB GLU 15 46.512 -9.399 -4.413 114 1HG GLU 15 1HG GLU 15 46.116 -10.651 -6.933 115 2HG GLU 15 2HG GLU 15 45.658 -11.822 -5.696 116 H GLN 16 H GLN 16 49.074 -9.339 -3.508 117 HA GLN 16 HA GLN 16 49.137 -6.407 -3.657 118 1HB GLN 16 1HB GLN 16 50.533 -8.076 -1.576 119 2HB GLN 16 2HB GLN 16 49.643 -6.568 -1.371 120 1HG GLN 16 1HG GLN 16 47.709 -8.289 -2.344 121 2HG GLN 16 2HG GLN 16 48.672 -9.333 -1.300 122 1HE2 GLN 16 2HE2 GLN 16 49.462 -7.076 0.500 123 2HE2 GLN 16 1HE2 GLN 16 48.078 -6.706 1.411 124 H LYS 17 H LYS 17 51.594 -8.971 -3.248 125 HA LYS 17 HA LYS 17 53.964 -7.563 -3.364 126 1HB LYS 17 1HB LYS 17 52.960 -10.198 -4.095 127 2HB LYS 17 2HB LYS 17 54.312 -9.723 -5.124 128 1HG LYS 17 1HG LYS 17 55.807 -9.863 -3.423 129 2HG LYS 17 2HG LYS 17 54.710 -9.087 -2.280 130 1HD LYS 17 1HD LYS 17 54.568 -11.160 -1.353 131 2HD LYS 17 2HD LYS 17 53.451 -11.483 -2.680 132 1HE LYS 17 1HE LYS 17 56.445 -11.912 -2.928 133 2HE LYS 17 2HE LYS 17 55.320 -13.195 -2.441 134 1HZ LYS 17 1HZ LYS 17 53.973 -12.421 -4.466 135 2HZ LYS 17 2HZ LYS 17 55.422 -11.700 -4.985 136 3HZ LYS 17 3HZ LYS 17 55.351 -13.376 -4.742 137 H ASN 18 H ASN 18 51.645 -7.983 -5.969 138 HA ASN 18 HA ASN 18 53.327 -7.234 -8.172 139 1HB ASN 18 1HB ASN 18 50.413 -7.415 -7.530 140 2HB ASN 18 2HB ASN 18 50.873 -6.514 -8.976 141 1HD2 ASN 18 2HD2 ASN 18 49.751 -9.442 -8.304 142 2HD2 ASN 18 1HD2 ASN 18 50.654 -10.408 -9.368 143 H GLU 19 H GLU 19 51.336 -5.326 -5.909 144 HA GLU 19 HA GLU 19 51.877 -2.813 -7.314 145 1HB GLU 19 1HB GLU 19 50.383 -1.916 -5.740 146 2HB GLU 19 2HB GLU 19 49.846 -3.591 -5.848 147 1HG GLU 19 1HG GLU 19 51.361 -4.090 -3.870 148 2HG GLU 19 2HG GLU 19 51.580 -2.348 -3.700 149 H PHE 20 H PHE 20 53.121 -4.487 -4.432 150 HA PHE 20 HA PHE 20 54.799 -2.304 -3.533 151 1HB PHE 20 1HB PHE 20 54.837 -5.307 -3.090 152 2HB PHE 20 2HB PHE 20 55.827 -4.167 -2.183 153 HD1 PHE 20 HD1 PHE 20 53.854 -1.888 -1.988 154 HD2 PHE 20 HD2 PHE 20 53.381 -6.115 -1.383 155 HE1 PHE 20 HE1 PHE 20 51.954 -1.458 -0.455 156 HE2 PHE 20 HE2 PHE 20 51.481 -5.684 0.150 157 HZ PHE 20 HZ PHE 20 50.767 -3.354 0.614 158 H LYS 21 H LYS 21 55.447 -5.282 -5.411 159 HA LYS 21 HA LYS 21 58.198 -5.093 -5.804 160 1HB LYS 21 1HB LYS 21 57.790 -6.431 -7.750 161 2HB LYS 21 2HB LYS 21 56.478 -6.803 -6.631 162 1HG LYS 21 1HG LYS 21 55.247 -6.410 -8.549 163 2HG LYS 21 2HG LYS 21 55.305 -4.772 -7.896 164 1HD LYS 21 1HD LYS 21 56.085 -4.284 -9.995 165 2HD LYS 21 2HD LYS 21 57.622 -4.778 -9.282 166 1HE LYS 21 1HE LYS 21 57.363 -7.040 -10.163 167 2HE LYS 21 2HE LYS 21 55.745 -6.643 -10.779 168 1HZ LYS 21 1HZ LYS 21 57.130 -4.632 -11.791 169 2HZ LYS 21 2HZ LYS 21 58.359 -5.804 -11.764 170 3HZ LYS 21 3HZ LYS 21 56.925 -6.102 -12.620 171 H ALA 22 H ALA 22 55.664 -3.083 -7.179 172 HA ALA 22 HA ALA 22 57.233 -1.859 -9.270 173 1HB ALA 22 1HB ALA 22 54.641 -1.966 -8.671 174 2HB ALA 22 2HB ALA 22 55.006 -0.457 -7.834 175 3HB ALA 22 3HB ALA 22 55.299 -0.596 -9.567 176 H ALA 23 H ALA 23 56.087 -0.396 -6.200 177 HA ALA 23 HA ALA 23 57.702 1.882 -6.165 178 1HB ALA 23 1HB ALA 23 55.888 0.766 -4.534 179 2HB ALA 23 2HB ALA 23 57.342 0.325 -3.637 180 3HB ALA 23 3HB ALA 23 56.988 2.022 -3.965 181 H PHE 24 H PHE 24 58.595 -1.453 -5.462 182 HA PHE 24 HA PHE 24 61.168 -0.871 -4.258 183 1HB PHE 24 1HB PHE 24 59.947 -2.961 -3.906 184 2HB PHE 24 2HB PHE 24 59.992 -3.310 -5.635 185 HD1 PHE 24 HD1 PHE 24 62.551 -2.113 -3.160 186 HD2 PHE 24 HD2 PHE 24 61.464 -5.055 -6.095 187 HE1 PHE 24 HE1 PHE 24 64.759 -3.206 -2.882 188 HE2 PHE 24 HE2 PHE 24 63.673 -6.149 -5.816 189 HZ PHE 24 HZ PHE 24 65.320 -5.224 -4.209 190 H ASP 25 H ASP 25 60.148 -1.878 -7.539 191 HA ASP 25 HA ASP 25 62.688 -2.009 -8.772 192 1HB ASP 25 1HB ASP 25 60.344 -2.617 -9.624 193 2HB ASP 25 2HB ASP 25 60.160 -0.908 -10.023 194 H ILE 26 H ILE 26 60.642 0.786 -8.039 195 HA ILE 26 HA ILE 26 62.298 2.679 -9.532 196 HB ILE 26 HB ILE 26 60.043 2.865 -7.519 197 1HG1 ILE 26 1HG1 ILE 26 59.099 3.945 -9.786 198 2HG1 ILE 26 2HG1 ILE 26 60.327 2.892 -10.491 199 1HG2 ILE 26 1HG2 ILE 26 61.931 4.895 -8.302 200 2HG2 ILE 26 2HG2 ILE 26 60.335 5.304 -8.931 201 3HG2 ILE 26 3HG2 ILE 26 60.559 5.031 -7.203 202 1HD1 ILE 26 1HD1 ILE 26 58.324 1.897 -8.457 203 2HD1 ILE 26 2HD1 ILE 26 58.004 1.861 -10.192 204 3HD1 ILE 26 3HD1 ILE 26 59.353 0.942 -9.524 205 H PHE 27 H PHE 27 61.825 1.856 -6.084 206 HA PHE 27 HA PHE 27 63.552 3.801 -4.955 207 1HB PHE 27 1HB PHE 27 62.361 1.185 -4.244 208 2HB PHE 27 2HB PHE 27 63.784 1.637 -3.306 209 HD1 PHE 27 HD1 PHE 27 60.882 3.532 -4.761 210 HD2 PHE 27 HD2 PHE 27 63.212 2.608 -1.272 211 HE1 PHE 27 HE1 PHE 27 59.506 5.105 -3.424 212 HE2 PHE 27 HE2 PHE 27 61.835 4.179 0.064 213 HZ PHE 27 HZ PHE 27 59.983 5.428 -1.012 214 H VAL 28 H VAL 28 64.311 1.009 -6.857 215 HA VAL 28 HA VAL 28 67.207 1.293 -6.113 216 HB VAL 28 HB VAL 28 67.361 -1.105 -6.490 217 1HG1 VAL 28 1HG1 VAL 28 65.243 -0.039 -4.685 218 2HG1 VAL 28 2HG1 VAL 28 65.298 -1.787 -4.911 219 3HG1 VAL 28 3HG1 VAL 28 66.711 -0.932 -4.291 220 1HG2 VAL 28 1HG2 VAL 28 64.512 -0.781 -7.453 221 2HG2 VAL 28 2HG2 VAL 28 65.890 -1.421 -8.349 222 3HG2 VAL 28 3HG2 VAL 28 65.192 -2.351 -7.022 223 H LEU 29 H LEU 29 65.317 2.405 -8.364 224 HA LEU 29 HA LEU 29 65.991 1.261 -10.862 225 1HB LEU 29 1HB LEU 29 64.469 3.310 -9.959 226 2HB LEU 29 2HB LEU 29 65.821 4.222 -10.630 227 HG LEU 29 HG LEU 29 64.661 1.998 -12.262 228 1HD1 LEU 29 1HD1 LEU 29 63.352 4.637 -11.653 229 2HD1 LEU 29 2HD1 LEU 29 63.149 3.897 -13.240 230 3HD1 LEU 29 3HD1 LEU 29 62.616 3.041 -11.794 231 1HD2 LEU 29 1HD2 LEU 29 66.346 4.389 -12.593 232 2HD2 LEU 29 2HD2 LEU 29 66.288 2.914 -13.557 233 3HD2 LEU 29 3HD2 LEU 29 65.121 4.204 -13.849 234 H GLY 30 H GLY 30 68.011 2.933 -8.626 235 1HA GLY 30 1HA GLY 30 70.065 3.320 -10.768 236 2HA GLY 30 2HA GLY 30 69.973 4.329 -9.324 237 H ALA 31 H ALA 31 69.231 1.194 -8.442 238 HA ALA 31 HA ALA 31 71.925 0.837 -7.253 239 1HB ALA 31 1HB ALA 31 69.136 0.035 -6.751 240 2HB ALA 31 2HB ALA 31 70.310 -1.240 -6.423 241 3HB ALA 31 3HB ALA 31 70.443 0.315 -5.602 242 H GLU 32 H GLU 32 73.365 -0.670 -8.023 243 HA GLU 32 HA GLU 32 72.628 -2.259 -10.402 244 1HB GLU 32 1HB GLU 32 74.857 -0.897 -9.542 245 2HB GLU 32 2HB GLU 32 75.288 -2.563 -9.159 246 1HG GLU 32 1HG GLU 32 74.030 -2.290 -11.791 247 2HG GLU 32 2HG GLU 32 75.534 -1.380 -11.650 248 H ASP 33 H ASP 33 72.974 -2.705 -6.980 249 HA ASP 33 HA ASP 33 73.377 -5.628 -7.181 250 1HB ASP 33 1HB ASP 33 73.690 -3.488 -5.253 251 2HB ASP 33 2HB ASP 33 72.770 -4.816 -4.544 252 H GLY 34 H GLY 34 70.764 -3.370 -6.974 253 1HA GLY 34 1HA GLY 34 68.461 -3.985 -7.298 254 2HA GLY 34 2HA GLY 34 68.854 -5.626 -6.783 255 H CYS 35 H CYS 35 70.008 -2.902 -4.932 256 HA CYS 35 HA CYS 35 67.934 -3.490 -2.843 257 1HB CYS 35 1HB CYS 35 70.917 -2.992 -2.585 258 2HB CYS 35 2HB CYS 35 69.814 -3.151 -1.218 259 HG CYS 35 HG CYS 35 70.918 -5.509 -1.837 260 H ILE 36 H ILE 36 68.157 -1.590 -1.089 261 HA ILE 36 HA ILE 36 68.167 0.989 -2.624 262 HB ILE 36 HB ILE 36 66.659 0.182 -0.113 263 1HG1 ILE 36 1HG1 ILE 36 65.586 0.510 -2.930 264 2HG1 ILE 36 2HG1 ILE 36 66.033 -1.054 -2.246 265 1HG2 ILE 36 1HG2 ILE 36 67.010 2.692 -1.611 266 2HG2 ILE 36 2HG2 ILE 36 65.325 2.272 -1.305 267 3HG2 ILE 36 3HG2 ILE 36 66.452 2.438 0.042 268 1HD1 ILE 36 1HD1 ILE 36 64.402 0.314 -0.337 269 2HD1 ILE 36 2HD1 ILE 36 63.588 0.377 -1.900 270 3HD1 ILE 36 3HD1 ILE 36 64.044 -1.178 -1.206 271 H SER 37 H SER 37 68.903 2.887 -1.395 272 HA SER 37 HA SER 37 70.380 2.455 1.127 273 1HB SER 37 1HB SER 37 71.583 2.073 -1.376 274 2HB SER 37 2HB SER 37 72.108 3.670 -0.857 275 HG SER 37 HG SER 37 73.508 2.461 0.207 276 H THR 38 H THR 38 68.181 4.123 0.223 277 HA THR 38 HA THR 38 67.434 6.331 0.640 278 HB THR 38 HB THR 38 68.747 7.654 2.031 279 HG1 THR 38 HG1 THR 38 71.217 7.146 1.763 280 1HG2 THR 38 1HG2 THR 38 68.891 4.940 2.508 281 2HG2 THR 38 2HG2 THR 38 70.578 5.441 2.610 282 3HG2 THR 38 3HG2 THR 38 69.368 6.201 3.644 283 H LYS 39 H LYS 39 70.706 6.359 -0.863 284 HA LYS 39 HA LYS 39 70.484 8.617 -2.481 285 1HB LYS 39 1HB LYS 39 72.177 6.456 -2.194 286 2HB LYS 39 2HB LYS 39 71.564 6.225 -3.831 287 1HG LYS 39 1HG LYS 39 72.747 7.978 -4.624 288 2HG LYS 39 2HG LYS 39 72.234 9.016 -3.294 289 1HD LYS 39 1HD LYS 39 74.344 8.861 -2.508 290 2HD LYS 39 2HD LYS 39 73.975 7.184 -2.102 291 1HE LYS 39 1HE LYS 39 75.914 7.018 -3.467 292 2HE LYS 39 2HE LYS 39 74.585 6.693 -4.599 293 1HZ LYS 39 1HZ LYS 39 74.619 9.340 -4.659 294 2HZ LYS 39 2HZ LYS 39 76.265 9.061 -4.344 295 3HZ LYS 39 3HZ LYS 39 75.535 8.393 -5.726 296 H GLU 40 H GLU 40 69.210 5.347 -3.111 297 HA GLU 40 HA GLU 40 67.888 6.233 -5.608 298 1HB GLU 40 1HB GLU 40 67.647 3.594 -4.144 299 2HB GLU 40 2HB GLU 40 67.437 3.894 -5.868 300 1HG GLU 40 1HG GLU 40 70.050 4.237 -4.372 301 2HG GLU 40 2HG GLU 40 69.619 2.813 -5.321 302 H LEU 41 H LEU 41 67.158 5.650 -2.243 303 HA LEU 41 HA LEU 41 64.262 5.489 -2.598 304 1HB LEU 41 1HB LEU 41 64.799 4.371 -0.690 305 2HB LEU 41 2HB LEU 41 66.322 5.234 -0.517 306 HG LEU 41 HG LEU 41 65.173 7.136 0.497 307 1HD1 LEU 41 1HD1 LEU 41 62.919 6.016 -0.810 308 2HD1 LEU 41 2HD1 LEU 41 62.576 5.970 0.919 309 3HD1 LEU 41 3HD1 LEU 41 62.984 7.500 0.140 310 1HD2 LEU 41 1HD2 LEU 41 65.074 4.415 1.568 311 2HD2 LEU 41 2HD2 LEU 41 65.561 5.911 2.363 312 3HD2 LEU 41 3HD2 LEU 41 63.857 5.465 2.293 313 H GLY 42 H GLY 42 66.415 7.906 -1.026 314 1HA GLY 42 1HA GLY 42 64.527 9.873 -0.466 315 2HA GLY 42 2HA GLY 42 66.189 10.251 -0.924 316 H LYS 43 H LYS 43 65.698 8.881 -3.596 317 HA LYS 43 HA LYS 43 65.014 11.213 -5.109 318 1HB LYS 43 1HB LYS 43 65.901 8.516 -5.491 319 2HB LYS 43 2HB LYS 43 64.560 8.814 -6.599 320 1HG LYS 43 1HG LYS 43 65.657 10.708 -7.565 321 2HG LYS 43 2HG LYS 43 66.875 10.736 -6.291 322 1HD LYS 43 1HD LYS 43 68.163 9.476 -7.638 323 2HD LYS 43 2HD LYS 43 67.035 8.153 -7.340 324 1HE LYS 43 1HE LYS 43 66.154 8.296 -9.436 325 2HE LYS 43 2HE LYS 43 66.092 10.069 -9.375 326 1HZ LYS 43 1HZ LYS 43 68.656 8.606 -9.567 327 2HZ LYS 43 2HZ LYS 43 67.777 9.034 -10.956 328 3HZ LYS 43 3HZ LYS 43 68.349 10.239 -9.903 329 H VAL 44 H VAL 44 63.079 8.573 -3.816 330 HA VAL 44 HA VAL 44 60.705 9.301 -5.398 331 HB VAL 44 HB VAL 44 61.320 7.321 -3.188 332 1HG1 VAL 44 1HG1 VAL 44 58.775 8.335 -4.076 333 2HG1 VAL 44 2HG1 VAL 44 58.926 6.643 -4.548 334 3HG1 VAL 44 3HG1 VAL 44 59.106 7.106 -2.855 335 1HG2 VAL 44 1HG2 VAL 44 61.656 7.353 -6.036 336 2HG2 VAL 44 2HG2 VAL 44 62.021 6.046 -4.909 337 3HG2 VAL 44 3HG2 VAL 44 60.419 6.161 -5.636 338 H MET 45 H MET 45 61.990 9.845 -2.148 339 HA MET 45 HA MET 45 59.709 10.629 -0.723 340 1HB MET 45 1HB MET 45 62.467 11.905 -0.794 341 2HB MET 45 2HB MET 45 61.308 12.057 0.528 342 1HG MET 45 1HG MET 45 62.661 9.522 -0.433 343 2HG MET 45 2HG MET 45 62.861 10.312 1.131 344 1HE MET 45 1HE MET 45 61.266 8.096 -1.101 345 2HE MET 45 2HE MET 45 59.938 7.292 -0.269 346 3HE MET 45 3HE MET 45 59.660 8.820 -1.112 347 H ARG 46 H ARG 46 61.765 12.806 -2.723 348 HA ARG 46 HA ARG 46 60.244 15.148 -2.514 349 1HB ARG 46 1HB ARG 46 61.209 15.654 -4.761 350 2HB ARG 46 2HB ARG 46 62.404 14.954 -3.670 351 1HG ARG 46 1HG ARG 46 61.550 12.678 -4.732 352 2HG ARG 46 2HG ARG 46 61.079 13.737 -6.062 353 1HD ARG 46 1HD ARG 46 63.863 13.791 -4.857 354 2HD ARG 46 2HD ARG 46 63.435 12.777 -6.249 355 HE ARG 46 HE ARG 46 63.490 15.738 -6.224 356 1HH1 ARG 46 1HH2 ARG 46 64.356 13.255 -8.124 357 2HH1 ARG 46 2HH2 ARG 46 63.494 13.740 -9.546 358 1HH2 ARG 46 1HH1 ARG 46 61.641 16.176 -7.913 359 2HH2 ARG 46 2HH1 ARG 46 61.954 15.394 -9.426 360 H MET 47 H MET 47 59.710 12.334 -4.628 361 HA MET 47 HA MET 47 57.397 13.470 -5.984 362 1HB MET 47 1HB MET 47 58.361 10.611 -5.604 363 2HB MET 47 2HB MET 47 57.185 11.140 -6.808 364 1HG MET 47 1HG MET 47 58.785 12.281 -8.067 365 2HG MET 47 2HG MET 47 59.882 12.459 -6.699 366 1HE MET 47 1HE MET 47 57.739 9.728 -7.901 367 2HE MET 47 2HE MET 47 58.558 9.681 -9.461 368 3HE MET 47 3HE MET 47 58.773 8.359 -8.305 369 H LEU 48 H LEU 48 57.930 11.352 -3.191 370 HA LEU 48 HA LEU 48 55.231 10.578 -2.691 371 1HB LEU 48 1HB LEU 48 57.848 10.462 -1.496 372 2HB LEU 48 2HB LEU 48 56.679 10.916 -0.258 373 HG LEU 48 HG LEU 48 57.059 8.404 -0.622 374 1HD1 LEU 48 1HD1 LEU 48 54.973 9.738 0.353 375 2HD1 LEU 48 2HD1 LEU 48 54.178 9.060 -1.067 376 3HD1 LEU 48 3HD1 LEU 48 54.913 7.990 0.126 377 1HD2 LEU 48 1HD2 LEU 48 56.870 8.845 -3.212 378 2HD2 LEU 48 2HD2 LEU 48 56.204 7.360 -2.531 379 3HD2 LEU 48 3HD2 LEU 48 55.137 8.712 -2.911 380 H GLY 49 H GLY 49 56.909 13.589 -2.176 381 1HA GLY 49 1HA GLY 49 55.498 15.611 -1.882 382 2HA GLY 49 2HA GLY 49 54.472 14.653 -0.812 383 H GLN 50 H GLN 50 57.903 14.208 -0.602 384 HA GLN 50 HA GLN 50 58.164 16.113 1.661 385 1HB GLN 50 1HB GLN 50 57.478 13.365 1.931 386 2HB GLN 50 2HB GLN 50 59.149 13.532 2.469 387 1HG GLN 50 1HG GLN 50 58.449 15.432 3.930 388 2HG GLN 50 2HG GLN 50 56.775 15.140 3.453 389 1HE2 GLN 50 2HE2 GLN 50 55.665 13.366 4.429 390 2HE2 GLN 50 1HE2 GLN 50 56.370 12.366 5.606 391 H ASN 51 H ASN 51 60.561 14.827 2.651 392 HA ASN 51 HA ASN 51 62.483 14.184 0.655 393 1HB ASN 51 1HB ASN 51 61.553 16.816 0.491 394 2HB ASN 51 2HB ASN 51 63.106 16.959 1.315 395 1HD2 ASN 51 2HD2 ASN 51 64.350 17.753 -0.466 396 2HD2 ASN 51 1HD2 ASN 51 64.612 16.854 -1.883 397 HA PRO 52 HA PRO 52 63.800 14.021 5.078 398 1HB PRO 52 1HB PRO 52 64.605 11.407 5.005 399 2HB PRO 52 2HB PRO 52 62.931 11.894 5.341 400 1HG PRO 52 1HG PRO 52 64.134 10.869 2.821 401 2HG PRO 52 2HG PRO 52 62.539 10.555 3.522 402 1HD PRO 52 1HD PRO 52 62.978 12.296 1.459 403 2HD PRO 52 2HD PRO 52 61.620 12.430 2.598 404 H THR 53 H THR 53 65.833 14.827 5.420 405 HA THR 53 HA THR 53 67.898 15.005 3.513 406 HB THR 53 HB THR 53 69.133 14.965 6.014 407 HG1 THR 53 HG1 THR 53 67.677 15.445 7.473 408 1HG2 THR 53 1HG2 THR 53 68.936 16.737 4.103 409 2HG2 THR 53 2HG2 THR 53 67.581 17.352 5.050 410 3HG2 THR 53 3HG2 THR 53 69.195 17.290 5.758 411 HA PRO 54 HA PRO 54 70.064 11.189 3.562 412 1HB PRO 54 1HB PRO 54 72.672 11.844 4.087 413 2HB PRO 54 2HB PRO 54 71.874 12.206 2.543 414 1HG PRO 54 1HG PRO 54 72.407 13.996 4.863 415 2HG PRO 54 2HG PRO 54 72.510 14.336 3.128 416 1HD PRO 54 1HD PRO 54 70.414 15.114 4.678 417 2HD PRO 54 2HD PRO 54 70.265 14.759 2.943 418 H GLU 55 H GLU 55 70.943 13.221 6.360 419 HA GLU 55 HA GLU 55 71.881 11.086 8.044 420 1HB GLU 55 1HB GLU 55 70.687 13.823 8.588 421 2HB GLU 55 2HB GLU 55 71.469 12.833 9.820 422 1HG GLU 55 1HG GLU 55 73.529 13.408 9.097 423 2HG GLU 55 2HG GLU 55 73.108 13.061 7.420 424 H GLU 56 H GLU 56 68.674 12.440 7.399 425 HA GLU 56 HA GLU 56 67.424 10.797 9.521 426 1HB GLU 56 1HB GLU 56 66.768 13.151 9.038 427 2HB GLU 56 2HB GLU 56 66.270 12.659 7.418 428 1HG GLU 56 1HG GLU 56 65.119 10.985 9.534 429 2HG GLU 56 2HG GLU 56 64.636 12.678 9.649 430 H LEU 57 H LEU 57 67.990 10.698 6.077 431 HA LEU 57 HA LEU 57 65.882 9.047 5.175 432 1HB LEU 57 1HB LEU 57 68.436 10.014 4.321 433 2HB LEU 57 2HB LEU 57 68.346 8.295 3.936 434 HG LEU 57 HG LEU 57 66.279 10.385 3.186 435 1HD1 LEU 57 1HD1 LEU 57 68.736 9.674 1.970 436 2HD1 LEU 57 2HD1 LEU 57 67.467 8.933 0.996 437 3HD1 LEU 57 3HD1 LEU 57 67.453 10.672 1.287 438 1HD2 LEU 57 1HD2 LEU 57 65.622 7.885 3.704 439 2HD2 LEU 57 2HD2 LEU 57 65.003 8.665 2.247 440 3HD2 LEU 57 3HD2 LEU 57 66.380 7.568 2.144 441 H GLN 58 H GLN 58 69.176 7.849 5.949 442 HA GLN 58 HA GLN 58 68.806 5.138 5.949 443 1HB GLN 58 1HB GLN 58 70.612 7.005 7.003 444 2HB GLN 58 2HB GLN 58 70.190 5.970 8.369 445 1HG GLN 58 1HG GLN 58 71.989 4.832 7.358 446 2HG GLN 58 2HG GLN 58 70.567 4.003 6.725 447 1HE2 GLN 58 2HE2 GLN 58 71.656 3.391 4.723 448 2HE2 GLN 58 1HE2 GLN 58 72.035 4.543 3.534 449 H GLU 59 H GLU 59 67.513 7.370 8.364 450 HA GLU 59 HA GLU 59 66.855 5.662 10.481 451 1HB GLU 59 1HB GLU 59 66.494 8.130 10.317 452 2HB GLU 59 2HB GLU 59 65.135 7.830 9.233 453 1HG GLU 59 1HG GLU 59 65.160 6.388 11.847 454 2HG GLU 59 2HG GLU 59 64.778 8.111 11.866 455 H MET 60 H MET 60 65.164 6.074 7.376 456 HA MET 60 HA MET 60 62.945 4.329 8.056 457 1HB MET 60 1HB MET 60 64.070 5.737 5.672 458 2HB MET 60 2HB MET 60 62.940 4.415 5.371 459 1HG MET 60 1HG MET 60 61.186 5.673 6.014 460 2HG MET 60 2HG MET 60 61.988 6.115 7.521 461 1HE MET 60 1HE MET 60 60.024 7.506 5.948 462 2HE MET 60 2HE MET 60 60.507 9.173 5.608 463 3HE MET 60 3HE MET 60 60.529 7.967 4.324 464 H ILE 61 H ILE 61 66.044 3.890 6.358 465 HA ILE 61 HA ILE 61 65.546 1.176 5.505 466 HB ILE 61 HB ILE 61 67.923 2.997 5.859 467 1HG1 ILE 61 1HG1 ILE 61 67.953 2.187 3.300 468 2HG1 ILE 61 2HG1 ILE 61 66.245 1.910 3.644 469 1HG2 ILE 61 1HG2 ILE 61 67.954 0.068 5.733 470 2HG2 ILE 61 2HG2 ILE 61 68.877 0.820 4.433 471 3HG2 ILE 61 3HG2 ILE 61 69.261 1.188 6.114 472 1HD1 ILE 61 1HD1 ILE 61 67.404 4.496 4.562 473 2HD1 ILE 61 2HD1 ILE 61 67.166 4.296 2.826 474 3HD1 ILE 61 3HD1 ILE 61 65.796 4.146 3.925 475 H ASP 62 H ASP 62 66.756 2.620 8.482 476 HA ASP 62 HA ASP 62 67.815 0.129 9.577 477 1HB ASP 62 1HB ASP 62 67.190 2.900 10.611 478 2HB ASP 62 2HB ASP 62 67.804 1.633 11.674 479 H GLU 63 H GLU 63 64.710 1.753 9.542 480 HA GLU 63 HA GLU 63 63.503 0.563 11.839 481 1HB GLU 63 1HB GLU 63 62.738 1.962 9.363 482 2HB GLU 63 2HB GLU 63 61.488 0.880 9.981 483 1HG GLU 63 1HG GLU 63 62.186 2.034 12.296 484 2HG GLU 63 2HG GLU 63 62.637 3.345 11.205 485 H VAL 64 H VAL 64 64.158 -0.709 8.623 486 HA VAL 64 HA VAL 64 62.927 -3.307 9.481 487 HB VAL 64 HB VAL 64 62.342 -3.493 6.985 488 1HG1 VAL 64 1HG1 VAL 64 61.112 -1.802 9.072 489 2HG1 VAL 64 2HG1 VAL 64 60.555 -1.471 7.432 490 3HG1 VAL 64 3HG1 VAL 64 60.399 -3.094 8.105 491 1HG2 VAL 64 1HG2 VAL 64 63.933 -1.258 6.789 492 2HG2 VAL 64 2HG2 VAL 64 62.754 -1.754 5.576 493 3HG2 VAL 64 3HG2 VAL 64 62.317 -0.551 6.789 494 H ASP 65 H ASP 65 65.634 -2.850 9.885 495 HA ASP 65 HA ASP 65 66.923 -4.373 7.640 496 1HB ASP 65 1HB ASP 65 67.476 -1.829 8.647 497 2HB ASP 65 2HB ASP 65 68.696 -2.856 9.401 498 H GLU 66 H GLU 66 66.994 -6.469 8.426 499 HA GLU 66 HA GLU 66 67.420 -7.028 11.278 500 1HB GLU 66 1HB GLU 66 66.927 -8.553 8.737 501 2HB GLU 66 2HB GLU 66 67.491 -9.423 10.164 502 1HG GLU 66 1HG GLU 66 65.262 -9.531 10.649 503 2HG GLU 66 2HG GLU 66 65.532 -7.904 11.273 504 H ASP 67 H ASP 67 69.537 -5.901 9.129 505 HA ASP 67 HA ASP 67 71.779 -7.530 10.251 506 1HB ASP 67 1HB ASP 67 72.747 -7.390 7.873 507 2HB ASP 67 2HB ASP 67 71.377 -8.479 8.096 508 H GLY 68 H GLY 68 70.454 -4.570 10.081 509 1HA GLY 68 1HA GLY 68 71.282 -2.361 10.077 510 2HA GLY 68 2HA GLY 68 72.583 -3.079 11.029 511 H SER 69 H SER 69 71.656 -3.331 7.577 512 HA SER 69 HA SER 69 74.525 -2.927 6.871 513 1HB SER 69 1HB SER 69 73.778 -3.878 4.708 514 2HB SER 69 2HB SER 69 73.314 -4.916 6.052 515 HG SER 69 HG SER 69 71.739 -3.171 4.495 516 H GLY 70 H GLY 70 71.511 -1.267 6.894 517 1HA GLY 70 1HA GLY 70 71.116 0.997 6.311 518 2HA GLY 70 2HA GLY 70 72.738 1.066 5.619 519 H THR 71 H THR 71 70.649 -1.542 4.672 520 HA THR 71 HA THR 71 69.891 -0.116 2.162 521 HB THR 71 HB THR 71 70.704 -2.326 1.026 522 HG1 THR 71 HG1 THR 71 72.700 -2.843 2.485 523 1HG2 THR 71 1HG2 THR 71 71.824 0.154 1.363 524 2HG2 THR 71 2HG2 THR 71 73.094 -0.898 1.988 525 3HG2 THR 71 3HG2 THR 71 72.498 -1.116 0.342 526 H VAL 72 H VAL 72 68.086 -1.126 1.078 527 HA VAL 72 HA VAL 72 66.646 -3.184 2.723 528 HB VAL 72 HB VAL 72 65.708 -0.699 1.270 529 1HG1 VAL 72 1HG1 VAL 72 64.212 -3.156 2.118 530 2HG1 VAL 72 2HG1 VAL 72 63.423 -1.585 2.269 531 3HG1 VAL 72 3HG1 VAL 72 63.980 -2.144 0.692 532 1HG2 VAL 72 1HG2 VAL 72 66.556 -1.054 3.843 533 2HG2 VAL 72 2HG2 VAL 72 65.385 0.171 3.355 534 3HG2 VAL 72 3HG2 VAL 72 64.829 -1.368 4.016 535 H ASP 73 H ASP 73 65.346 -4.684 1.476 536 HA ASP 73 HA ASP 73 65.789 -4.668 -1.479 537 1HB ASP 73 1HB ASP 73 67.557 -6.027 -0.591 538 2HB ASP 73 2HB ASP 73 66.458 -6.830 0.530 539 H PHE 74 H PHE 74 64.381 -6.442 -2.506 540 HA PHE 74 HA PHE 74 61.669 -6.100 -2.102 541 1HB PHE 74 1HB PHE 74 62.953 -7.399 -3.889 542 2HB PHE 74 2HB PHE 74 62.965 -8.758 -2.765 543 HD1 PHE 74 HD1 PHE 74 60.599 -6.296 -4.322 544 HD2 PHE 74 HD2 PHE 74 61.176 -10.259 -2.769 545 HE1 PHE 74 HE1 PHE 74 58.305 -6.911 -5.037 546 HE2 PHE 74 HE2 PHE 74 58.883 -10.874 -3.485 547 HZ PHE 74 HZ PHE 74 57.447 -9.199 -4.619 548 H ASP 75 H ASP 75 63.861 -8.012 -0.143 549 HA ASP 75 HA ASP 75 61.746 -9.495 1.241 550 1HB ASP 75 1HB ASP 75 64.146 -10.216 0.796 551 2HB ASP 75 2HB ASP 75 64.637 -9.055 2.030 552 H GLU 76 H GLU 76 64.107 -7.005 2.307 553 HA GLU 76 HA GLU 76 62.632 -6.500 4.777 554 1HB GLU 76 1HB GLU 76 64.854 -4.943 3.416 555 2HB GLU 76 2HB GLU 76 64.414 -4.867 5.123 556 1HG GLU 76 1HG GLU 76 65.189 -7.060 5.542 557 2HG GLU 76 2HG GLU 76 65.203 -7.474 3.828 558 H PHE 77 H PHE 77 62.702 -5.135 1.545 559 HA PHE 77 HA PHE 77 61.572 -2.564 2.117 560 1HB PHE 77 1HB PHE 77 62.669 -3.287 0.001 561 2HB PHE 77 2HB PHE 77 61.298 -4.347 -0.326 562 HD1 PHE 77 HD1 PHE 77 61.608 -0.829 0.950 563 HD2 PHE 77 HD2 PHE 77 59.945 -3.464 -2.006 564 HE1 PHE 77 HE1 PHE 77 60.370 1.073 -0.049 565 HE2 PHE 77 HE2 PHE 77 58.708 -1.562 -3.006 566 HZ PHE 77 HZ PHE 77 58.920 0.708 -2.026 567 H LEU 78 H LEU 78 60.055 -5.698 1.310 568 HA LEU 78 HA LEU 78 57.356 -4.827 1.171 569 1HB LEU 78 1HB LEU 78 58.819 -7.367 1.820 570 2HB LEU 78 2HB LEU 78 57.067 -7.318 2.029 571 HG LEU 78 HG LEU 78 58.594 -6.691 -0.515 572 1HD1 LEU 78 1HD1 LEU 78 57.182 -9.058 0.567 573 2HD1 LEU 78 2HD1 LEU 78 56.787 -8.646 -1.102 574 3HD1 LEU 78 3HD1 LEU 78 58.460 -8.966 -0.644 575 1HD2 LEU 78 1HD2 LEU 78 55.775 -6.218 0.356 576 2HD2 LEU 78 2HD2 LEU 78 56.783 -5.273 -0.741 577 3HD2 LEU 78 3HD2 LEU 78 56.034 -6.770 -1.298 578 H VAL 79 H VAL 79 59.285 -5.902 3.979 579 HA VAL 79 HA VAL 79 57.286 -5.910 5.965 580 HB VAL 79 HB VAL 79 60.173 -4.977 6.115 581 1HG1 VAL 79 1HG1 VAL 79 58.371 -4.722 8.091 582 2HG1 VAL 79 2HG1 VAL 79 58.803 -6.413 8.341 583 3HG1 VAL 79 3HG1 VAL 79 60.049 -5.166 8.406 584 1HG2 VAL 79 1HG2 VAL 79 58.859 -7.636 5.847 585 2HG2 VAL 79 2HG2 VAL 79 60.449 -7.108 5.297 586 3HG2 VAL 79 3HG2 VAL 79 60.197 -7.530 6.991 587 H MET 80 H MET 80 59.108 -3.177 4.604 588 HA MET 80 HA MET 80 58.319 -1.143 6.416 589 1HB MET 80 1HB MET 80 59.768 -1.417 4.060 590 2HB MET 80 2HB MET 80 58.439 -0.354 3.596 591 1HG MET 80 1HG MET 80 59.018 1.274 5.197 592 2HG MET 80 2HG MET 80 59.994 0.140 6.129 593 1HE MET 80 1HE MET 80 59.509 2.341 3.191 594 2HE MET 80 2HE MET 80 60.998 2.322 2.250 595 3HE MET 80 3HE MET 80 59.885 0.949 2.177 596 H MET 81 H MET 81 56.552 -2.693 3.797 597 HA MET 81 HA MET 81 54.402 -0.680 3.800 598 1HB MET 81 1HB MET 81 55.215 -3.124 2.313 599 2HB MET 81 2HB MET 81 53.485 -2.781 2.350 600 1HG MET 81 1HG MET 81 54.374 -1.655 0.420 601 2HG MET 81 2HG MET 81 54.042 -0.414 1.630 602 1HE MET 81 1HE MET 81 55.092 1.245 1.478 603 2HE MET 81 2HE MET 81 56.781 1.542 1.884 604 3HE MET 81 3HE MET 81 56.296 1.337 0.195 605 H VAL 82 H VAL 82 54.987 -3.928 5.090 606 HA VAL 82 HA VAL 82 52.295 -4.494 5.921 607 HB VAL 82 HB VAL 82 54.874 -5.411 7.217 608 1HG1 VAL 82 1HG1 VAL 82 52.091 -6.528 6.889 609 2HG1 VAL 82 2HG1 VAL 82 53.462 -7.585 7.223 610 3HG1 VAL 82 3HG1 VAL 82 53.024 -6.320 8.371 611 1HG2 VAL 82 1HG2 VAL 82 53.753 -5.934 4.495 612 2HG2 VAL 82 2HG2 VAL 82 55.436 -5.848 5.017 613 3HG2 VAL 82 3HG2 VAL 82 54.479 -7.290 5.357 614 H ARG 83 H ARG 83 55.069 -3.017 7.619 615 HA ARG 83 HA ARG 83 53.890 -2.744 10.187 616 1HB ARG 83 1HB ARG 83 56.070 -1.497 8.587 617 2HB ARG 83 2HB ARG 83 55.548 -0.620 10.026 618 1HG ARG 83 1HG ARG 83 55.752 -2.888 11.249 619 2HG ARG 83 2HG ARG 83 56.680 -3.411 9.843 620 1HD ARG 83 1HD ARG 83 58.381 -2.576 11.222 621 2HD ARG 83 2HD ARG 83 57.984 -1.130 10.272 622 HE ARG 83 HE ARG 83 56.222 -1.283 12.523 623 1HH1 ARG 83 1HH1 ARG 83 59.002 -1.920 13.657 624 2HH1 ARG 83 2HH1 ARG 83 59.531 -0.339 14.125 625 1HH2 ARG 83 1HH2 ARG 83 57.112 1.310 12.264 626 2HH2 ARG 83 2HH2 ARG 83 58.461 1.491 13.337 627 H CYS 84 H CYS 84 53.111 -1.137 7.237 628 HA CYS 84 HA CYS 84 51.834 1.148 8.668 629 1HB CYS 84 1HB CYS 84 53.301 1.588 6.736 630 2HB CYS 84 2HB CYS 84 52.301 0.538 5.731 631 HG CYS 84 HG CYS 84 50.293 2.280 6.228 632 H MET 85 H MET 85 51.081 -1.897 7.263 633 HA MET 85 HA MET 85 48.441 -1.446 6.275 634 1HB MET 85 1HB MET 85 49.959 -3.783 7.436 635 2HB MET 85 2HB MET 85 48.285 -3.964 6.908 636 1HG MET 85 1HG MET 85 50.329 -2.703 5.090 637 2HG MET 85 2HG MET 85 50.181 -4.457 5.191 638 1HE MET 85 1HE MET 85 50.065 -4.380 2.987 639 2HE MET 85 2HE MET 85 48.549 -5.210 2.613 640 3HE MET 85 3HE MET 85 48.882 -3.625 1.921 641 H LYS 86 H LYS 86 46.405 -2.138 7.369 642 HA LYS 86 HA LYS 86 46.487 -1.982 10.352 643 1HB LYS 86 1HB LYS 86 44.594 -0.387 8.602 644 2HB LYS 86 2HB LYS 86 44.864 -0.206 10.336 645 1HG LYS 86 1HG LYS 86 47.330 0.282 9.680 646 2HG LYS 86 2HG LYS 86 46.687 0.559 8.062 647 1HD LYS 86 1HD LYS 86 44.975 2.115 9.234 648 2HD LYS 86 2HD LYS 86 46.086 2.064 10.604 649 1HE LYS 86 1HE LYS 86 47.764 3.209 9.463 650 2HE LYS 86 2HE LYS 86 47.191 2.668 7.874 651 1HZ LYS 86 1HZ LYS 86 45.166 4.102 9.272 652 2HZ LYS 86 2HZ LYS 86 46.565 5.048 9.113 653 3HZ LYS 86 3HZ LYS 86 45.820 4.397 7.733 654 H ASP 87 H ASP 87 44.568 -2.606 7.418 655 HA ASP 87 HA ASP 87 43.470 -5.063 8.481 656 1HB ASP 87 1HB ASP 87 42.276 -2.625 9.297 657 2HB ASP 87 2HB ASP 87 41.170 -3.352 8.131 658 H ASP 88 H ASP 88 44.715 -4.652 6.090 659 HA ASP 88 HA ASP 88 42.563 -4.343 4.038 660 1HB ASP 88 1HB ASP 88 45.578 -4.485 3.728 661 2HB ASP 88 2HB ASP 88 44.414 -3.927 2.526 662 H SER 89 H SER 89 41.658 -6.490 4.318 663 HA SER 89 HA SER 89 43.480 -8.727 3.496 664 1HB SER 89 1HB SER 89 41.985 -8.413 5.777 665 2HB SER 89 2HB SER 89 40.875 -9.326 4.758 666 HG SER 89 HG SER 89 42.964 -10.218 6.100 667 1H ARG 1 1H ARG 1 57.064 12.085 7.864 668 2H ARG 1 2H ARG 1 58.017 11.535 9.155 669 3H ARG 1 3H ARG 1 58.570 11.361 7.558 670 HA ARG 1 HA ARG 1 57.785 9.229 8.289 671 1HB ARG 1 1HB ARG 1 56.013 10.990 9.678 672 2HB ARG 1 2HB ARG 1 55.028 9.879 8.726 673 1HG ARG 1 1HG ARG 1 55.436 8.236 10.204 674 2HG ARG 1 2HG ARG 1 57.167 8.388 9.902 675 1HD ARG 1 1HD ARG 1 57.308 9.071 12.072 676 2HD ARG 1 2HD ARG 1 56.601 10.596 11.504 677 HE ARG 1 HE ARG 1 54.337 9.443 11.901 678 1HH1 ARG 1 1HH1 ARG 1 56.439 7.169 12.899 679 2HH1 ARG 1 2HH1 ARG 1 55.980 7.153 14.569 680 1HH2 ARG 1 1HH2 ARG 1 54.077 10.044 14.348 681 2HH2 ARG 1 2HH2 ARG 1 54.642 8.781 15.390 682 H ILE 2 H ILE 2 56.824 7.874 6.715 683 HA ILE 2 HA ILE 2 55.453 9.289 4.448 684 HB ILE 2 HB ILE 2 57.793 8.539 4.018 685 1HG1 ILE 2 1HG1 ILE 2 55.675 6.922 2.560 686 2HG1 ILE 2 2HG1 ILE 2 56.129 8.584 2.180 687 1HG2 ILE 2 1HG2 ILE 2 56.591 5.884 4.819 688 2HG2 ILE 2 2HG2 ILE 2 58.045 5.983 3.824 689 3HG2 ILE 2 3HG2 ILE 2 58.043 6.661 5.453 690 1HD1 ILE 2 1HD1 ILE 2 58.479 6.893 2.325 691 2HD1 ILE 2 2HD1 ILE 2 57.316 6.244 1.170 692 3HD1 ILE 2 3HD1 ILE 2 57.911 7.893 0.989 693 H SER 3 H SER 3 53.894 7.920 3.262 694 HA SER 3 HA SER 3 52.910 5.554 4.813 695 1HB SER 3 1HB SER 3 51.667 7.645 5.376 696 2HB SER 3 2HB SER 3 51.253 7.831 3.674 697 HG SER 3 HG SER 3 50.724 5.389 4.931 698 H ALA 4 H ALA 4 51.443 4.178 3.463 699 HA ALA 4 HA ALA 4 52.513 3.798 0.784 700 1HB ALA 4 1HB ALA 4 51.347 2.257 2.720 701 2HB ALA 4 2HB ALA 4 49.998 2.465 1.602 702 3HB ALA 4 3HB ALA 4 51.511 1.755 1.037 703 H ASP 5 H ASP 5 49.267 4.659 2.039 704 HA ASP 5 HA ASP 5 47.827 5.007 -0.298 705 1HB ASP 5 1HB ASP 5 47.975 6.590 2.272 706 2HB ASP 5 2HB ASP 5 46.758 6.939 1.043 707 H ALA 6 H ALA 6 50.160 7.323 1.101 708 HA ALA 6 HA ALA 6 49.767 9.245 -1.088 709 1HB ALA 6 1HB ALA 6 51.704 9.016 1.236 710 2HB ALA 6 2HB ALA 6 51.616 10.411 0.161 711 3HB ALA 6 3HB ALA 6 50.237 9.993 1.179 712 H MET 7 H MET 7 51.864 6.552 -0.376 713 HA MET 7 HA MET 7 54.088 7.271 -2.064 714 1HB MET 7 1HB MET 7 53.739 5.472 -0.183 715 2HB MET 7 2HB MET 7 53.178 4.456 -1.511 716 1HG MET 7 1HG MET 7 55.851 5.886 -1.443 717 2HG MET 7 2HG MET 7 55.615 4.178 -1.074 718 1HE MET 7 1HE MET 7 57.576 5.411 -3.232 719 2HE MET 7 2HE MET 7 57.461 3.679 -2.895 720 3HE MET 7 3HE MET 7 57.395 4.263 -4.556 721 H MET 8 H MET 8 51.121 5.369 -2.627 722 HA MET 8 HA MET 8 51.808 4.668 -5.363 723 1HB MET 8 1HB MET 8 49.160 4.735 -3.878 724 2HB MET 8 2HB MET 8 49.483 3.845 -5.367 725 1HG MET 8 1HG MET 8 50.991 3.409 -2.774 726 2HG MET 8 2HG MET 8 49.626 2.424 -3.301 727 1HE MET 8 1HE MET 8 52.911 3.405 -3.216 728 2HE MET 8 2HE MET 8 53.682 1.858 -3.556 729 3HE MET 8 3HE MET 8 53.693 3.141 -4.772 730 H GLN 9 H GLN 9 49.555 7.052 -3.915 731 HA GLN 9 HA GLN 9 48.628 8.159 -6.383 732 1HB GLN 9 1HB GLN 9 48.121 8.415 -3.689 733 2HB GLN 9 2HB GLN 9 48.856 9.972 -4.070 734 1HG GLN 9 1HG GLN 9 46.875 10.623 -4.921 735 2HG GLN 9 2HG GLN 9 47.100 9.432 -6.204 736 1HE2 GLN 9 2HE2 GLN 9 45.212 10.217 -3.412 737 2HE2 GLN 9 1HE2 GLN 9 44.316 8.778 -3.348 738 H ALA 10 H ALA 10 51.408 8.988 -4.315 739 HA ALA 10 HA ALA 10 52.179 11.398 -5.645 740 1HB ALA 10 1HB ALA 10 53.415 9.316 -3.892 741 2HB ALA 10 2HB ALA 10 54.503 10.440 -4.706 742 3HB ALA 10 3HB ALA 10 53.253 11.052 -3.623 743 H LEU 11 H LEU 11 53.390 8.052 -6.078 744 HA LEU 11 HA LEU 11 53.973 8.694 -8.933 745 1HB LEU 11 1HB LEU 11 56.243 7.773 -8.647 746 2HB LEU 11 2HB LEU 11 55.993 9.126 -7.544 747 HG LEU 11 HG LEU 11 55.194 6.507 -6.449 748 1HD1 LEU 11 1HD1 LEU 11 57.336 6.136 -7.892 749 2HD1 LEU 11 2HD1 LEU 11 58.149 7.067 -6.635 750 3HD1 LEU 11 3HD1 LEU 11 57.334 5.557 -6.226 751 1HD2 LEU 11 1HD2 LEU 11 56.289 9.095 -5.609 752 2HD2 LEU 11 2HD2 LEU 11 55.299 7.949 -4.704 753 3HD2 LEU 11 3HD2 LEU 11 57.048 7.732 -4.784 754 H LEU 12 H LEU 12 54.650 6.549 -10.066 755 HA LEU 12 HA LEU 12 54.174 4.295 -10.596 756 1HB LEU 12 1HB LEU 12 53.443 4.023 -7.671 757 2HB LEU 12 2HB LEU 12 54.103 2.791 -8.742 758 HG LEU 12 HG LEU 12 55.665 5.305 -8.172 759 1HD1 LEU 12 1HD1 LEU 12 55.173 2.972 -6.384 760 2HD1 LEU 12 2HD1 LEU 12 56.827 3.575 -6.491 761 3HD1 LEU 12 3HD1 LEU 12 55.529 4.649 -5.972 762 1HD2 LEU 12 1HD2 LEU 12 56.366 3.792 -10.010 763 2HD2 LEU 12 2HD2 LEU 12 57.553 3.821 -8.707 764 3HD2 LEU 12 3HD2 LEU 12 56.448 2.454 -8.863 765 H GLY 13 H GLY 13 52.307 4.579 -11.863 766 1HA GLY 13 1HA GLY 13 50.036 4.148 -12.352 767 2HA GLY 13 2HA GLY 13 49.783 3.765 -10.649 768 H ALA 14 H ALA 14 51.337 6.770 -11.273 769 HA ALA 14 HA ALA 14 48.767 8.188 -10.648 770 1HB ALA 14 1HB ALA 14 51.433 8.181 -9.520 771 2HB ALA 14 2HB ALA 14 51.007 9.807 -10.056 772 3HB ALA 14 3HB ALA 14 49.975 8.959 -8.903 773 H ARG 15 H ARG 15 48.659 8.004 -13.187 774 HA ARG 15 HA ARG 15 48.681 9.208 -15.223 775 1HB ARG 15 1HB ARG 15 48.407 10.998 -13.258 776 2HB ARG 15 2HB ARG 15 50.005 11.494 -13.817 777 1HG ARG 15 1HG ARG 15 49.176 12.393 -15.722 778 2HG ARG 15 2HG ARG 15 48.125 11.007 -16.015 779 1HD ARG 15 1HD ARG 15 46.640 11.934 -14.123 780 2HD ARG 15 2HD ARG 15 47.572 13.435 -14.296 781 HE ARG 15 HE ARG 15 45.580 12.517 -16.156 782 1HH1 ARG 15 1HH1 ARG 15 48.125 12.191 -17.743 783 2HH1 ARG 15 2HH1 ARG 15 48.284 13.751 -18.477 784 1HH2 ARG 15 1HH2 ARG 15 46.032 15.285 -16.332 785 2HH2 ARG 15 2HH2 ARG 15 47.102 15.503 -17.678 786 H ALA 16 H ALA 16 50.219 8.301 -16.562 787 HA ALA 16 HA ALA 16 52.972 7.974 -16.093 788 1HB ALA 16 1HB ALA 16 51.081 7.608 -18.158 789 2HB ALA 16 2HB ALA 16 52.392 8.547 -18.873 790 3HB ALA 16 3HB ALA 16 52.733 6.992 -18.115 791 H LYS 17 H LYS 17 51.597 10.482 -18.262 792 HA LYS 17 HA LYS 17 53.931 12.224 -17.540 793 1HB LYS 17 1HB LYS 17 53.732 13.087 -19.802 794 2HB LYS 17 2HB LYS 17 53.727 11.326 -19.889 795 1HG LYS 17 1HG LYS 17 51.165 11.490 -19.801 796 2HG LYS 17 2HG LYS 17 51.378 13.209 -20.133 797 1HD LYS 17 1HD LYS 17 51.060 12.109 -22.253 798 2HD LYS 17 2HD LYS 17 52.762 12.557 -22.146 799 1HE LYS 17 1HE LYS 17 53.467 10.363 -21.935 800 2HE LYS 17 2HE LYS 17 51.973 9.854 -21.122 801 1HZ LYS 17 1HZ LYS 17 50.855 10.464 -23.320 802 2HZ LYS 17 2HZ LYS 17 52.410 10.402 -23.995 803 3HZ LYS 17 3HZ LYS 17 51.744 9.017 -23.272 Start of MODEL 11 1 1H MET 1 1H MET 1 61.946 -8.118 18.970 2 2H MET 1 2H MET 1 63.015 -7.975 17.656 3 3H MET 1 3H MET 1 62.811 -6.677 18.728 4 HA MET 1 HA MET 1 60.852 -6.012 17.807 5 1HB MET 1 1HB MET 1 62.550 -7.508 15.823 6 2HB MET 1 2HB MET 1 61.066 -6.720 15.282 7 1HG MET 1 1HG MET 1 62.943 -5.149 17.000 8 2HG MET 1 2HG MET 1 63.385 -5.409 15.312 9 1HE MET 1 1HE MET 1 63.463 -2.856 15.666 10 2HE MET 1 2HE MET 1 62.082 -1.775 15.436 11 3HE MET 1 3HE MET 1 62.390 -2.492 17.015 12 H ASP 2 H ASP 2 58.756 -6.586 16.843 13 HA ASP 2 HA ASP 2 57.589 -8.979 17.861 14 1HB ASP 2 1HB ASP 2 56.893 -6.680 16.170 15 2HB ASP 2 2HB ASP 2 55.985 -8.136 15.765 16 H ASP 3 H ASP 3 56.798 -10.846 16.650 17 HA ASP 3 HA ASP 3 58.493 -11.470 14.257 18 1HB ASP 3 1HB ASP 3 57.160 -13.187 16.376 19 2HB ASP 3 2HB ASP 3 58.047 -13.836 14.996 20 H ILE 4 H ILE 4 55.732 -10.099 14.468 21 HA ILE 4 HA ILE 4 53.921 -12.051 13.203 22 HB ILE 4 HB ILE 4 53.221 -10.300 14.855 23 1HG1 ILE 4 1HG1 ILE 4 52.063 -10.165 12.055 24 2HG1 ILE 4 2HG1 ILE 4 51.520 -11.189 13.386 25 1HG2 ILE 4 1HG2 ILE 4 54.868 -8.600 13.791 26 2HG2 ILE 4 2HG2 ILE 4 53.581 -8.303 12.623 27 3HG2 ILE 4 3HG2 ILE 4 53.305 -7.998 14.339 28 1HD1 ILE 4 1HD1 ILE 4 51.527 -8.496 14.322 29 2HD1 ILE 4 2HD1 ILE 4 50.703 -8.516 12.763 30 3HD1 ILE 4 3HD1 ILE 4 50.138 -9.554 14.073 31 H TYR 5 H TYR 5 55.790 -9.169 12.262 32 HA TYR 5 HA TYR 5 54.817 -8.785 9.639 33 1HB TYR 5 1HB TYR 5 57.653 -8.558 10.701 34 2HB TYR 5 2HB TYR 5 57.013 -7.722 9.286 35 HD1 TYR 5 HD1 TYR 5 54.509 -6.641 9.940 36 HD2 TYR 5 HD2 TYR 5 57.893 -7.151 12.535 37 HE1 TYR 5 HE1 TYR 5 53.670 -4.814 11.393 38 HE2 TYR 5 HE2 TYR 5 57.056 -5.324 13.988 39 HH TYR 5 HH TYR 5 54.144 -4.289 14.144 40 H LYS 6 H LYS 6 57.662 -10.736 10.623 41 HA LYS 6 HA LYS 6 58.480 -11.832 8.234 42 1HB LYS 6 1HB LYS 6 58.117 -12.978 11.000 43 2HB LYS 6 2HB LYS 6 58.841 -13.945 9.716 44 1HG LYS 6 1HG LYS 6 60.570 -12.255 9.367 45 2HG LYS 6 2HG LYS 6 59.822 -11.206 10.573 46 1HD LYS 6 1HD LYS 6 60.687 -14.011 11.269 47 2HD LYS 6 2HD LYS 6 61.823 -12.663 11.332 48 1HE LYS 6 1HE LYS 6 59.610 -11.646 12.659 49 2HE LYS 6 2HE LYS 6 59.656 -13.339 13.189 50 1HZ LYS 6 1HZ LYS 6 62.200 -12.877 13.308 51 2HZ LYS 6 2HZ LYS 6 61.714 -11.255 13.452 52 3HZ LYS 6 3HZ LYS 6 61.196 -12.405 14.590 53 H ALA 7 H ALA 7 55.510 -12.603 9.983 54 HA ALA 7 HA ALA 7 54.844 -14.899 8.287 55 1HB ALA 7 1HB ALA 7 54.174 -14.064 10.782 56 2HB ALA 7 2HB ALA 7 52.780 -13.471 9.880 57 3HB ALA 7 3HB ALA 7 53.185 -15.187 9.851 58 H ALA 8 H ALA 8 53.650 -11.540 8.638 59 HA ALA 8 HA ALA 8 51.656 -11.607 6.625 60 1HB ALA 8 1HB ALA 8 52.058 -9.810 8.303 61 2HB ALA 8 2HB ALA 8 53.522 -9.351 7.433 62 3HB ALA 8 3HB ALA 8 51.946 -9.163 6.666 63 H VAL 9 H VAL 9 55.164 -11.081 6.380 64 HA VAL 9 HA VAL 9 55.290 -10.250 3.657 65 HB VAL 9 HB VAL 9 57.265 -12.003 5.147 66 1HG1 VAL 9 1HG1 VAL 9 57.768 -11.498 2.775 67 2HG1 VAL 9 2HG1 VAL 9 57.618 -9.774 3.117 68 3HG1 VAL 9 3HG1 VAL 9 58.917 -10.711 3.858 69 1HG2 VAL 9 1HG2 VAL 9 56.232 -9.354 5.802 70 2HG2 VAL 9 2HG2 VAL 9 57.291 -10.403 6.745 71 3HG2 VAL 9 3HG2 VAL 9 57.975 -9.327 5.527 72 H GLU 10 H GLU 10 55.602 -13.540 5.056 73 HA GLU 10 HA GLU 10 55.774 -14.896 2.523 74 1HB GLU 10 1HB GLU 10 56.059 -15.475 5.209 75 2HB GLU 10 2HB GLU 10 54.586 -16.348 4.790 76 1HG GLU 10 1HG GLU 10 55.724 -17.486 2.961 77 2HG GLU 10 2HG GLU 10 57.187 -16.542 3.246 78 H GLN 11 H GLN 11 53.110 -13.610 4.355 79 HA GLN 11 HA GLN 11 51.087 -15.244 2.949 80 1HB GLN 11 1HB GLN 11 51.324 -13.520 5.299 81 2HB GLN 11 2HB GLN 11 49.847 -13.199 4.387 82 1HG GLN 11 1HG GLN 11 48.919 -15.077 5.206 83 2HG GLN 11 2HG GLN 11 50.230 -16.035 4.516 84 1HE2 GLN 11 2HE2 GLN 11 48.913 -14.793 7.477 85 2HE2 GLN 11 1HE2 GLN 11 50.155 -15.331 8.501 86 H LEU 12 H LEU 12 52.940 -13.057 1.680 87 HA LEU 12 HA LEU 12 51.033 -11.022 0.760 88 1HB LEU 12 1HB LEU 12 53.920 -11.751 0.303 89 2HB LEU 12 2HB LEU 12 53.138 -10.556 -0.732 90 HG LEU 12 HG LEU 12 53.289 -10.433 2.296 91 1HD1 LEU 12 1HD1 LEU 12 55.388 -9.980 0.795 92 2HD1 LEU 12 2HD1 LEU 12 54.548 -8.487 0.377 93 3HD1 LEU 12 3HD1 LEU 12 54.970 -8.820 2.056 94 1HD2 LEU 12 1HD2 LEU 12 52.019 -8.668 0.194 95 2HD2 LEU 12 2HD2 LEU 12 51.271 -9.357 1.634 96 3HD2 LEU 12 3HD2 LEU 12 52.448 -8.052 1.790 97 H THR 13 H THR 13 49.485 -11.730 -0.685 98 HA THR 13 HA THR 13 49.668 -13.994 -2.394 99 HB THR 13 HB THR 13 47.724 -12.907 -3.505 100 HG1 THR 13 HG1 THR 13 47.241 -10.823 -3.063 101 1HG2 THR 13 1HG2 THR 13 47.944 -12.833 -0.500 102 2HG2 THR 13 2HG2 THR 13 46.438 -12.410 -1.315 103 3HG2 THR 13 3HG2 THR 13 47.128 -14.021 -1.515 104 H GLU 14 H GLU 14 50.229 -14.162 -4.626 105 HA GLU 14 HA GLU 14 52.436 -12.719 -5.606 106 1HB GLU 14 1HB GLU 14 51.671 -13.673 -7.815 107 2HB GLU 14 2HB GLU 14 51.703 -14.855 -6.505 108 1HG GLU 14 1HG GLU 14 49.187 -13.957 -6.194 109 2HG GLU 14 2HG GLU 14 49.373 -13.662 -7.923 110 H GLU 15 H GLU 15 49.094 -11.794 -5.500 111 HA GLU 15 HA GLU 15 49.247 -9.790 -7.629 112 1HB GLU 15 1HB GLU 15 47.269 -11.182 -6.400 113 2HB GLU 15 2HB GLU 15 47.176 -9.669 -5.499 114 1HG GLU 15 1HG GLU 15 46.228 -8.603 -7.243 115 2HG GLU 15 2HG GLU 15 47.485 -9.170 -8.344 116 H GLN 16 H GLN 16 48.653 -9.476 -4.104 117 HA GLN 16 HA GLN 16 49.102 -6.707 -3.877 118 1HB GLN 16 1HB GLN 16 48.178 -7.918 -2.054 119 2HB GLN 16 2HB GLN 16 49.509 -9.076 -2.045 120 1HG GLN 16 1HG GLN 16 51.004 -7.543 -1.072 121 2HG GLN 16 2HG GLN 16 50.022 -6.152 -1.533 122 1HE2 GLN 16 2HE2 GLN 16 47.916 -5.876 -0.340 123 2HE2 GLN 16 1HE2 GLN 16 47.770 -6.497 1.233 124 H LYS 17 H LYS 17 51.450 -9.374 -3.912 125 HA LYS 17 HA LYS 17 53.745 -7.779 -3.185 126 1HB LYS 17 1HB LYS 17 54.007 -10.072 -2.872 127 2HB LYS 17 2HB LYS 17 53.150 -10.475 -4.358 128 1HG LYS 17 1HG LYS 17 55.793 -9.039 -4.487 129 2HG LYS 17 2HG LYS 17 55.745 -10.790 -4.275 130 1HD LYS 17 1HD LYS 17 53.877 -10.229 -6.305 131 2HD LYS 17 2HD LYS 17 55.290 -9.239 -6.677 132 1HE LYS 17 1HE LYS 17 55.337 -12.231 -6.126 133 2HE LYS 17 2HE LYS 17 55.533 -11.465 -7.715 134 1HZ LYS 17 1HZ LYS 17 57.273 -10.071 -6.249 135 2HZ LYS 17 2HZ LYS 17 57.385 -11.582 -5.481 136 3HZ LYS 17 3HZ LYS 17 57.699 -11.446 -7.145 137 H ASN 18 H ASN 18 52.099 -8.492 -6.227 138 HA ASN 18 HA ASN 18 54.188 -7.607 -8.003 139 1HB ASN 18 1HB ASN 18 51.324 -8.318 -8.056 140 2HB ASN 18 2HB ASN 18 51.800 -7.164 -9.301 141 1HD2 ASN 18 2HD2 ASN 18 51.437 -10.409 -8.888 142 2HD2 ASN 18 1HD2 ASN 18 52.645 -10.981 -9.934 143 H GLU 19 H GLU 19 51.646 -5.938 -6.210 144 HA GLU 19 HA GLU 19 51.839 -3.413 -7.611 145 1HB GLU 19 1HB GLU 19 50.686 -4.494 -5.067 146 2HB GLU 19 2HB GLU 19 50.811 -2.743 -5.243 147 1HG GLU 19 1HG GLU 19 49.394 -2.708 -7.127 148 2HG GLU 19 2HG GLU 19 49.608 -4.434 -7.429 149 H PHE 20 H PHE 20 53.193 -4.597 -4.513 150 HA PHE 20 HA PHE 20 54.640 -2.232 -3.837 151 1HB PHE 20 1HB PHE 20 54.905 -5.178 -3.223 152 2HB PHE 20 2HB PHE 20 56.008 -3.994 -2.522 153 HD1 PHE 20 HD1 PHE 20 54.300 -1.674 -2.055 154 HD2 PHE 20 HD2 PHE 20 53.453 -5.848 -1.492 155 HE1 PHE 20 HE1 PHE 20 52.603 -1.099 -0.341 156 HE2 PHE 20 HE2 PHE 20 51.757 -5.272 0.223 157 HZ PHE 20 HZ PHE 20 51.331 -2.897 0.798 158 H LYS 21 H LYS 21 55.551 -5.078 -5.776 159 HA LYS 21 HA LYS 21 58.270 -4.772 -6.152 160 1HB LYS 21 1HB LYS 21 55.978 -5.812 -7.597 161 2HB LYS 21 2HB LYS 21 57.186 -5.187 -8.721 162 1HG LYS 21 1HG LYS 21 58.418 -6.687 -6.549 163 2HG LYS 21 2HG LYS 21 57.255 -7.669 -7.441 164 1HD LYS 21 1HD LYS 21 58.372 -7.294 -9.513 165 2HD LYS 21 2HD LYS 21 59.346 -5.988 -8.836 166 1HE LYS 21 1HE LYS 21 60.948 -7.558 -8.466 167 2HE LYS 21 2HE LYS 21 59.895 -8.191 -7.185 168 1HZ LYS 21 1HZ LYS 21 59.567 -8.885 -10.051 169 2HZ LYS 21 2HZ LYS 21 60.472 -9.831 -8.972 170 3HZ LYS 21 3HZ LYS 21 58.807 -9.611 -8.715 171 H ALA 22 H ALA 22 55.719 -2.895 -7.823 172 HA ALA 22 HA ALA 22 57.318 -1.346 -9.544 173 1HB ALA 22 1HB ALA 22 54.672 -1.333 -8.390 174 2HB ALA 22 2HB ALA 22 55.299 0.316 -8.436 175 3HB ALA 22 3HB ALA 22 55.205 -0.634 -9.919 176 H ALA 23 H ALA 23 56.144 -0.228 -6.340 177 HA ALA 23 HA ALA 23 57.792 2.035 -6.086 178 1HB ALA 23 1HB ALA 23 56.425 0.105 -4.253 179 2HB ALA 23 2HB ALA 23 57.549 1.260 -3.535 180 3HB ALA 23 3HB ALA 23 56.159 1.837 -4.452 181 H PHE 24 H PHE 24 58.468 -1.296 -4.945 182 HA PHE 24 HA PHE 24 61.035 -0.854 -3.851 183 1HB PHE 24 1HB PHE 24 59.923 -2.936 -3.519 184 2HB PHE 24 2HB PHE 24 59.698 -3.177 -5.252 185 HD1 PHE 24 HD1 PHE 24 62.335 -2.886 -2.618 186 HD2 PHE 24 HD2 PHE 24 61.297 -4.356 -6.520 187 HE1 PHE 24 HE1 PHE 24 64.489 -4.109 -2.731 188 HE2 PHE 24 HE2 PHE 24 63.453 -5.578 -6.632 189 HZ PHE 24 HZ PHE 24 65.048 -5.454 -4.737 190 H ASP 25 H ASP 25 60.035 -1.314 -7.220 191 HA ASP 25 HA ASP 25 62.674 -1.639 -8.332 192 1HB ASP 25 1HB ASP 25 60.702 -2.319 -9.538 193 2HB ASP 25 2HB ASP 25 59.998 -0.706 -9.411 194 H ILE 26 H ILE 26 60.498 1.216 -8.211 195 HA ILE 26 HA ILE 26 62.369 3.080 -9.307 196 HB ILE 26 HB ILE 26 59.982 3.317 -7.453 197 1HG1 ILE 26 1HG1 ILE 26 59.198 4.391 -9.775 198 2HG1 ILE 26 2HG1 ILE 26 60.460 3.329 -10.403 199 1HG2 ILE 26 1HG2 ILE 26 61.882 5.266 -7.682 200 2HG2 ILE 26 2HG2 ILE 26 60.830 5.671 -9.036 201 3HG2 ILE 26 3HG2 ILE 26 60.173 5.591 -7.402 202 1HD1 ILE 26 1HD1 ILE 26 58.468 2.240 -8.439 203 2HD1 ILE 26 2HD1 ILE 26 58.005 2.418 -10.131 204 3HD1 ILE 26 3HD1 ILE 26 59.374 1.395 -9.694 205 H PHE 27 H PHE 27 61.974 1.757 -6.084 206 HA PHE 27 HA PHE 27 63.429 3.758 -4.618 207 1HB PHE 27 1HB PHE 27 62.313 1.067 -4.275 208 2HB PHE 27 2HB PHE 27 63.775 1.327 -3.320 209 HD1 PHE 27 HD1 PHE 27 61.519 4.076 -4.304 210 HD2 PHE 27 HD2 PHE 27 62.640 1.367 -1.164 211 HE1 PHE 27 HE1 PHE 27 60.223 5.426 -2.678 212 HE2 PHE 27 HE2 PHE 27 61.341 2.716 0.462 213 HZ PHE 27 HZ PHE 27 60.133 4.745 -0.295 214 H VAL 28 H VAL 28 64.419 1.000 -6.569 215 HA VAL 28 HA VAL 28 67.264 1.408 -5.736 216 HB VAL 28 HB VAL 28 67.578 -0.846 -6.565 217 1HG1 VAL 28 1HG1 VAL 28 65.624 -0.159 -4.589 218 2HG1 VAL 28 2HG1 VAL 28 65.069 -1.603 -5.435 219 3HG1 VAL 28 3HG1 VAL 28 66.651 -1.591 -4.656 220 1HG2 VAL 28 1HG2 VAL 28 65.409 -0.133 -8.268 221 2HG2 VAL 28 2HG2 VAL 28 66.371 -1.610 -8.307 222 3HG2 VAL 28 3HG2 VAL 28 64.900 -1.542 -7.337 223 H LEU 29 H LEU 29 65.639 3.081 -7.707 224 HA LEU 29 HA LEU 29 66.323 2.562 -10.398 225 1HB LEU 29 1HB LEU 29 65.608 4.883 -8.689 226 2HB LEU 29 2HB LEU 29 66.361 5.274 -10.235 227 HG LEU 29 HG LEU 29 64.073 3.314 -10.058 228 1HD1 LEU 29 1HD1 LEU 29 64.041 6.307 -9.986 229 2HD1 LEU 29 2HD1 LEU 29 62.804 5.479 -10.931 230 3HD1 LEU 29 3HD1 LEU 29 62.956 5.157 -9.204 231 1HD2 LEU 29 1HD2 LEU 29 65.788 4.083 -12.104 232 2HD2 LEU 29 2HD2 LEU 29 64.217 3.312 -12.319 233 3HD2 LEU 29 3HD2 LEU 29 64.354 5.068 -12.388 234 H GLY 30 H GLY 30 68.300 3.804 -7.766 235 1HA GLY 30 1HA GLY 30 70.563 4.107 -9.702 236 2HA GLY 30 2HA GLY 30 70.401 5.100 -8.253 237 H ALA 31 H ALA 31 69.706 1.648 -8.323 238 HA ALA 31 HA ALA 31 71.817 1.241 -6.269 239 1HB ALA 31 1HB ALA 31 69.285 0.517 -6.250 240 2HB ALA 31 2HB ALA 31 69.858 -0.823 -7.245 241 3HB ALA 31 3HB ALA 31 70.505 -0.590 -5.620 242 H GLU 32 H GLU 32 72.377 -1.452 -6.675 243 HA GLU 32 HA GLU 32 73.510 -1.574 -9.447 244 1HB GLU 32 1HB GLU 32 74.814 -1.503 -6.796 245 2HB GLU 32 2HB GLU 32 75.419 -2.759 -7.877 246 1HG GLU 32 1HG GLU 32 75.041 -0.269 -9.313 247 2HG GLU 32 2HG GLU 32 76.103 -0.034 -7.923 248 H ASP 33 H ASP 33 72.780 -3.389 -6.456 249 HA ASP 33 HA ASP 33 72.486 -5.867 -8.117 250 1HB ASP 33 1HB ASP 33 73.953 -5.314 -5.830 251 2HB ASP 33 2HB ASP 33 72.513 -6.105 -5.189 252 H GLY 34 H GLY 34 70.553 -3.484 -7.184 253 1HA GLY 34 1HA GLY 34 68.156 -3.571 -7.182 254 2HA GLY 34 2HA GLY 34 68.243 -5.294 -6.807 255 H CYS 35 H CYS 35 70.097 -2.877 -5.058 256 HA CYS 35 HA CYS 35 68.413 -3.450 -2.640 257 1HB CYS 35 1HB CYS 35 70.561 -3.064 -1.417 258 2HB CYS 35 2HB CYS 35 70.673 -4.394 -2.570 259 HG CYS 35 HG CYS 35 72.729 -2.940 -3.088 260 H ILE 36 H ILE 36 68.452 -1.608 -1.021 261 HA ILE 36 HA ILE 36 68.585 1.043 -2.423 262 HB ILE 36 HB ILE 36 66.708 0.043 -0.255 263 1HG1 ILE 36 1HG1 ILE 36 65.623 0.892 -2.853 264 2HG1 ILE 36 2HG1 ILE 36 66.661 -0.531 -2.956 265 1HG2 ILE 36 1HG2 ILE 36 67.212 2.707 -1.502 266 2HG2 ILE 36 2HG2 ILE 36 65.531 2.261 -1.200 267 3HG2 ILE 36 3HG2 ILE 36 66.683 2.313 0.134 268 1HD1 ILE 36 1HD1 ILE 36 64.478 -0.300 -0.881 269 2HD1 ILE 36 2HD1 ILE 36 64.168 -0.954 -2.489 270 3HD1 ILE 36 3HD1 ILE 36 65.322 -1.753 -1.420 271 H SER 37 H SER 37 69.367 2.802 -1.167 272 HA SER 37 HA SER 37 70.254 2.374 1.618 273 1HB SER 37 1HB SER 37 71.903 1.899 -0.671 274 2HB SER 37 2HB SER 37 72.511 3.320 0.168 275 HG SER 37 HG SER 37 73.436 1.630 1.201 276 H THR 38 H THR 38 68.441 4.148 0.309 277 HA THR 38 HA THR 38 67.818 6.419 0.505 278 HB THR 38 HB THR 38 69.049 7.771 1.947 279 HG1 THR 38 HG1 THR 38 71.112 8.080 1.720 280 1HG2 THR 38 1HG2 THR 38 68.755 5.219 2.737 281 2HG2 THR 38 2HG2 THR 38 70.512 5.341 2.832 282 3HG2 THR 38 3HG2 THR 38 69.500 6.450 3.758 283 H LYS 39 H LYS 39 71.231 6.067 -0.594 284 HA LYS 39 HA LYS 39 71.375 8.231 -2.359 285 1HB LYS 39 1HB LYS 39 72.866 6.003 -1.749 286 2HB LYS 39 2HB LYS 39 72.383 5.656 -3.411 287 1HG LYS 39 1HG LYS 39 73.779 7.226 -4.234 288 2HG LYS 39 2HG LYS 39 73.197 8.435 -3.090 289 1HD LYS 39 1HD LYS 39 74.665 7.540 -1.348 290 2HD LYS 39 2HD LYS 39 75.208 6.262 -2.436 291 1HE LYS 39 1HE LYS 39 75.802 8.333 -4.013 292 2HE LYS 39 2HE LYS 39 75.894 9.177 -2.455 293 1HZ LYS 39 1HZ LYS 39 77.078 6.515 -2.594 294 2HZ LYS 39 2HZ LYS 39 77.909 7.753 -3.404 295 3HZ LYS 39 3HZ LYS 39 77.597 7.889 -1.739 296 H GLU 40 H GLU 40 69.691 5.152 -2.729 297 HA GLU 40 HA GLU 40 68.839 5.772 -5.495 298 1HB GLU 40 1HB GLU 40 68.145 3.508 -3.587 299 2HB GLU 40 2HB GLU 40 67.837 3.529 -5.324 300 1HG GLU 40 1HG GLU 40 69.832 2.386 -5.347 301 2HG GLU 40 2HG GLU 40 70.473 4.030 -5.380 302 H LEU 41 H LEU 41 67.738 6.111 -2.232 303 HA LEU 41 HA LEU 41 64.889 6.316 -2.842 304 1HB LEU 41 1HB LEU 41 66.330 5.655 -0.672 305 2HB LEU 41 2HB LEU 41 66.160 7.381 -0.352 306 HG LEU 41 HG LEU 41 63.701 7.171 -0.601 307 1HD1 LEU 41 1HD1 LEU 41 64.516 4.568 -1.605 308 2HD1 LEU 41 2HD1 LEU 41 63.281 4.427 -0.353 309 3HD1 LEU 41 3HD1 LEU 41 62.973 5.406 -1.788 310 1HD2 LEU 41 1HD2 LEU 41 64.791 6.901 1.628 311 2HD2 LEU 41 2HD2 LEU 41 63.308 5.956 1.490 312 3HD2 LEU 41 3HD2 LEU 41 64.877 5.162 1.348 313 H GLY 42 H GLY 42 64.747 8.631 -0.922 314 1HA GLY 42 1HA GLY 42 64.562 10.953 -0.995 315 2HA GLY 42 2HA GLY 42 66.018 10.942 -1.990 316 H LYS 43 H LYS 43 65.461 10.001 -4.341 317 HA LYS 43 HA LYS 43 64.024 11.854 -5.803 318 1HB LYS 43 1HB LYS 43 64.859 9.029 -6.101 319 2HB LYS 43 2HB LYS 43 63.581 9.541 -7.204 320 1HG LYS 43 1HG LYS 43 65.165 10.505 -8.482 321 2HG LYS 43 2HG LYS 43 65.441 11.657 -7.175 322 1HD LYS 43 1HD LYS 43 67.524 10.807 -7.050 323 2HD LYS 43 2HD LYS 43 66.782 9.384 -6.318 324 1HE LYS 43 1HE LYS 43 67.207 8.117 -8.154 325 2HE LYS 43 2HE LYS 43 66.570 9.366 -9.242 326 1HZ LYS 43 1HZ LYS 43 69.158 9.690 -7.847 327 2HZ LYS 43 2HZ LYS 43 69.059 8.913 -9.351 328 3HZ LYS 43 3HZ LYS 43 68.576 10.534 -9.202 329 H VAL 44 H VAL 44 62.712 8.901 -4.280 330 HA VAL 44 HA VAL 44 59.999 9.388 -5.239 331 HB VAL 44 HB VAL 44 61.275 7.570 -3.177 332 1HG1 VAL 44 1HG1 VAL 44 58.428 8.125 -3.811 333 2HG1 VAL 44 2HG1 VAL 44 58.875 6.422 -3.703 334 3HG1 VAL 44 3HG1 VAL 44 59.150 7.496 -2.331 335 1HG2 VAL 44 1HG2 VAL 44 60.101 7.075 -5.934 336 2HG2 VAL 44 2HG2 VAL 44 61.820 7.119 -5.545 337 3HG2 VAL 44 3HG2 VAL 44 60.799 5.843 -4.883 338 H MET 45 H MET 45 61.902 10.257 -2.412 339 HA MET 45 HA MET 45 59.825 10.852 -0.564 340 1HB MET 45 1HB MET 45 62.494 12.215 -1.050 341 2HB MET 45 2HB MET 45 61.560 12.288 0.445 342 1HG MET 45 1HG MET 45 62.709 9.770 -0.804 343 2HG MET 45 2HG MET 45 63.334 10.591 0.626 344 1HE MET 45 1HE MET 45 61.032 8.645 -1.150 345 2HE MET 45 2HE MET 45 60.320 7.540 0.022 346 3HE MET 45 3HE MET 45 59.471 9.025 -0.427 347 H ARG 46 H ARG 46 61.635 13.307 -2.447 348 HA ARG 46 HA ARG 46 59.963 15.494 -2.067 349 1HB ARG 46 1HB ARG 46 60.811 16.149 -4.391 350 2HB ARG 46 2HB ARG 46 62.053 15.684 -3.228 351 1HG ARG 46 1HG ARG 46 62.436 13.624 -4.252 352 2HG ARG 46 2HG ARG 46 60.840 13.590 -5.005 353 1HD ARG 46 1HD ARG 46 62.453 15.888 -5.875 354 2HD ARG 46 2HD ARG 46 63.174 14.323 -6.301 355 HE ARG 46 HE ARG 46 60.872 13.727 -7.236 356 1HH1 ARG 46 1HH1 ARG 46 62.576 16.486 -7.962 357 2HH1 ARG 46 2HH1 ARG 46 61.258 17.340 -8.690 358 1HH2 ARG 46 1HH2 ARG 46 58.867 15.038 -7.692 359 2HH2 ARG 46 2HH2 ARG 46 59.158 16.521 -8.538 360 H MET 47 H MET 47 59.347 12.659 -4.031 361 HA MET 47 HA MET 47 57.181 13.839 -5.589 362 1HB MET 47 1HB MET 47 58.449 11.175 -5.136 363 2HB MET 47 2HB MET 47 56.818 11.187 -5.808 364 1HG MET 47 1HG MET 47 57.812 13.028 -7.411 365 2HG MET 47 2HG MET 47 59.353 12.291 -6.974 366 1HE MET 47 1HE MET 47 58.377 9.470 -6.251 367 2HE MET 47 2HE MET 47 58.568 8.510 -7.725 368 3HE MET 47 3HE MET 47 59.832 9.632 -7.232 369 H LEU 48 H LEU 48 57.425 11.916 -2.606 370 HA LEU 48 HA LEU 48 54.575 11.501 -2.295 371 1HB LEU 48 1HB LEU 48 56.915 11.488 -0.359 372 2HB LEU 48 2HB LEU 48 55.303 10.889 0.028 373 HG LEU 48 HG LEU 48 57.256 9.796 -2.001 374 1HD1 LEU 48 1HD1 LEU 48 56.548 9.147 0.671 375 2HD1 LEU 48 2HD1 LEU 48 55.885 7.876 -0.356 376 3HD1 LEU 48 3HD1 LEU 48 57.609 8.245 -0.409 377 1HD2 LEU 48 1HD2 LEU 48 54.274 9.362 -1.743 378 2HD2 LEU 48 2HD2 LEU 48 55.190 9.785 -3.189 379 3HD2 LEU 48 3HD2 LEU 48 55.329 8.168 -2.499 380 H GLY 49 H GLY 49 56.633 14.209 -1.854 381 1HA GLY 49 1HA GLY 49 55.573 16.409 -1.488 382 2HA GLY 49 2HA GLY 49 54.454 15.620 -0.374 383 H GLN 50 H GLN 50 57.690 14.517 -0.194 384 HA GLN 50 HA GLN 50 58.370 16.404 2.011 385 1HB GLN 50 1HB GLN 50 57.202 14.631 3.127 386 2HB GLN 50 2HB GLN 50 58.017 13.399 2.164 387 1HG GLN 50 1HG GLN 50 60.205 14.276 3.199 388 2HG GLN 50 2HG GLN 50 59.179 15.122 4.357 389 1HE2 GLN 50 2HE2 GLN 50 57.181 13.314 4.934 390 2HE2 GLN 50 1HE2 GLN 50 57.831 11.877 5.562 391 H ASN 51 H ASN 51 60.673 16.316 2.547 392 HA ASN 51 HA ASN 51 62.383 14.781 0.636 393 1HB ASN 51 1HB ASN 51 61.746 17.305 0.106 394 2HB ASN 51 2HB ASN 51 63.003 17.642 1.297 395 1HD2 ASN 51 2HD2 ASN 51 63.788 18.541 -1.071 396 2HD2 ASN 51 1HD2 ASN 51 64.835 17.477 -1.879 397 HA PRO 52 HA PRO 52 63.998 14.541 4.915 398 1HB PRO 52 1HB PRO 52 64.599 11.877 4.825 399 2HB PRO 52 2HB PRO 52 62.985 12.489 5.235 400 1HG PRO 52 1HG PRO 52 63.969 11.290 2.713 401 2HG PRO 52 2HG PRO 52 62.362 11.219 3.450 402 1HD PRO 52 1HD PRO 52 63.091 12.850 1.324 403 2HD PRO 52 2HD PRO 52 61.661 13.075 2.356 404 H THR 53 H THR 53 66.116 15.145 5.184 405 HA THR 53 HA THR 53 68.083 15.202 3.173 406 HB THR 53 HB THR 53 69.485 15.002 5.546 407 HG1 THR 53 HG1 THR 53 68.185 15.650 7.155 408 1HG2 THR 53 1HG2 THR 53 68.505 17.029 3.780 409 2HG2 THR 53 2HG2 THR 53 68.311 17.595 5.439 410 3HG2 THR 53 3HG2 THR 53 69.900 17.098 4.857 411 HA PRO 54 HA PRO 54 69.861 11.193 2.973 412 1HB PRO 54 1HB PRO 54 72.553 11.616 3.237 413 2HB PRO 54 2HB PRO 54 71.642 12.073 1.783 414 1HG PRO 54 1HG PRO 54 72.556 13.768 4.055 415 2HG PRO 54 2HG PRO 54 72.513 14.130 2.323 416 1HD PRO 54 1HD PRO 54 70.658 15.051 4.090 417 2HD PRO 54 2HD PRO 54 70.310 14.754 2.373 418 H GLU 55 H GLU 55 70.436 13.099 5.802 419 HA GLU 55 HA GLU 55 71.716 10.968 7.363 420 1HB GLU 55 1HB GLU 55 70.406 13.558 8.247 421 2HB GLU 55 2HB GLU 55 71.633 12.638 9.120 422 1HG GLU 55 1HG GLU 55 73.329 13.213 7.582 423 2HG GLU 55 2HG GLU 55 72.167 13.692 6.345 424 H GLU 56 H GLU 56 68.461 12.280 6.904 425 HA GLU 56 HA GLU 56 67.328 10.658 9.087 426 1HB GLU 56 1HB GLU 56 66.549 12.838 7.262 427 2HB GLU 56 2HB GLU 56 65.248 11.697 7.608 428 1HG GLU 56 1HG GLU 56 65.305 12.130 9.911 429 2HG GLU 56 2HG GLU 56 66.946 12.772 9.847 430 H LEU 57 H LEU 57 68.034 10.251 5.739 431 HA LEU 57 HA LEU 57 65.909 8.479 4.967 432 1HB LEU 57 1HB LEU 57 68.727 9.066 4.094 433 2HB LEU 57 2HB LEU 57 67.861 7.712 3.369 434 HG LEU 57 HG LEU 57 66.594 10.443 3.535 435 1HD1 LEU 57 1HD1 LEU 57 68.907 9.657 1.965 436 2HD1 LEU 57 2HD1 LEU 57 67.547 10.068 0.920 437 3HD1 LEU 57 3HD1 LEU 57 68.138 11.240 2.098 438 1HD2 LEU 57 1HD2 LEU 57 66.271 8.068 1.668 439 2HD2 LEU 57 2HD2 LEU 57 65.166 8.508 2.974 440 3HD2 LEU 57 3HD2 LEU 57 65.348 9.571 1.571 441 H GLN 58 H GLN 58 69.199 7.824 6.240 442 HA GLN 58 HA GLN 58 69.296 5.063 6.257 443 1HB GLN 58 1HB GLN 58 70.528 7.231 7.576 444 2HB GLN 58 2HB GLN 58 70.049 6.115 8.854 445 1HG GLN 58 1HG GLN 58 71.549 5.257 6.365 446 2HG GLN 58 2HG GLN 58 72.342 5.666 7.888 447 1HE2 GLN 58 2HE2 GLN 58 71.273 3.034 6.172 448 2HE2 GLN 58 1HE2 GLN 58 70.949 1.971 7.454 449 H GLU 59 H GLU 59 67.505 7.118 8.563 450 HA GLU 59 HA GLU 59 66.581 5.097 10.323 451 1HB GLU 59 1HB GLU 59 66.329 7.466 10.775 452 2HB GLU 59 2HB GLU 59 65.345 7.683 9.326 453 1HG GLU 59 1HG GLU 59 63.479 7.104 10.442 454 2HG GLU 59 2HG GLU 59 64.221 5.594 10.972 455 H MET 60 H MET 60 65.244 6.244 7.222 456 HA MET 60 HA MET 60 62.834 4.719 7.229 457 1HB MET 60 1HB MET 60 64.650 5.995 5.208 458 2HB MET 60 2HB MET 60 63.380 4.920 4.624 459 1HG MET 60 1HG MET 60 61.688 6.241 5.824 460 2HG MET 60 2HG MET 60 62.949 7.303 6.451 461 1HE MET 60 1HE MET 60 60.321 7.068 4.681 462 2HE MET 60 2HE MET 60 60.475 8.804 4.370 463 3HE MET 60 3HE MET 60 60.435 7.664 3.028 464 H ILE 61 H ILE 61 66.153 3.879 6.327 465 HA ILE 61 HA ILE 61 65.372 1.218 5.325 466 HB ILE 61 HB ILE 61 67.947 2.758 5.723 467 1HG1 ILE 61 1HG1 ILE 61 67.912 2.396 3.155 468 2HG1 ILE 61 2HG1 ILE 61 66.218 1.962 3.382 469 1HG2 ILE 61 1HG2 ILE 61 67.549 -0.110 5.423 470 2HG2 ILE 61 2HG2 ILE 61 68.477 0.558 4.080 471 3HG2 ILE 61 3HG2 ILE 61 69.036 0.783 5.737 472 1HD1 ILE 61 1HD1 ILE 61 67.153 4.461 4.703 473 2HD1 ILE 61 2HD1 ILE 61 66.998 4.497 2.947 474 3HD1 ILE 61 3HD1 ILE 61 65.601 4.102 3.946 475 H ASP 62 H ASP 62 66.512 2.672 8.293 476 HA ASP 62 HA ASP 62 67.570 0.246 9.492 477 1HB ASP 62 1HB ASP 62 68.001 2.748 10.009 478 2HB ASP 62 2HB ASP 62 66.497 2.677 10.928 479 H GLU 63 H GLU 63 64.382 1.554 9.061 480 HA GLU 63 HA GLU 63 63.079 0.335 11.320 481 1HB GLU 63 1HB GLU 63 62.452 2.105 9.333 482 2HB GLU 63 2HB GLU 63 61.583 0.670 8.790 483 1HG GLU 63 1HG GLU 63 59.963 1.283 10.244 484 2HG GLU 63 2HG GLU 63 61.058 0.726 11.511 485 H VAL 64 H VAL 64 64.438 -1.016 8.482 486 HA VAL 64 HA VAL 64 63.147 -3.629 9.104 487 HB VAL 64 HB VAL 64 62.792 -3.854 6.578 488 1HG1 VAL 64 1HG1 VAL 64 60.966 -3.373 8.206 489 2HG1 VAL 64 2HG1 VAL 64 61.270 -1.648 8.001 490 3HG1 VAL 64 3HG1 VAL 64 60.686 -2.608 6.642 491 1HG2 VAL 64 1HG2 VAL 64 64.305 -1.573 6.471 492 2HG2 VAL 64 2HG2 VAL 64 63.223 -2.102 5.182 493 3HG2 VAL 64 3HG2 VAL 64 62.676 -0.908 6.358 494 H ASP 65 H ASP 65 65.929 -2.332 9.258 495 HA ASP 65 HA ASP 65 67.498 -3.849 7.273 496 1HB ASP 65 1HB ASP 65 67.860 -1.471 8.366 497 2HB ASP 65 2HB ASP 65 68.611 -2.405 9.661 498 H GLU 66 H GLU 66 67.289 -6.064 7.781 499 HA GLU 66 HA GLU 66 68.032 -6.888 10.567 500 1HB GLU 66 1HB GLU 66 66.858 -9.017 9.839 501 2HB GLU 66 2HB GLU 66 65.821 -7.590 9.884 502 1HG GLU 66 1HG GLU 66 65.638 -7.476 7.593 503 2HG GLU 66 2HG GLU 66 67.243 -8.157 7.325 504 H ASP 67 H ASP 67 70.104 -6.171 8.719 505 HA ASP 67 HA ASP 67 71.490 -8.792 8.498 506 1HB ASP 67 1HB ASP 67 72.077 -8.247 6.129 507 2HB ASP 67 2HB ASP 67 70.340 -8.449 6.360 508 H GLY 68 H GLY 68 71.610 -5.918 9.833 509 1HA GLY 68 1HA GLY 68 73.287 -4.349 10.368 510 2HA GLY 68 2HA GLY 68 74.325 -5.775 10.389 511 H SER 69 H SER 69 72.690 -4.752 7.463 512 HA SER 69 HA SER 69 75.348 -4.288 6.206 513 1HB SER 69 1HB SER 69 74.085 -4.617 4.138 514 2HB SER 69 2HB SER 69 73.674 -5.896 5.275 515 HG SER 69 HG SER 69 72.051 -4.185 4.099 516 H GLY 70 H GLY 70 72.101 -2.755 6.208 517 1HA GLY 70 1HA GLY 70 72.031 -0.308 6.788 518 2HA GLY 70 2HA GLY 70 73.483 -0.129 5.804 519 H THR 71 H THR 71 72.134 -2.247 3.957 520 HA THR 71 HA THR 71 70.589 -0.229 2.385 521 HB THR 71 HB THR 71 71.128 -1.799 0.514 522 HG1 THR 71 HG1 THR 71 71.228 -3.696 1.750 523 1HG2 THR 71 1HG2 THR 71 73.054 -0.354 2.175 524 2HG2 THR 71 2HG2 THR 71 73.803 -1.632 1.220 525 3HG2 THR 71 3HG2 THR 71 72.872 -0.365 0.421 526 H VAL 72 H VAL 72 68.794 -1.354 0.995 527 HA VAL 72 HA VAL 72 67.366 -3.395 2.664 528 HB VAL 72 HB VAL 72 66.408 -0.838 1.363 529 1HG1 VAL 72 1HG1 VAL 72 64.876 -2.828 0.923 530 2HG1 VAL 72 2HG1 VAL 72 64.654 -2.931 2.669 531 3HG1 VAL 72 3HG1 VAL 72 64.142 -1.485 1.798 532 1HG2 VAL 72 1HG2 VAL 72 67.414 -1.035 3.760 533 2HG2 VAL 72 2HG2 VAL 72 65.898 -0.158 3.554 534 3HG2 VAL 72 3HG2 VAL 72 65.884 -1.814 4.163 535 H ASP 73 H ASP 73 66.274 -4.992 1.492 536 HA ASP 73 HA ASP 73 66.534 -4.875 -1.497 537 1HB ASP 73 1HB ASP 73 67.683 -6.629 0.409 538 2HB ASP 73 2HB ASP 73 66.419 -7.551 -0.403 539 H PHE 74 H PHE 74 64.985 -6.895 -2.297 540 HA PHE 74 HA PHE 74 62.294 -6.027 -1.860 541 1HB PHE 74 1HB PHE 74 63.067 -7.192 -3.869 542 2HB PHE 74 2HB PHE 74 63.467 -8.621 -2.916 543 HD1 PHE 74 HD1 PHE 74 60.553 -6.315 -3.475 544 HD2 PHE 74 HD2 PHE 74 61.907 -10.346 -2.868 545 HE1 PHE 74 HE1 PHE 74 58.225 -7.135 -3.722 546 HE2 PHE 74 HE2 PHE 74 59.580 -11.165 -3.116 547 HZ PHE 74 HZ PHE 74 57.739 -9.560 -3.542 548 H ASP 75 H ASP 75 64.353 -7.924 0.091 549 HA ASP 75 HA ASP 75 62.216 -9.534 1.330 550 1HB ASP 75 1HB ASP 75 65.040 -9.587 1.052 551 2HB ASP 75 2HB ASP 75 64.715 -9.436 2.778 552 H GLU 76 H GLU 76 64.473 -6.961 2.406 553 HA GLU 76 HA GLU 76 63.032 -6.559 4.919 554 1HB GLU 76 1HB GLU 76 65.170 -4.953 3.476 555 2HB GLU 76 2HB GLU 76 64.702 -4.742 5.163 556 1HG GLU 76 1HG GLU 76 65.509 -6.910 5.761 557 2HG GLU 76 2HG GLU 76 65.675 -7.389 4.071 558 H PHE 77 H PHE 77 63.131 -5.032 1.729 559 HA PHE 77 HA PHE 77 61.839 -2.586 2.246 560 1HB PHE 77 1HB PHE 77 62.739 -3.064 0.088 561 2HB PHE 77 2HB PHE 77 61.785 -4.539 -0.063 562 HD1 PHE 77 HD1 PHE 77 59.374 -4.446 -0.533 563 HD2 PHE 77 HD2 PHE 77 61.749 -0.874 -0.289 564 HE1 PHE 77 HE1 PHE 77 57.546 -3.156 -1.604 565 HE2 PHE 77 HE2 PHE 77 59.920 0.414 -1.361 566 HZ PHE 77 HZ PHE 77 57.818 -0.727 -2.017 567 H LEU 78 H LEU 78 60.382 -5.797 1.644 568 HA LEU 78 HA LEU 78 57.652 -5.031 1.634 569 1HB LEU 78 1HB LEU 78 59.190 -7.496 2.458 570 2HB LEU 78 2HB LEU 78 57.431 -7.453 2.565 571 HG LEU 78 HG LEU 78 59.067 -6.937 0.065 572 1HD1 LEU 78 1HD1 LEU 78 58.196 -9.349 1.284 573 2HD1 LEU 78 2HD1 LEU 78 57.149 -9.078 -0.109 574 3HD1 LEU 78 3HD1 LEU 78 58.899 -9.148 -0.322 575 1HD2 LEU 78 1HD2 LEU 78 56.341 -6.264 0.813 576 2HD2 LEU 78 2HD2 LEU 78 57.226 -5.844 -0.653 577 3HD2 LEU 78 3HD2 LEU 78 56.360 -7.376 -0.555 578 H VAL 79 H VAL 79 59.670 -6.104 4.398 579 HA VAL 79 HA VAL 79 57.779 -5.891 6.465 580 HB VAL 79 HB VAL 79 60.733 -5.182 6.422 581 1HG1 VAL 79 1HG1 VAL 79 59.099 -4.600 8.461 582 2HG1 VAL 79 2HG1 VAL 79 59.356 -6.306 8.820 583 3HG1 VAL 79 3HG1 VAL 79 60.733 -5.207 8.729 584 1HG2 VAL 79 1HG2 VAL 79 59.261 -7.782 6.970 585 2HG2 VAL 79 2HG2 VAL 79 60.279 -7.436 5.571 586 3HG2 VAL 79 3HG2 VAL 79 60.997 -7.543 7.177 587 H MET 80 H MET 80 59.378 -3.366 4.647 588 HA MET 80 HA MET 80 58.919 -1.196 6.506 589 1HB MET 80 1HB MET 80 60.420 -1.563 4.312 590 2HB MET 80 2HB MET 80 59.034 -0.785 3.547 591 1HG MET 80 1HG MET 80 59.680 0.629 5.965 592 2HG MET 80 2HG MET 80 61.140 0.461 4.989 593 1HE MET 80 1HE MET 80 60.361 0.017 2.448 594 2HE MET 80 2HE MET 80 59.500 1.235 1.508 595 3HE MET 80 3HE MET 80 61.114 1.585 2.122 596 H MET 81 H MET 81 56.932 -2.856 4.164 597 HA MET 81 HA MET 81 54.863 -0.708 4.286 598 1HB MET 81 1HB MET 81 55.052 -3.222 2.595 599 2HB MET 81 2HB MET 81 53.946 -1.870 2.344 600 1HG MET 81 1HG MET 81 56.788 -1.099 2.507 601 2HG MET 81 2HG MET 81 56.389 -2.115 1.123 602 1HE MET 81 1HE MET 81 57.524 0.512 0.493 603 2HE MET 81 2HE MET 81 56.507 1.950 0.468 604 3HE MET 81 3HE MET 81 57.028 1.258 2.010 605 H VAL 82 H VAL 82 55.687 -3.607 5.816 606 HA VAL 82 HA VAL 82 52.916 -4.546 6.238 607 HB VAL 82 HB VAL 82 55.522 -5.467 7.487 608 1HG1 VAL 82 1HG1 VAL 82 53.005 -6.204 8.132 609 2HG1 VAL 82 2HG1 VAL 82 53.291 -7.305 6.783 610 3HG1 VAL 82 3HG1 VAL 82 54.366 -7.325 8.181 611 1HG2 VAL 82 1HG2 VAL 82 54.618 -5.570 4.727 612 2HG2 VAL 82 2HG2 VAL 82 56.165 -6.068 5.409 613 3HG2 VAL 82 3HG2 VAL 82 54.808 -7.193 5.390 614 H ARG 83 H ARG 83 55.565 -3.069 8.117 615 HA ARG 83 HA ARG 83 54.550 -3.101 10.704 616 1HB ARG 83 1HB ARG 83 56.165 -1.230 9.034 617 2HB ARG 83 2HB ARG 83 55.598 -0.623 10.590 618 1HG ARG 83 1HG ARG 83 56.534 -2.730 11.642 619 2HG ARG 83 2HG ARG 83 57.283 -3.089 10.086 620 1HD ARG 83 1HD ARG 83 58.960 -1.614 10.481 621 2HD ARG 83 2HD ARG 83 57.806 -0.336 10.916 622 HE ARG 83 HE ARG 83 59.253 -1.888 12.811 623 1HH1 ARG 83 1HH1 ARG 83 56.968 0.423 12.785 624 2HH1 ARG 83 2HH1 ARG 83 56.017 -0.178 14.103 625 1HH2 ARG 83 1HH2 ARG 83 57.633 -3.243 14.218 626 2HH2 ARG 83 2HH2 ARG 83 56.397 -2.251 14.917 627 H CYS 84 H CYS 84 53.519 -1.023 8.011 628 HA CYS 84 HA CYS 84 51.575 0.396 9.742 629 1HB CYS 84 1HB CYS 84 51.228 1.716 7.685 630 2HB CYS 84 2HB CYS 84 52.951 1.562 8.031 631 HG CYS 84 HG CYS 84 53.051 0.700 5.698 632 H MET 85 H MET 85 51.100 -2.425 9.468 633 HA MET 85 HA MET 85 48.957 -2.734 7.450 634 1HB MET 85 1HB MET 85 50.517 -4.442 9.356 635 2HB MET 85 2HB MET 85 48.968 -5.047 8.769 636 1HG MET 85 1HG MET 85 51.092 -3.982 6.900 637 2HG MET 85 2HG MET 85 51.022 -5.678 7.378 638 1HE MET 85 1HE MET 85 51.206 -4.631 4.822 639 2HE MET 85 2HE MET 85 50.369 -6.043 4.162 640 3HE MET 85 3HE MET 85 49.803 -4.419 3.778 641 H LYS 86 H LYS 86 48.816 -0.964 10.006 642 HA LYS 86 HA LYS 86 46.287 -2.163 11.093 643 1HB LYS 86 1HB LYS 86 48.139 -2.195 12.694 644 2HB LYS 86 2HB LYS 86 48.440 -0.480 12.414 645 1HG LYS 86 1HG LYS 86 46.742 0.158 13.774 646 2HG LYS 86 2HG LYS 86 45.656 -1.082 13.143 647 1HD LYS 86 1HD LYS 86 47.731 -2.398 14.597 648 2HD LYS 86 2HD LYS 86 47.106 -1.095 15.608 649 1HE LYS 86 1HE LYS 86 44.856 -2.336 14.370 650 2HE LYS 86 2HE LYS 86 45.874 -3.624 15.041 651 1HZ LYS 86 1HZ LYS 86 46.028 -2.376 17.109 652 2HZ LYS 86 2HZ LYS 86 45.029 -1.162 16.475 653 3HZ LYS 86 3HZ LYS 86 44.405 -2.720 16.740 654 H ASP 87 H ASP 87 44.753 -0.978 9.920 655 HA ASP 87 HA ASP 87 44.944 2.012 10.122 656 1HB ASP 87 1HB ASP 87 43.650 1.873 7.896 657 2HB ASP 87 2HB ASP 87 45.351 1.407 7.854 658 H ASP 88 H ASP 88 43.654 0.839 12.187 659 HA ASP 88 HA ASP 88 41.572 0.818 13.307 660 1HB ASP 88 1HB ASP 88 41.587 3.043 12.016 661 2HB ASP 88 2HB ASP 88 40.563 2.235 10.829 662 H SER 89 H SER 89 40.115 -0.857 13.451 663 HA SER 89 HA SER 89 39.880 -2.862 11.436 664 1HB SER 89 1HB SER 89 38.213 -2.112 13.852 665 2HB SER 89 2HB SER 89 37.959 -3.592 12.932 666 HG SER 89 HG SER 89 40.295 -2.767 14.319 667 1H ARG 1 1H ARG 1 57.372 3.658 7.366 668 2H ARG 1 2H ARG 1 56.965 2.708 8.715 669 3H ARG 1 3H ARG 1 57.209 1.978 7.200 670 HA ARG 1 HA ARG 1 54.951 2.044 7.119 671 1HB ARG 1 1HB ARG 1 53.705 3.639 8.522 672 2HB ARG 1 2HB ARG 1 54.971 2.860 9.471 673 1HG ARG 1 1HG ARG 1 56.365 4.976 8.544 674 2HG ARG 1 2HG ARG 1 54.750 5.684 8.570 675 1HD ARG 1 1HD ARG 1 56.080 4.290 10.925 676 2HD ARG 1 2HD ARG 1 55.882 6.046 10.742 677 HE ARG 1 HE ARG 1 53.736 4.129 11.346 678 1HH1 ARG 1 1HH1 ARG 1 54.565 7.134 9.875 679 2HH1 ARG 1 2HH1 ARG 1 53.057 7.891 10.265 680 1HH2 ARG 1 1HH2 ARG 1 51.804 5.140 11.960 681 2HH2 ARG 1 2HH2 ARG 1 51.495 6.764 11.442 682 H ILE 2 H ILE 2 55.406 2.561 4.856 683 HA ILE 2 HA ILE 2 55.326 5.453 4.130 684 HB ILE 2 HB ILE 2 55.877 2.931 2.531 685 1HG1 ILE 2 1HG1 ILE 2 57.554 3.411 4.307 686 2HG1 ILE 2 2HG1 ILE 2 58.231 3.619 2.690 687 1HG2 ILE 2 1HG2 ILE 2 55.935 5.872 1.871 688 2HG2 ILE 2 2HG2 ILE 2 56.954 4.731 0.995 689 3HG2 ILE 2 3HG2 ILE 2 55.200 4.553 0.961 690 1HD1 ILE 2 1HD1 ILE 2 57.538 6.102 2.940 691 2HD1 ILE 2 2HD1 ILE 2 57.395 5.744 4.660 692 3HD1 ILE 2 3HD1 ILE 2 58.946 5.550 3.845 693 H SER 3 H SER 3 53.002 3.504 4.960 694 HA SER 3 HA SER 3 50.764 3.138 4.284 695 1HB SER 3 1HB SER 3 50.564 5.481 4.450 696 2HB SER 3 2HB SER 3 51.634 5.762 3.081 697 HG SER 3 HG SER 3 48.931 5.224 3.161 698 H ALA 4 H ALA 4 49.368 3.219 2.050 699 HA ALA 4 HA ALA 4 51.060 1.848 -0.015 700 1HB ALA 4 1HB ALA 4 48.730 1.087 1.478 701 2HB ALA 4 2HB ALA 4 48.299 1.170 -0.230 702 3HB ALA 4 3HB ALA 4 49.626 0.134 0.295 703 H ASP 5 H ASP 5 48.142 3.869 0.452 704 HA ASP 5 HA ASP 5 47.954 4.497 -2.406 705 1HB ASP 5 1HB ASP 5 46.556 5.269 0.149 706 2HB ASP 5 2HB ASP 5 46.209 6.138 -1.347 707 H ALA 6 H ALA 6 48.777 6.338 0.557 708 HA ALA 6 HA ALA 6 49.273 8.868 -0.455 709 1HB ALA 6 1HB ALA 6 49.802 7.415 1.849 710 2HB ALA 6 2HB ALA 6 51.409 7.898 1.304 711 3HB ALA 6 3HB ALA 6 50.176 9.122 1.611 712 H MET 7 H MET 7 51.500 6.072 -0.618 713 HA MET 7 HA MET 7 53.565 7.594 -2.008 714 1HB MET 7 1HB MET 7 53.765 5.539 -0.464 715 2HB MET 7 2HB MET 7 53.254 4.592 -1.861 716 1HG MET 7 1HG MET 7 55.160 5.983 -3.078 717 2HG MET 7 2HG MET 7 55.788 6.129 -1.437 718 1HE MET 7 1HE MET 7 57.320 5.293 -3.390 719 2HE MET 7 2HE MET 7 58.154 3.885 -2.735 720 3HE MET 7 3HE MET 7 57.151 3.729 -4.184 721 H MET 8 H MET 8 51.105 5.187 -2.968 722 HA MET 8 HA MET 8 51.893 5.078 -5.742 723 1HB MET 8 1HB MET 8 49.722 4.151 -3.967 724 2HB MET 8 2HB MET 8 49.241 4.374 -5.650 725 1HG MET 8 1HG MET 8 50.048 2.207 -5.759 726 2HG MET 8 2HG MET 8 51.529 3.098 -6.110 727 1HE MET 8 1HE MET 8 52.938 4.078 -4.388 728 2HE MET 8 2HE MET 8 53.561 3.156 -3.022 729 3HE MET 8 3HE MET 8 53.793 2.553 -4.661 730 H GLN 9 H GLN 9 50.191 7.436 -3.892 731 HA GLN 9 HA GLN 9 48.666 8.533 -6.161 732 1HB GLN 9 1HB GLN 9 49.053 9.040 -3.241 733 2HB GLN 9 2HB GLN 9 48.467 10.382 -4.227 734 1HG GLN 9 1HG GLN 9 47.159 7.760 -4.701 735 2HG GLN 9 2HG GLN 9 46.824 8.519 -3.145 736 1HE2 GLN 9 1HE2 GLN 9 45.041 8.213 -5.600 737 2HE2 GLN 9 2HE2 GLN 9 44.533 9.792 -5.959 738 H ALA 10 H ALA 10 51.584 9.361 -4.290 739 HA ALA 10 HA ALA 10 52.084 11.856 -5.697 740 1HB ALA 10 1HB ALA 10 53.143 10.268 -3.529 741 2HB ALA 10 2HB ALA 10 54.461 10.793 -4.577 742 3HB ALA 10 3HB ALA 10 53.382 11.986 -3.851 743 H LEU 11 H LEU 11 53.731 8.670 -5.772 744 HA LEU 11 HA LEU 11 54.566 9.291 -8.586 745 1HB LEU 11 1HB LEU 11 56.685 8.215 -8.047 746 2HB LEU 11 2HB LEU 11 56.357 9.449 -6.831 747 HG LEU 11 HG LEU 11 55.284 6.747 -6.232 748 1HD1 LEU 11 1HD1 LEU 11 57.539 6.295 -7.253 749 2HD1 LEU 11 2HD1 LEU 11 58.251 7.332 -6.016 750 3HD1 LEU 11 3HD1 LEU 11 57.429 5.842 -5.551 751 1HD2 LEU 11 1HD2 LEU 11 56.528 9.077 -4.808 752 2HD2 LEU 11 2HD2 LEU 11 55.008 8.251 -4.474 753 3HD2 LEU 11 3HD2 LEU 11 56.537 7.498 -4.025 754 H LEU 12 H LEU 12 55.398 7.008 -9.556 755 HA LEU 12 HA LEU 12 54.780 4.839 -10.269 756 1HB LEU 12 1HB LEU 12 53.348 4.697 -7.602 757 2HB LEU 12 2HB LEU 12 54.048 3.367 -8.520 758 HG LEU 12 HG LEU 12 55.831 5.613 -7.628 759 1HD1 LEU 12 1HD1 LEU 12 54.247 4.185 -5.816 760 2HD1 LEU 12 2HD1 LEU 12 55.810 3.369 -5.781 761 3HD1 LEU 12 3HD1 LEU 12 55.709 5.096 -5.439 762 1HD2 LEU 12 1HD2 LEU 12 56.133 2.639 -8.130 763 2HD2 LEU 12 2HD2 LEU 12 56.796 3.956 -9.097 764 3HD2 LEU 12 3HD2 LEU 12 57.420 3.651 -7.476 765 H GLY 13 H GLY 13 53.330 5.760 -11.897 766 1HA GLY 13 1HA GLY 13 50.496 5.129 -11.340 767 2HA GLY 13 2HA GLY 13 50.846 6.788 -11.828 768 H ALA 14 H ALA 14 50.359 7.037 -13.952 769 HA ALA 14 HA ALA 14 51.421 5.033 -15.891 770 1HB ALA 14 1HB ALA 14 48.885 4.854 -15.039 771 2HB ALA 14 2HB ALA 14 48.651 6.085 -16.281 772 3HB ALA 14 3HB ALA 14 49.322 4.513 -16.713 773 H ARG 15 H ARG 15 52.813 7.223 -15.830 774 HA ARG 15 HA ARG 15 51.588 9.362 -17.488 775 1HB ARG 15 1HB ARG 15 53.572 10.598 -16.833 776 2HB ARG 15 2HB ARG 15 52.966 9.759 -15.405 777 1HG ARG 15 1HG ARG 15 54.591 7.935 -15.790 778 2HG ARG 15 2HG ARG 15 55.208 8.791 -17.203 779 1HD ARG 15 1HD ARG 15 56.528 10.091 -15.897 780 2HD ARG 15 2HD ARG 15 55.144 10.551 -14.885 781 HE ARG 15 HE ARG 15 55.537 8.570 -13.520 782 1HH1 ARG 15 1HH1 ARG 15 57.278 8.071 -16.345 783 2HH1 ARG 15 2HH1 ARG 15 58.707 7.474 -15.568 784 1HH2 ARG 15 1HH2 ARG 15 57.611 8.242 -12.370 785 2HH2 ARG 15 2HH2 ARG 15 58.894 7.570 -13.319 786 H ALA 16 H ALA 16 52.085 6.744 -18.720 787 HA ALA 16 HA ALA 16 53.214 5.782 -20.573 788 1HB ALA 16 1HB ALA 16 53.062 8.743 -21.224 789 2HB ALA 16 2HB ALA 16 53.369 7.478 -22.414 790 3HB ALA 16 3HB ALA 16 51.826 7.532 -21.564 791 H LYS 17 H LYS 17 54.993 6.414 -18.374 792 HA LYS 17 HA LYS 17 57.321 6.541 -17.984 793 1HB LYS 17 1HB LYS 17 57.079 5.041 -20.085 794 2HB LYS 17 2HB LYS 17 57.592 6.465 -20.991 795 1HG LYS 17 1HG LYS 17 59.572 5.175 -20.500 796 2HG LYS 17 2HG LYS 17 59.602 6.605 -19.467 797 1HD LYS 17 1HD LYS 17 59.869 5.178 -17.736 798 2HD LYS 17 2HD LYS 17 58.170 4.762 -17.963 799 1HE LYS 17 1HE LYS 17 58.659 2.766 -19.027 800 2HE LYS 17 2HE LYS 17 60.173 3.387 -19.714 801 1HZ LYS 17 1HZ LYS 17 61.108 3.447 -17.472 802 2HZ LYS 17 2HZ LYS 17 59.673 2.788 -16.844 803 3HZ LYS 17 3HZ LYS 17 60.643 1.872 -17.897 Start of MODEL 12 1 1H MET 1 1H MET 1 58.018 -11.183 19.374 2 2H MET 1 2H MET 1 59.337 -11.831 20.225 3 3H MET 1 3H MET 1 58.438 -10.551 20.890 4 HA MET 1 HA MET 1 59.279 -8.995 19.355 5 1HB MET 1 1HB MET 1 60.823 -10.564 21.091 6 2HB MET 1 2HB MET 1 61.796 -10.433 19.625 7 1HG MET 1 1HG MET 1 62.073 -8.168 19.845 8 2HG MET 1 2HG MET 1 60.481 -7.938 20.569 9 1HE MET 1 1HE MET 1 63.191 -6.759 21.015 10 2HE MET 1 2HE MET 1 63.711 -6.814 22.705 11 3HE MET 1 3HE MET 1 64.351 -7.974 21.544 12 H ASP 2 H ASP 2 59.841 -12.343 18.385 13 HA ASP 2 HA ASP 2 60.445 -11.364 15.611 14 1HB ASP 2 1HB ASP 2 61.512 -13.731 17.180 15 2HB ASP 2 2HB ASP 2 61.836 -13.462 15.466 16 H ASP 3 H ASP 3 59.914 -13.164 13.960 17 HA ASP 3 HA ASP 3 58.349 -14.662 13.010 18 1HB ASP 3 1HB ASP 3 59.010 -15.557 15.553 19 2HB ASP 3 2HB ASP 3 57.246 -15.534 15.582 20 H ILE 4 H ILE 4 57.599 -11.879 13.668 21 HA ILE 4 HA ILE 4 54.661 -12.254 14.164 22 HB ILE 4 HB ILE 4 56.625 -10.043 14.805 23 1HG1 ILE 4 1HG1 ILE 4 54.693 -11.699 16.461 24 2HG1 ILE 4 2HG1 ILE 4 56.449 -11.866 16.435 25 1HG2 ILE 4 1HG2 ILE 4 53.594 -9.978 14.915 26 2HG2 ILE 4 2HG2 ILE 4 54.649 -8.768 15.642 27 3HG2 ILE 4 3HG2 ILE 4 54.625 -8.977 13.892 28 1HD1 ILE 4 1HD1 ILE 4 56.147 -9.188 16.970 29 2HD1 ILE 4 2HD1 ILE 4 54.775 -9.887 17.830 30 3HD1 ILE 4 3HD1 ILE 4 56.413 -10.431 18.193 31 H TYR 5 H TYR 5 57.037 -10.217 12.414 32 HA TYR 5 HA TYR 5 54.983 -9.203 10.579 33 1HB TYR 5 1HB TYR 5 58.008 -9.008 10.706 34 2HB TYR 5 2HB TYR 5 57.007 -8.108 9.566 35 HD1 TYR 5 HD1 TYR 5 55.130 -6.623 10.535 36 HD2 TYR 5 HD2 TYR 5 58.375 -8.181 12.881 37 HE1 TYR 5 HE1 TYR 5 54.708 -4.896 12.266 38 HE2 TYR 5 HE2 TYR 5 57.953 -6.455 14.611 39 HH TYR 5 HH TYR 5 55.122 -4.563 14.667 40 H LYS 6 H LYS 6 57.860 -11.326 10.275 41 HA LYS 6 HA LYS 6 57.806 -11.979 7.586 42 1HB LYS 6 1HB LYS 6 58.859 -14.041 8.266 43 2HB LYS 6 2HB LYS 6 59.323 -12.812 9.440 44 1HG LYS 6 1HG LYS 6 57.804 -13.633 11.068 45 2HG LYS 6 2HG LYS 6 56.924 -14.594 9.880 46 1HD LYS 6 1HD LYS 6 59.441 -15.616 9.604 47 2HD LYS 6 2HD LYS 6 59.424 -15.217 11.322 48 1HE LYS 6 1HE LYS 6 58.359 -17.220 11.582 49 2HE LYS 6 2HE LYS 6 56.933 -16.387 10.935 50 1HZ LYS 6 1HZ LYS 6 57.962 -16.859 8.671 51 2HZ LYS 6 2HZ LYS 6 58.943 -17.992 9.475 52 3HZ LYS 6 3HZ LYS 6 57.253 -18.169 9.483 53 H ALA 7 H ALA 7 55.453 -12.877 10.026 54 HA ALA 7 HA ALA 7 54.172 -14.992 8.517 55 1HB ALA 7 1HB ALA 7 53.679 -13.337 10.950 56 2HB ALA 7 2HB ALA 7 52.289 -14.164 10.247 57 3HB ALA 7 3HB ALA 7 53.695 -15.092 10.774 58 H ALA 8 H ALA 8 53.557 -11.497 8.904 59 HA ALA 8 HA ALA 8 51.113 -11.393 7.418 60 1HB ALA 8 1HB ALA 8 53.191 -9.583 8.466 61 2HB ALA 8 2HB ALA 8 52.352 -8.959 7.046 62 3HB ALA 8 3HB ALA 8 51.437 -9.405 8.486 63 H VAL 9 H VAL 9 54.352 -11.948 6.400 64 HA VAL 9 HA VAL 9 54.085 -10.839 3.706 65 HB VAL 9 HB VAL 9 56.036 -12.873 4.830 66 1HG1 VAL 9 1HG1 VAL 9 55.717 -11.879 2.251 67 2HG1 VAL 9 2HG1 VAL 9 56.994 -10.868 2.929 68 3HG1 VAL 9 3HG1 VAL 9 57.180 -12.622 2.896 69 1HG2 VAL 9 1HG2 VAL 9 55.555 -10.192 5.656 70 2HG2 VAL 9 2HG2 VAL 9 56.883 -11.248 6.138 71 3HG2 VAL 9 3HG2 VAL 9 57.060 -10.191 4.738 72 H GLU 10 H GLU 10 54.257 -14.168 5.024 73 HA GLU 10 HA GLU 10 53.823 -15.630 2.676 74 1HB GLU 10 1HB GLU 10 53.477 -15.939 5.572 75 2HB GLU 10 2HB GLU 10 52.379 -16.960 4.640 76 1HG GLU 10 1HG GLU 10 55.148 -16.893 3.620 77 2HG GLU 10 2HG GLU 10 54.974 -17.619 5.218 78 H GLN 11 H GLN 11 51.594 -13.558 4.362 79 HA GLN 11 HA GLN 11 49.205 -14.737 3.080 80 1HB GLN 11 1HB GLN 11 49.898 -12.790 5.202 81 2HB GLN 11 2HB GLN 11 48.418 -12.430 4.312 82 1HG GLN 11 1HG GLN 11 47.693 -13.822 6.080 83 2HG GLN 11 2HG GLN 11 47.813 -14.914 4.700 84 1HE2 GLN 11 2HE2 GLN 11 49.413 -13.952 7.729 85 2HE2 GLN 11 1HE2 GLN 11 50.417 -15.317 7.830 86 H LEU 12 H LEU 12 51.540 -13.183 1.650 87 HA LEU 12 HA LEU 12 50.247 -10.798 0.574 88 1HB LEU 12 1HB LEU 12 52.743 -12.404 0.089 89 2HB LEU 12 2HB LEU 12 52.286 -11.142 -1.055 90 HG LEU 12 HG LEU 12 52.427 -10.627 1.919 91 1HD1 LEU 12 1HD1 LEU 12 54.620 -11.438 0.605 92 2HD1 LEU 12 2HD1 LEU 12 54.627 -9.746 0.108 93 3HD1 LEU 12 3HD1 LEU 12 54.680 -10.161 1.821 94 1HD2 LEU 12 1HD2 LEU 12 51.996 -9.060 -0.568 95 2HD2 LEU 12 2HD2 LEU 12 51.378 -8.779 1.059 96 3HD2 LEU 12 3HD2 LEU 12 53.028 -8.307 0.649 97 H THR 13 H THR 13 49.094 -10.635 -1.350 98 HA THR 13 HA THR 13 48.289 -13.176 -2.656 99 HB THR 13 HB THR 13 46.778 -11.321 -3.827 100 HG1 THR 13 HG1 THR 13 46.863 -9.437 -2.900 101 1HG2 THR 13 1HG2 THR 13 46.213 -13.140 -2.069 102 2HG2 THR 13 2HG2 THR 13 46.314 -11.829 -0.893 103 3HG2 THR 13 3HG2 THR 13 45.131 -11.754 -2.199 104 H GLU 14 H GLU 14 48.149 -13.138 -5.102 105 HA GLU 14 HA GLU 14 50.652 -12.668 -6.338 106 1HB GLU 14 1HB GLU 14 48.143 -13.757 -6.948 107 2HB GLU 14 2HB GLU 14 48.373 -12.484 -8.146 108 1HG GLU 14 1HG GLU 14 49.633 -13.989 -9.274 109 2HG GLU 14 2HG GLU 14 50.862 -13.693 -8.044 110 H GLU 15 H GLU 15 47.713 -10.640 -6.302 111 HA GLU 15 HA GLU 15 48.757 -8.575 -8.022 112 1HB GLU 15 1HB GLU 15 46.469 -9.041 -6.177 113 2HB GLU 15 2HB GLU 15 46.844 -7.357 -6.543 114 1HG GLU 15 1HG GLU 15 47.007 -8.435 -9.030 115 2HG GLU 15 2HG GLU 15 45.783 -9.484 -8.314 116 H GLN 16 H GLN 16 48.171 -8.489 -4.479 117 HA GLN 16 HA GLN 16 49.462 -6.102 -3.848 118 1HB GLN 16 1HB GLN 16 48.216 -7.504 -2.271 119 2HB GLN 16 2HB GLN 16 49.455 -8.756 -2.372 120 1HG GLN 16 1HG GLN 16 50.594 -7.738 -0.722 121 2HG GLN 16 2HG GLN 16 50.777 -6.316 -1.748 122 1HE2 GLN 16 2HE2 GLN 16 50.567 -5.419 0.686 123 2HE2 GLN 16 1HE2 GLN 16 48.993 -4.971 1.139 124 H LYS 17 H LYS 17 51.000 -9.342 -3.945 125 HA LYS 17 HA LYS 17 53.635 -8.693 -3.330 126 1HB LYS 17 1HB LYS 17 52.175 -10.717 -4.878 127 2HB LYS 17 2HB LYS 17 53.843 -10.510 -5.411 128 1HG LYS 17 1HG LYS 17 54.695 -11.388 -3.496 129 2HG LYS 17 2HG LYS 17 53.507 -10.566 -2.482 130 1HD LYS 17 1HD LYS 17 52.105 -12.351 -2.474 131 2HD LYS 17 2HD LYS 17 52.360 -12.671 -4.191 132 1HE LYS 17 1HE LYS 17 54.711 -13.524 -3.471 133 2HE LYS 17 2HE LYS 17 54.010 -13.608 -1.843 134 1HZ LYS 17 1HZ LYS 17 52.082 -14.786 -2.918 135 2HZ LYS 17 2HZ LYS 17 53.040 -14.937 -4.309 136 3HZ LYS 17 3HZ LYS 17 53.532 -15.670 -2.857 137 H ASN 18 H ASN 18 52.059 -8.403 -6.530 138 HA ASN 18 HA ASN 18 54.416 -7.401 -7.879 139 1HB ASN 18 1HB ASN 18 51.514 -6.947 -8.616 140 2HB ASN 18 2HB ASN 18 52.893 -7.114 -9.702 141 1HD2 ASN 18 2HD2 ASN 18 50.557 -8.806 -9.896 142 2HD2 ASN 18 1HD2 ASN 18 51.030 -10.391 -9.514 143 H GLU 19 H GLU 19 52.101 -5.968 -5.753 144 HA GLU 19 HA GLU 19 52.214 -3.250 -6.729 145 1HB GLU 19 1HB GLU 19 50.512 -4.398 -5.199 146 2HB GLU 19 2HB GLU 19 51.694 -4.203 -3.904 147 1HG GLU 19 1HG GLU 19 51.465 -1.712 -5.296 148 2HG GLU 19 2HG GLU 19 49.843 -2.272 -4.885 149 H PHE 20 H PHE 20 53.715 -4.712 -3.798 150 HA PHE 20 HA PHE 20 55.402 -2.475 -3.242 151 1HB PHE 20 1HB PHE 20 56.234 -3.862 -1.551 152 2HB PHE 20 2HB PHE 20 54.673 -4.607 -1.877 153 HD1 PHE 20 HD1 PHE 20 58.325 -4.887 -2.380 154 HD2 PHE 20 HD2 PHE 20 54.508 -6.768 -2.966 155 HE1 PHE 20 HE1 PHE 20 59.461 -7.019 -2.943 156 HE2 PHE 20 HE2 PHE 20 55.643 -8.898 -3.532 157 HZ PHE 20 HZ PHE 20 58.121 -9.024 -3.520 158 H LYS 21 H LYS 21 56.110 -5.530 -4.980 159 HA LYS 21 HA LYS 21 58.803 -5.246 -5.566 160 1HB LYS 21 1HB LYS 21 56.411 -6.427 -6.799 161 2HB LYS 21 2HB LYS 21 57.693 -6.079 -7.962 162 1HG LYS 21 1HG LYS 21 58.973 -7.190 -5.701 163 2HG LYS 21 2HG LYS 21 57.557 -8.197 -6.003 164 1HD LYS 21 1HD LYS 21 59.745 -7.486 -7.975 165 2HD LYS 21 2HD LYS 21 59.381 -9.084 -7.318 166 1HE LYS 21 1HE LYS 21 56.944 -8.369 -8.369 167 2HE LYS 21 2HE LYS 21 58.069 -7.635 -9.528 168 1HZ LYS 21 1HZ LYS 21 58.208 -10.434 -8.535 169 2HZ LYS 21 2HZ LYS 21 57.642 -9.966 -10.067 170 3HZ LYS 21 3HZ LYS 21 59.271 -9.722 -9.650 171 H ALA 22 H ALA 22 56.107 -3.423 -6.951 172 HA ALA 22 HA ALA 22 57.604 -2.157 -9.075 173 1HB ALA 22 1HB ALA 22 55.079 -2.428 -8.766 174 2HB ALA 22 2HB ALA 22 55.175 -1.109 -7.598 175 3HB ALA 22 3HB ALA 22 55.613 -0.828 -9.283 176 H ALA 23 H ALA 23 56.512 -0.923 -5.887 177 HA ALA 23 HA ALA 23 57.804 1.584 -5.954 178 1HB ALA 23 1HB ALA 23 56.909 -0.373 -3.870 179 2HB ALA 23 2HB ALA 23 57.866 1.015 -3.349 180 3HB ALA 23 3HB ALA 23 56.332 1.264 -4.185 181 H PHE 24 H PHE 24 59.067 -1.589 -4.940 182 HA PHE 24 HA PHE 24 61.590 -0.752 -3.936 183 1HB PHE 24 1HB PHE 24 60.835 -2.972 -3.555 184 2HB PHE 24 2HB PHE 24 60.519 -3.243 -5.269 185 HD1 PHE 24 HD1 PHE 24 62.380 -3.585 -6.859 186 HD2 PHE 24 HD2 PHE 24 63.068 -3.174 -2.639 187 HE1 PHE 24 HE1 PHE 24 64.671 -4.490 -7.144 188 HE2 PHE 24 HE2 PHE 24 65.359 -4.080 -2.924 189 HZ PHE 24 HZ PHE 24 66.161 -4.738 -5.177 190 H ASP 25 H ASP 25 60.733 -1.873 -7.233 191 HA ASP 25 HA ASP 25 63.200 -1.663 -8.508 192 1HB ASP 25 1HB ASP 25 60.408 -1.738 -9.161 193 2HB ASP 25 2HB ASP 25 61.196 -0.565 -10.215 194 H ILE 26 H ILE 26 60.851 0.990 -7.976 195 HA ILE 26 HA ILE 26 62.518 3.015 -9.216 196 HB ILE 26 HB ILE 26 60.127 3.022 -7.357 197 1HG1 ILE 26 1HG1 ILE 26 59.268 4.094 -9.656 198 2HG1 ILE 26 2HG1 ILE 26 60.611 3.149 -10.302 199 1HG2 ILE 26 1HG2 ILE 26 61.626 5.094 -7.165 200 2HG2 ILE 26 2HG2 ILE 26 61.206 5.422 -8.847 201 3HG2 ILE 26 3HG2 ILE 26 59.946 5.385 -7.616 202 1HD1 ILE 26 1HD1 ILE 26 58.628 1.911 -8.400 203 2HD1 ILE 26 2HD1 ILE 26 58.290 1.998 -10.129 204 3HD1 ILE 26 3HD1 ILE 26 59.699 1.111 -9.550 205 H PHE 27 H PHE 27 62.177 1.758 -5.934 206 HA PHE 27 HA PHE 27 63.476 3.861 -4.508 207 1HB PHE 27 1HB PHE 27 62.898 0.950 -4.154 208 2HB PHE 27 2HB PHE 27 64.034 1.701 -3.033 209 HD1 PHE 27 HD1 PHE 27 61.460 3.791 -4.559 210 HD2 PHE 27 HD2 PHE 27 62.409 1.323 -1.171 211 HE1 PHE 27 HE1 PHE 27 59.567 4.786 -3.303 212 HE2 PHE 27 HE2 PHE 27 60.516 2.321 0.084 213 HZ PHE 27 HZ PHE 27 59.096 4.052 -0.982 214 H VAL 28 H VAL 28 64.744 1.447 -6.661 215 HA VAL 28 HA VAL 28 67.534 2.105 -5.774 216 HB VAL 28 HB VAL 28 68.102 -0.111 -6.551 217 1HG1 VAL 28 1HG1 VAL 28 65.447 -0.129 -5.086 218 2HG1 VAL 28 2HG1 VAL 28 66.533 -1.514 -5.211 219 3HG1 VAL 28 3HG1 VAL 28 67.049 -0.065 -4.349 220 1HG2 VAL 28 1HG2 VAL 28 66.672 -0.028 -8.593 221 2HG2 VAL 28 2HG2 VAL 28 66.488 -1.542 -7.707 222 3HG2 VAL 28 3HG2 VAL 28 65.253 -0.289 -7.579 223 H LEU 29 H LEU 29 65.612 3.445 -7.790 224 HA LEU 29 HA LEU 29 66.375 2.988 -10.465 225 1HB LEU 29 1HB LEU 29 65.143 5.059 -8.817 226 2HB LEU 29 2HB LEU 29 66.044 5.750 -10.168 227 HG LEU 29 HG LEU 29 64.172 3.428 -10.598 228 1HD1 LEU 29 1HD1 LEU 29 62.963 5.300 -9.431 229 2HD1 LEU 29 2HD1 LEU 29 63.423 6.360 -10.763 230 3HD1 LEU 29 3HD1 LEU 29 62.368 4.977 -11.060 231 1HD2 LEU 29 1HD2 LEU 29 65.968 4.615 -12.244 232 2HD2 LEU 29 2HD2 LEU 29 64.462 3.903 -12.825 233 3HD2 LEU 29 3HD2 LEU 29 64.565 5.642 -12.544 234 H GLY 30 H GLY 30 68.634 2.604 -10.708 235 1HA GLY 30 1HA GLY 30 70.579 3.903 -11.587 236 2HA GLY 30 2HA GLY 30 70.358 5.002 -10.224 237 H ALA 31 H ALA 31 69.726 2.405 -8.609 238 HA ALA 31 HA ALA 31 72.110 2.137 -7.189 239 1HB ALA 31 1HB ALA 31 69.691 1.158 -6.910 240 2HB ALA 31 2HB ALA 31 70.348 -0.235 -7.769 241 3HB ALA 31 3HB ALA 31 71.055 0.268 -6.233 242 H GLU 32 H GLU 32 73.491 0.018 -7.169 243 HA GLU 32 HA GLU 32 74.267 -0.635 -9.994 244 1HB GLU 32 1HB GLU 32 75.896 0.727 -8.763 245 2HB GLU 32 2HB GLU 32 75.894 -0.439 -7.438 246 1HG GLU 32 1HG GLU 32 77.067 -2.034 -8.655 247 2HG GLU 32 2HG GLU 32 76.521 -1.399 -10.208 248 H ASP 33 H ASP 33 73.576 -1.895 -6.781 249 HA ASP 33 HA ASP 33 73.954 -4.680 -7.840 250 1HB ASP 33 1HB ASP 33 75.035 -3.333 -5.610 251 2HB ASP 33 2HB ASP 33 73.825 -4.436 -4.952 252 H GLY 34 H GLY 34 71.667 -2.385 -6.849 253 1HA GLY 34 1HA GLY 34 69.288 -2.808 -6.991 254 2HA GLY 34 2HA GLY 34 69.601 -4.511 -6.646 255 H CYS 35 H CYS 35 70.541 -1.493 -4.964 256 HA CYS 35 HA CYS 35 69.093 -2.502 -2.545 257 1HB CYS 35 1HB CYS 35 71.156 -1.712 -1.270 258 2HB CYS 35 2HB CYS 35 71.403 -3.135 -2.281 259 HG CYS 35 HG CYS 35 73.224 -1.797 -3.306 260 H ILE 36 H ILE 36 69.341 -0.550 -0.803 261 HA ILE 36 HA ILE 36 68.625 1.967 -2.276 262 HB ILE 36 HB ILE 36 67.672 1.115 0.465 263 1HG1 ILE 36 1HG1 ILE 36 66.532 0.448 -2.264 264 2HG1 ILE 36 2HG1 ILE 36 66.995 -0.683 -0.992 265 1HG2 ILE 36 1HG2 ILE 36 67.366 3.432 -1.146 266 2HG2 ILE 36 2HG2 ILE 36 65.810 2.601 -1.143 267 3HG2 ILE 36 3HG2 ILE 36 66.563 3.067 0.382 268 1HD1 ILE 36 1HD1 ILE 36 65.223 0.245 0.468 269 2HD1 ILE 36 2HD1 ILE 36 64.746 1.346 -0.826 270 3HD1 ILE 36 3HD1 ILE 36 64.552 -0.394 -1.033 271 H SER 37 H SER 37 69.241 3.961 -1.203 272 HA SER 37 HA SER 37 71.046 3.855 1.132 273 1HB SER 37 1HB SER 37 72.001 3.558 -1.489 274 2HB SER 37 2HB SER 37 72.337 5.232 -1.069 275 HG SER 37 HG SER 37 73.185 4.292 0.965 276 H THR 38 H THR 38 68.522 5.140 0.401 277 HA THR 38 HA THR 38 67.491 7.227 0.838 278 HB THR 38 HB THR 38 68.712 8.793 2.051 279 HG1 THR 38 HG1 THR 38 70.112 9.498 0.534 280 1HG2 THR 38 1HG2 THR 38 69.205 6.224 2.704 281 2HG2 THR 38 2HG2 THR 38 70.856 6.774 2.416 282 3HG2 THR 38 3HG2 THR 38 69.855 7.586 3.619 283 H LYS 39 H LYS 39 70.563 7.661 -0.987 284 HA LYS 39 HA LYS 39 69.780 9.779 -2.659 285 1HB LYS 39 1HB LYS 39 71.940 8.147 -2.372 286 2HB LYS 39 2HB LYS 39 71.287 7.532 -3.892 287 1HG LYS 39 1HG LYS 39 71.099 10.252 -4.253 288 2HG LYS 39 2HG LYS 39 72.588 10.110 -3.318 289 1HD LYS 39 1HD LYS 39 73.210 8.221 -4.981 290 2HD LYS 39 2HD LYS 39 71.932 8.892 -5.996 291 1HE LYS 39 1HE LYS 39 73.406 11.130 -5.151 292 2HE LYS 39 2HE LYS 39 74.622 9.903 -5.563 293 1HZ LYS 39 1HZ LYS 39 72.265 10.490 -7.267 294 2HZ LYS 39 2HZ LYS 39 73.770 11.237 -7.494 295 3HZ LYS 39 3HZ LYS 39 73.625 9.553 -7.666 296 H GLU 40 H GLU 40 69.111 6.296 -2.965 297 HA GLU 40 HA GLU 40 67.585 6.701 -5.467 298 1HB GLU 40 1HB GLU 40 67.907 4.224 -3.746 299 2HB GLU 40 2HB GLU 40 67.500 4.289 -5.461 300 1HG GLU 40 1HG GLU 40 70.113 5.291 -4.301 301 2HG GLU 40 2HG GLU 40 69.898 3.698 -5.027 302 H LEU 41 H LEU 41 67.062 6.381 -2.035 303 HA LEU 41 HA LEU 41 64.218 5.710 -2.233 304 1HB LEU 41 1HB LEU 41 65.993 5.207 -0.387 305 2HB LEU 41 2HB LEU 41 65.656 6.850 0.161 306 HG LEU 41 HG LEU 41 64.210 5.311 1.370 307 1HD1 LEU 41 1HD1 LEU 41 63.300 7.521 0.574 308 2HD1 LEU 41 2HD1 LEU 41 62.590 6.673 -0.799 309 3HD1 LEU 41 3HD1 LEU 41 62.062 6.293 0.841 310 1HD2 LEU 41 1HD2 LEU 41 63.997 4.105 -1.297 311 2HD2 LEU 41 2HD2 LEU 41 63.739 3.375 0.287 312 3HD2 LEU 41 3HD2 LEU 41 62.437 4.274 -0.491 313 H GLY 42 H GLY 42 65.917 8.558 -0.854 314 1HA GLY 42 1HA GLY 42 63.743 10.274 -0.600 315 2HA GLY 42 2HA GLY 42 65.365 10.845 -1.002 316 H LYS 43 H LYS 43 65.404 9.297 -3.534 317 HA LYS 43 HA LYS 43 64.623 11.228 -5.395 318 1HB LYS 43 1HB LYS 43 65.709 8.672 -5.366 319 2HB LYS 43 2HB LYS 43 64.222 8.463 -6.292 320 1HG LYS 43 1HG LYS 43 65.194 10.812 -7.328 321 2HG LYS 43 2HG LYS 43 66.680 9.924 -6.996 322 1HD LYS 43 1HD LYS 43 66.176 8.238 -8.483 323 2HD LYS 43 2HD LYS 43 64.435 8.467 -8.319 324 1HE LYS 43 1HE LYS 43 65.177 10.880 -9.387 325 2HE LYS 43 2HE LYS 43 66.327 9.779 -10.172 326 1HZ LYS 43 1HZ LYS 43 64.448 8.290 -10.664 327 2HZ LYS 43 2HZ LYS 43 63.376 9.449 -10.036 328 3HZ LYS 43 3HZ LYS 43 64.285 9.801 -11.424 329 H VAL 44 H VAL 44 62.652 8.701 -3.891 330 HA VAL 44 HA VAL 44 60.324 9.286 -5.601 331 HB VAL 44 HB VAL 44 60.947 7.468 -3.267 332 1HG1 VAL 44 1HG1 VAL 44 58.363 8.461 -4.110 333 2HG1 VAL 44 2HG1 VAL 44 58.473 6.725 -4.393 334 3HG1 VAL 44 3HG1 VAL 44 58.752 7.372 -2.777 335 1HG2 VAL 44 1HG2 VAL 44 60.339 7.100 -6.212 336 2HG2 VAL 44 2HG2 VAL 44 61.822 6.678 -5.356 337 3HG2 VAL 44 3HG2 VAL 44 60.344 5.757 -5.067 338 H MET 45 H MET 45 61.521 10.113 -2.391 339 HA MET 45 HA MET 45 59.131 11.040 -1.174 340 1HB MET 45 1HB MET 45 62.070 11.574 -0.975 341 2HB MET 45 2HB MET 45 60.975 12.654 -0.111 342 1HG MET 45 1HG MET 45 61.646 10.792 1.344 343 2HG MET 45 2HG MET 45 59.923 10.695 0.983 344 1HE MET 45 1HE MET 45 58.787 9.206 0.151 345 2HE MET 45 2HE MET 45 59.213 8.913 -1.533 346 3HE MET 45 3HE MET 45 59.220 7.576 -0.387 347 H ARG 46 H ARG 46 61.311 12.609 -3.493 348 HA ARG 46 HA ARG 46 60.057 15.226 -3.310 349 1HB ARG 46 1HB ARG 46 61.571 15.751 -5.091 350 2HB ARG 46 2HB ARG 46 62.415 14.572 -4.086 351 1HG ARG 46 1HG ARG 46 61.225 12.846 -5.727 352 2HG ARG 46 2HG ARG 46 61.231 14.238 -6.811 353 1HD ARG 46 1HD ARG 46 63.793 13.831 -5.410 354 2HD ARG 46 2HD ARG 46 63.354 12.513 -6.514 355 HE ARG 46 HE ARG 46 62.763 14.936 -7.850 356 1HH1 ARG 46 1HH1 ARG 46 65.411 13.036 -6.723 357 2HH1 ARG 46 2HH1 ARG 46 66.560 13.763 -7.794 358 1HH2 ARG 46 1HH2 ARG 46 64.276 15.971 -9.182 359 2HH2 ARG 46 2HH2 ARG 46 65.919 15.423 -9.185 360 H MET 47 H MET 47 59.312 12.270 -4.964 361 HA MET 47 HA MET 47 57.666 13.545 -7.046 362 1HB MET 47 1HB MET 47 58.813 10.954 -6.386 363 2HB MET 47 2HB MET 47 57.128 10.794 -6.881 364 1HG MET 47 1HG MET 47 57.524 11.675 -9.001 365 2HG MET 47 2HG MET 47 58.961 12.552 -8.479 366 1HE MET 47 1HE MET 47 57.395 9.257 -8.185 367 2HE MET 47 2HE MET 47 58.469 8.060 -8.905 368 3HE MET 47 3HE MET 47 58.780 8.644 -7.272 369 H LEU 48 H LEU 48 57.192 11.854 -3.962 370 HA LEU 48 HA LEU 48 54.271 11.827 -4.197 371 1HB LEU 48 1HB LEU 48 56.176 11.350 -1.880 372 2HB LEU 48 2HB LEU 48 54.461 10.935 -1.891 373 HG LEU 48 HG LEU 48 56.101 9.910 -4.155 374 1HD1 LEU 48 1HD1 LEU 48 56.271 8.831 -1.326 375 2HD1 LEU 48 2HD1 LEU 48 56.822 7.962 -2.758 376 3HD1 LEU 48 3HD1 LEU 48 57.602 9.472 -2.288 377 1HD2 LEU 48 1HD2 LEU 48 53.866 8.857 -2.396 378 2HD2 LEU 48 2HD2 LEU 48 53.748 9.373 -4.077 379 3HD2 LEU 48 3HD2 LEU 48 54.631 7.904 -3.667 380 H GLY 49 H GLY 49 56.546 14.216 -3.488 381 1HA GLY 49 1HA GLY 49 55.890 16.503 -3.029 382 2HA GLY 49 2HA GLY 49 54.437 15.895 -2.235 383 H GLN 50 H GLN 50 57.736 14.720 -1.707 384 HA GLN 50 HA GLN 50 57.799 16.046 0.958 385 1HB GLN 50 1HB GLN 50 56.970 13.372 0.458 386 2HB GLN 50 2HB GLN 50 58.561 13.281 1.214 387 1HG GLN 50 1HG GLN 50 57.847 14.512 3.117 388 2HG GLN 50 2HG GLN 50 56.375 15.052 2.311 389 1HE2 GLN 50 2HE2 GLN 50 54.555 13.614 2.284 390 2HE2 GLN 50 1HE2 GLN 50 54.548 12.128 3.106 391 H ASN 51 H ASN 51 59.997 15.318 2.059 392 HA ASN 51 HA ASN 51 62.197 14.473 0.403 393 1HB ASN 51 1HB ASN 51 61.222 17.055 -0.086 394 2HB ASN 51 2HB ASN 51 62.657 17.307 0.908 395 1HD2 ASN 51 2HD2 ASN 51 64.384 15.312 0.083 396 2HD2 ASN 51 1HD2 ASN 51 64.716 15.456 -1.574 397 HA PRO 52 HA PRO 52 62.906 14.658 4.947 398 1HB PRO 52 1HB PRO 52 63.918 12.120 5.134 399 2HB PRO 52 2HB PRO 52 62.181 12.478 5.208 400 1HG PRO 52 1HG PRO 52 63.804 11.447 2.941 401 2HG PRO 52 2HG PRO 52 62.156 11.031 3.433 402 1HD PRO 52 1HD PRO 52 62.745 12.707 1.354 403 2HD PRO 52 2HD PRO 52 61.234 12.781 2.288 404 H THR 53 H THR 53 64.912 15.117 5.905 405 HA THR 53 HA THR 53 67.134 15.832 4.299 406 HB THR 53 HB THR 53 68.245 15.555 6.710 407 HG1 THR 53 HG1 THR 53 66.798 14.417 7.797 408 1HG2 THR 53 1HG2 THR 53 65.997 17.467 6.027 409 2HG2 THR 53 2HG2 THR 53 67.120 17.689 7.369 410 3HG2 THR 53 3HG2 THR 53 67.715 17.705 5.709 411 HA PRO 54 HA PRO 54 69.430 12.142 3.697 412 1HB PRO 54 1HB PRO 54 71.995 12.860 4.336 413 2HB PRO 54 2HB PRO 54 71.173 13.414 2.864 414 1HG PRO 54 1HG PRO 54 71.606 14.842 5.440 415 2HG PRO 54 2HG PRO 54 71.679 15.457 3.782 416 1HD PRO 54 1HD PRO 54 69.548 15.851 5.426 417 2HD PRO 54 2HD PRO 54 69.414 15.773 3.656 418 H GLU 55 H GLU 55 69.837 13.720 6.824 419 HA GLU 55 HA GLU 55 71.010 11.386 8.139 420 1HB GLU 55 1HB GLU 55 70.604 12.810 10.159 421 2HB GLU 55 2HB GLU 55 71.444 13.682 8.875 422 1HG GLU 55 1HG GLU 55 69.501 14.876 8.253 423 2HG GLU 55 2HG GLU 55 68.436 13.750 9.095 424 H GLU 56 H GLU 56 67.807 12.509 7.384 425 HA GLU 56 HA GLU 56 66.482 10.864 9.439 426 1HB GLU 56 1HB GLU 56 65.747 12.800 7.276 427 2HB GLU 56 2HB GLU 56 64.497 11.705 7.867 428 1HG GLU 56 1HG GLU 56 65.260 12.447 10.232 429 2HG GLU 56 2HG GLU 56 66.042 13.791 9.400 430 H LEU 57 H LEU 57 67.138 10.745 5.954 431 HA LEU 57 HA LEU 57 65.453 8.587 5.220 432 1HB LEU 57 1HB LEU 57 67.994 9.843 4.285 433 2HB LEU 57 2HB LEU 57 67.576 8.273 3.597 434 HG LEU 57 HG LEU 57 65.747 10.693 3.649 435 1HD1 LEU 57 1HD1 LEU 57 67.808 10.744 2.110 436 2HD1 LEU 57 2HD1 LEU 57 67.044 9.414 1.239 437 3HD1 LEU 57 3HD1 LEU 57 66.237 10.979 1.341 438 1HD2 LEU 57 1HD2 LEU 57 65.330 7.853 3.161 439 2HD2 LEU 57 2HD2 LEU 57 64.138 9.146 3.295 440 3HD2 LEU 57 3HD2 LEU 57 64.909 8.814 1.743 441 H GLN 58 H GLN 58 68.828 8.526 6.420 442 HA GLN 58 HA GLN 58 69.420 5.814 6.301 443 1HB GLN 58 1HB GLN 58 70.354 8.126 7.590 444 2HB GLN 58 2HB GLN 58 70.103 6.962 8.891 445 1HG GLN 58 1HG GLN 58 71.335 5.695 6.585 446 2HG GLN 58 2HG GLN 58 72.297 7.064 7.146 447 1HE2 GLN 58 2HE2 GLN 58 72.086 3.813 7.570 448 2HE2 GLN 58 1HE2 GLN 58 72.581 3.689 9.189 449 H GLU 59 H GLU 59 67.103 7.421 8.393 450 HA GLU 59 HA GLU 59 66.749 5.358 10.352 451 1HB GLU 59 1HB GLU 59 65.888 7.875 10.018 452 2HB GLU 59 2HB GLU 59 64.465 7.036 9.398 453 1HG GLU 59 1HG GLU 59 64.258 7.449 11.824 454 2HG GLU 59 2HG GLU 59 64.327 5.721 11.480 455 H MET 60 H MET 60 65.295 5.911 7.157 456 HA MET 60 HA MET 60 63.366 3.758 7.331 457 1HB MET 60 1HB MET 60 64.451 5.683 5.357 458 2HB MET 60 2HB MET 60 63.806 4.193 4.667 459 1HG MET 60 1HG MET 60 61.662 4.547 5.660 460 2HG MET 60 2HG MET 60 62.279 5.833 6.697 461 1HE MET 60 1HE MET 60 60.013 6.881 5.787 462 2HE MET 60 2HE MET 60 61.271 8.052 6.205 463 3HE MET 60 3HE MET 60 60.302 8.277 4.752 464 H ILE 61 H ILE 61 66.763 3.944 6.578 465 HA ILE 61 HA ILE 61 66.824 1.296 5.266 466 HB ILE 61 HB ILE 61 68.847 3.423 6.006 467 1HG1 ILE 61 1HG1 ILE 61 69.053 3.161 3.366 468 2HG1 ILE 61 2HG1 ILE 61 67.422 2.513 3.533 469 1HG2 ILE 61 1HG2 ILE 61 69.894 1.194 6.225 470 2HG2 ILE 61 2HG2 ILE 61 69.333 0.775 4.605 471 3HG2 ILE 61 3HG2 ILE 61 70.524 2.058 4.823 472 1HD1 ILE 61 1HD1 ILE 61 68.160 5.098 4.882 473 2HD1 ILE 61 2HD1 ILE 61 67.723 5.085 3.174 474 3HD1 ILE 61 3HD1 ILE 61 66.568 4.523 4.384 475 H ASP 62 H ASP 62 67.989 2.818 8.281 476 HA ASP 62 HA ASP 62 69.090 0.347 9.357 477 1HB ASP 62 1HB ASP 62 68.776 3.181 10.060 478 2HB ASP 62 2HB ASP 62 68.656 2.109 11.454 479 H GLU 63 H GLU 63 65.927 1.588 9.042 480 HA GLU 63 HA GLU 63 64.731 0.587 11.471 481 1HB GLU 63 1HB GLU 63 64.001 1.856 8.957 482 2HB GLU 63 2HB GLU 63 62.822 0.625 9.409 483 1HG GLU 63 1HG GLU 63 62.840 1.674 11.745 484 2HG GLU 63 2HG GLU 63 63.709 3.025 11.017 485 H VAL 64 H VAL 64 65.863 -0.964 8.600 486 HA VAL 64 HA VAL 64 64.649 -3.530 9.530 487 HB VAL 64 HB VAL 64 64.179 -3.945 7.036 488 1HG1 VAL 64 1HG1 VAL 64 62.694 -2.651 9.059 489 2HG1 VAL 64 2HG1 VAL 64 62.401 -1.733 7.583 490 3HG1 VAL 64 3HG1 VAL 64 62.061 -3.462 7.627 491 1HG2 VAL 64 1HG2 VAL 64 65.627 -1.656 6.688 492 2HG2 VAL 64 2HG2 VAL 64 64.465 -2.269 5.511 493 3HG2 VAL 64 3HG2 VAL 64 63.984 -1.015 6.655 494 H ASP 65 H ASP 65 67.429 -2.016 9.098 495 HA ASP 65 HA ASP 65 68.889 -3.752 7.277 496 1HB ASP 65 1HB ASP 65 69.338 -1.325 8.109 497 2HB ASP 65 2HB ASP 65 70.057 -2.105 9.519 498 H GLU 66 H GLU 66 68.323 -5.900 8.137 499 HA GLU 66 HA GLU 66 69.101 -6.607 10.876 500 1HB GLU 66 1HB GLU 66 67.272 -7.511 9.101 501 2HB GLU 66 2HB GLU 66 68.574 -8.659 8.785 502 1HG GLU 66 1HG GLU 66 68.412 -9.626 10.856 503 2HG GLU 66 2HG GLU 66 67.966 -8.110 11.642 504 H ASP 67 H ASP 67 70.996 -5.834 8.380 505 HA ASP 67 HA ASP 67 73.016 -7.956 9.027 506 1HB ASP 67 1HB ASP 67 73.712 -7.532 6.566 507 2HB ASP 67 2HB ASP 67 72.229 -8.448 6.839 508 H GLY 68 H GLY 68 72.257 -4.712 9.194 509 1HA GLY 68 1HA GLY 68 73.537 -2.798 9.631 510 2HA GLY 68 2HA GLY 68 74.837 -3.902 10.077 511 H SER 69 H SER 69 73.288 -3.681 6.894 512 HA SER 69 HA SER 69 75.966 -3.222 5.692 513 1HB SER 69 1HB SER 69 74.841 -3.919 3.653 514 2HB SER 69 2HB SER 69 74.366 -5.017 4.946 515 HG SER 69 HG SER 69 72.614 -4.174 3.624 516 H GLY 70 H GLY 70 73.272 -1.398 6.671 517 1HA GLY 70 1HA GLY 70 72.790 0.884 6.385 518 2HA GLY 70 2HA GLY 70 74.333 1.037 5.542 519 H THR 71 H THR 71 72.115 -1.360 4.392 520 HA THR 71 HA THR 71 71.022 0.462 2.311 521 HB THR 71 HB THR 71 71.864 -1.371 0.641 522 HG1 THR 71 HG1 THR 71 73.948 -1.667 2.461 523 1HG2 THR 71 1HG2 THR 71 72.684 0.985 0.794 524 2HG2 THR 71 2HG2 THR 71 73.872 0.458 1.986 525 3HG2 THR 71 3HG2 THR 71 73.948 -0.154 0.334 526 H VAL 72 H VAL 72 69.135 -0.430 1.286 527 HA VAL 72 HA VAL 72 67.942 -2.736 2.765 528 HB VAL 72 HB VAL 72 66.867 -0.392 1.182 529 1HG1 VAL 72 1HG1 VAL 72 65.595 -2.511 0.684 530 2HG1 VAL 72 2HG1 VAL 72 65.244 -2.640 2.408 531 3HG1 VAL 72 3HG1 VAL 72 64.633 -1.267 1.484 532 1HG2 VAL 72 1HG2 VAL 72 66.585 -1.335 4.053 533 2HG2 VAL 72 2HG2 VAL 72 67.471 0.083 3.494 534 3HG2 VAL 72 3HG2 VAL 72 65.713 0.036 3.369 535 H ASP 73 H ASP 73 67.102 -4.516 1.609 536 HA ASP 73 HA ASP 73 67.787 -4.611 -1.313 537 1HB ASP 73 1HB ASP 73 68.514 -6.223 0.956 538 2HB ASP 73 2HB ASP 73 67.576 -7.209 -0.167 539 H PHE 74 H PHE 74 66.381 -6.336 -2.466 540 HA PHE 74 HA PHE 74 63.638 -5.671 -2.342 541 1HB PHE 74 1HB PHE 74 65.322 -7.167 -3.922 542 2HB PHE 74 2HB PHE 74 64.291 -8.411 -3.215 543 HD1 PHE 74 HD1 PHE 74 61.847 -6.570 -2.816 544 HD2 PHE 74 HD2 PHE 74 64.424 -7.299 -6.174 545 HE1 PHE 74 HE1 PHE 74 60.014 -5.933 -4.358 546 HE2 PHE 74 HE2 PHE 74 62.591 -6.663 -7.718 547 HZ PHE 74 HZ PHE 74 60.386 -5.979 -6.811 548 H ASP 75 H ASP 75 65.483 -7.762 -0.299 549 HA ASP 75 HA ASP 75 63.174 -9.342 0.626 550 1HB ASP 75 1HB ASP 75 65.603 -10.098 0.381 551 2HB ASP 75 2HB ASP 75 65.956 -9.111 1.799 552 H GLU 76 H GLU 76 65.401 -6.923 2.054 553 HA GLU 76 HA GLU 76 63.985 -6.686 4.550 554 1HB GLU 76 1HB GLU 76 65.893 -4.888 3.021 555 2HB GLU 76 2HB GLU 76 65.402 -4.597 4.690 556 1HG GLU 76 1HG GLU 76 66.300 -6.793 5.350 557 2HG GLU 76 2HG GLU 76 66.778 -7.103 3.680 558 H PHE 77 H PHE 77 63.609 -5.158 1.401 559 HA PHE 77 HA PHE 77 62.122 -2.851 2.090 560 1HB PHE 77 1HB PHE 77 63.014 -3.390 -0.139 561 2HB PHE 77 2HB PHE 77 61.887 -4.740 -0.275 562 HD1 PHE 77 HD1 PHE 77 61.624 -1.150 0.807 563 HD2 PHE 77 HD2 PHE 77 60.109 -4.290 -1.701 564 HE1 PHE 77 HE1 PHE 77 59.886 0.388 -0.068 565 HE2 PHE 77 HE2 PHE 77 58.371 -2.753 -2.576 566 HZ PHE 77 HZ PHE 77 58.260 -0.414 -1.760 567 H LEU 78 H LEU 78 60.880 -6.113 1.253 568 HA LEU 78 HA LEU 78 58.127 -5.643 1.580 569 1HB LEU 78 1HB LEU 78 59.992 -7.967 1.920 570 2HB LEU 78 2HB LEU 78 58.300 -8.168 2.375 571 HG LEU 78 HG LEU 78 59.092 -7.011 -0.299 572 1HD1 LEU 78 1HD1 LEU 78 59.705 -9.606 0.549 573 2HD1 LEU 78 2HD1 LEU 78 58.206 -9.785 -0.360 574 3HD1 LEU 78 3HD1 LEU 78 59.615 -9.048 -1.122 575 1HD2 LEU 78 1HD2 LEU 78 56.666 -7.273 1.049 576 2HD2 LEU 78 2HD2 LEU 78 56.860 -6.998 -0.682 577 3HD2 LEU 78 3HD2 LEU 78 56.673 -8.639 -0.065 578 H VAL 79 H VAL 79 60.491 -6.642 4.077 579 HA VAL 79 HA VAL 79 58.692 -6.849 6.263 580 HB VAL 79 HB VAL 79 61.617 -6.119 5.994 581 1HG1 VAL 79 1HG1 VAL 79 59.919 -5.835 8.294 582 2HG1 VAL 79 2HG1 VAL 79 61.042 -7.167 8.575 583 3HG1 VAL 79 3HG1 VAL 79 61.658 -5.564 8.174 584 1HG2 VAL 79 1HG2 VAL 79 60.000 -8.606 6.342 585 2HG2 VAL 79 2HG2 VAL 79 61.475 -8.348 5.410 586 3HG2 VAL 79 3HG2 VAL 79 61.560 -8.533 7.162 587 H MET 80 H MET 80 60.493 -4.017 5.036 588 HA MET 80 HA MET 80 59.805 -2.186 7.104 589 1HB MET 80 1HB MET 80 61.323 -2.192 4.846 590 2HB MET 80 2HB MET 80 59.964 -1.200 4.310 591 1HG MET 80 1HG MET 80 60.951 -0.554 7.013 592 2HG MET 80 2HG MET 80 62.110 -0.242 5.720 593 1HE MET 80 1HE MET 80 61.147 0.256 3.500 594 2HE MET 80 2HE MET 80 59.789 1.320 3.140 595 3HE MET 80 3HE MET 80 61.351 2.001 3.617 596 H MET 81 H MET 81 57.958 -3.349 4.342 597 HA MET 81 HA MET 81 55.931 -1.257 4.462 598 1HB MET 81 1HB MET 81 56.436 -3.836 3.039 599 2HB MET 81 2HB MET 81 54.783 -3.220 3.050 600 1HG MET 81 1HG MET 81 56.795 -1.157 2.475 601 2HG MET 81 2HG MET 81 56.745 -2.444 1.272 602 1HE MET 81 1HE MET 81 56.062 0.604 2.026 603 2HE MET 81 2HE MET 81 55.504 0.786 0.365 604 3HE MET 81 3HE MET 81 54.402 1.122 1.699 605 H VAL 82 H VAL 82 55.970 -4.723 5.397 606 HA VAL 82 HA VAL 82 53.433 -5.087 6.415 607 HB VAL 82 HB VAL 82 56.029 -5.869 7.780 608 1HG1 VAL 82 1HG1 VAL 82 53.593 -6.286 8.769 609 2HG1 VAL 82 2HG1 VAL 82 53.597 -7.606 7.600 610 3HG1 VAL 82 3HG1 VAL 82 54.834 -7.536 8.856 611 1HG2 VAL 82 1HG2 VAL 82 54.858 -6.574 5.180 612 2HG2 VAL 82 2HG2 VAL 82 56.493 -6.845 5.784 613 3HG2 VAL 82 3HG2 VAL 82 55.204 -7.980 6.188 614 H ARG 83 H ARG 83 56.151 -3.623 8.239 615 HA ARG 83 HA ARG 83 54.878 -3.079 10.668 616 1HB ARG 83 1HB ARG 83 56.768 -1.282 9.113 617 2HB ARG 83 2HB ARG 83 56.556 -1.304 10.864 618 1HG ARG 83 1HG ARG 83 57.142 -3.860 10.608 619 2HG ARG 83 2HG ARG 83 57.877 -3.335 9.093 620 1HD ARG 83 1HD ARG 83 59.547 -3.285 10.916 621 2HD ARG 83 2HD ARG 83 59.201 -1.633 10.368 622 HE ARG 83 HE ARG 83 57.448 -2.559 12.527 623 1HH1 ARG 83 1HH1 ARG 83 58.426 0.285 11.878 624 2HH1 ARG 83 2HH1 ARG 83 59.446 0.592 13.244 625 1HH2 ARG 83 1HH2 ARG 83 59.613 -2.737 14.202 626 2HH2 ARG 83 2HH2 ARG 83 60.114 -1.118 14.564 627 H CYS 84 H CYS 84 54.923 -0.970 7.765 628 HA CYS 84 HA CYS 84 53.212 1.061 8.860 629 1HB CYS 84 1HB CYS 84 54.764 0.698 6.636 630 2HB CYS 84 2HB CYS 84 53.148 0.542 5.947 631 HG CYS 84 HG CYS 84 53.158 3.025 6.002 632 H MET 85 H MET 85 52.558 -2.093 7.556 633 HA MET 85 HA MET 85 49.686 -1.457 7.104 634 1HB MET 85 1HB MET 85 51.230 -4.037 6.712 635 2HB MET 85 2HB MET 85 49.670 -3.616 6.005 636 1HG MET 85 1HG MET 85 50.681 -1.845 4.689 637 2HG MET 85 2HG MET 85 52.235 -2.087 5.486 638 1HE MET 85 1HE MET 85 49.372 -3.930 4.050 639 2HE MET 85 2HE MET 85 50.004 -5.102 2.894 640 3HE MET 85 3HE MET 85 50.113 -5.431 4.622 641 H LYS 86 H LYS 86 48.093 -2.183 8.499 642 HA LYS 86 HA LYS 86 47.116 -3.192 10.401 643 1HB LYS 86 1HB LYS 86 48.540 -5.085 9.113 644 2HB LYS 86 2HB LYS 86 49.431 -5.056 10.636 645 1HG LYS 86 1HG LYS 86 46.417 -5.307 10.478 646 2HG LYS 86 2HG LYS 86 47.501 -6.694 10.581 647 1HD LYS 86 1HD LYS 86 48.495 -5.385 12.643 648 2HD LYS 86 2HD LYS 86 46.920 -4.591 12.638 649 1HE LYS 86 1HE LYS 86 46.514 -7.418 12.293 650 2HE LYS 86 2HE LYS 86 47.548 -7.149 13.710 651 1HZ LYS 86 1HZ LYS 86 45.212 -5.419 13.235 652 2HZ LYS 86 2HZ LYS 86 44.998 -6.932 13.971 653 3HZ LYS 86 3HZ LYS 86 46.005 -5.771 14.696 654 H ASP 87 H ASP 87 47.202 -2.198 12.373 655 HA ASP 87 HA ASP 87 49.897 -1.613 13.551 656 1HB ASP 87 1HB ASP 87 48.774 0.306 14.574 657 2HB ASP 87 2HB ASP 87 48.438 0.297 12.842 658 H ASP 88 H ASP 88 49.612 -1.346 16.088 659 HA ASP 88 HA ASP 88 48.186 -3.795 17.054 660 1HB ASP 88 1HB ASP 88 50.731 -3.444 17.216 661 2HB ASP 88 2HB ASP 88 50.369 -2.223 18.437 662 H SER 89 H SER 89 47.447 -3.554 19.429 663 HA SER 89 HA SER 89 46.036 -2.474 20.987 664 1HB SER 89 1HB SER 89 48.300 -1.032 20.690 665 2HB SER 89 2HB SER 89 47.130 0.168 20.149 666 HG SER 89 HG SER 89 47.062 -1.285 22.591 667 1H ARG 1 1H ARG 1 57.341 7.930 7.291 668 2H ARG 1 2H ARG 1 57.350 9.618 7.478 669 3H ARG 1 3H ARG 1 57.025 8.619 8.811 670 HA ARG 1 HA ARG 1 54.891 8.135 8.130 671 1HB ARG 1 1HB ARG 1 55.563 10.633 8.533 672 2HB ARG 1 2HB ARG 1 55.278 10.810 6.800 673 1HG ARG 1 1HG ARG 1 53.017 10.524 7.006 674 2HG ARG 1 2HG ARG 1 53.181 9.360 8.321 675 1HD ARG 1 1HD ARG 1 53.515 11.089 9.945 676 2HD ARG 1 2HD ARG 1 53.754 12.316 8.684 677 HE ARG 1 HE ARG 1 51.156 11.083 9.418 678 1HH1 ARG 1 1HH2 ARG 1 52.015 14.071 9.117 679 2HH1 ARG 1 2HH2 ARG 1 51.116 14.494 7.698 680 1HH2 ARG 1 1HH1 ARG 1 50.429 11.208 6.829 681 2HH2 ARG 1 2HH1 ARG 1 50.217 12.875 6.404 682 H ILE 2 H ILE 2 55.596 6.457 6.408 683 HA ILE 2 HA ILE 2 55.285 7.448 3.614 684 HB ILE 2 HB ILE 2 55.970 4.689 4.672 685 1HG1 ILE 2 1HG1 ILE 2 57.807 6.985 3.916 686 2HG1 ILE 2 2HG1 ILE 2 57.551 6.372 5.550 687 1HG2 ILE 2 1HG2 ILE 2 55.924 6.020 2.004 688 2HG2 ILE 2 2HG2 ILE 2 57.259 4.913 2.325 689 3HG2 ILE 2 3HG2 ILE 2 55.594 4.340 2.427 690 1HD1 ILE 2 1HD1 ILE 2 58.169 4.099 4.038 691 2HD1 ILE 2 2HD1 ILE 2 59.280 5.338 3.451 692 3HD1 ILE 2 3HD1 ILE 2 59.240 4.928 5.167 693 H SER 3 H SER 3 52.889 7.831 4.132 694 HA SER 3 HA SER 3 51.039 5.815 4.819 695 1HB SER 3 1HB SER 3 50.177 7.633 2.680 696 2HB SER 3 2HB SER 3 49.584 7.492 4.331 697 HG SER 3 HG SER 3 50.629 9.499 3.933 698 H ALA 4 H ALA 4 51.037 3.804 3.856 699 HA ALA 4 HA ALA 4 52.023 2.949 1.428 700 1HB ALA 4 1HB ALA 4 50.735 1.771 3.387 701 2HB ALA 4 2HB ALA 4 49.316 2.029 2.372 702 3HB ALA 4 3HB ALA 4 50.666 1.063 1.773 703 H ASP 5 H ASP 5 48.885 4.550 1.955 704 HA ASP 5 HA ASP 5 47.979 4.253 -0.786 705 1HB ASP 5 1HB ASP 5 47.212 6.052 1.532 706 2HB ASP 5 2HB ASP 5 46.301 5.964 0.024 707 H ALA 6 H ALA 6 49.978 6.591 0.907 708 HA ALA 6 HA ALA 6 49.712 8.695 -1.099 709 1HB ALA 6 1HB ALA 6 51.372 8.107 1.333 710 2HB ALA 6 2HB ALA 6 51.856 9.423 0.266 711 3HB ALA 6 3HB ALA 6 50.270 9.452 1.038 712 H MET 7 H MET 7 52.178 6.225 -0.326 713 HA MET 7 HA MET 7 54.208 6.926 -2.116 714 1HB MET 7 1HB MET 7 53.468 4.769 -0.495 715 2HB MET 7 2HB MET 7 53.650 4.067 -2.102 716 1HG MET 7 1HG MET 7 55.701 5.685 -0.570 717 2HG MET 7 2HG MET 7 55.812 3.988 -1.036 718 1HE MET 7 1HE MET 7 57.175 3.279 -2.645 719 2HE MET 7 2HE MET 7 55.774 3.225 -3.723 720 3HE MET 7 3HE MET 7 57.312 3.858 -4.303 721 H MET 8 H MET 8 51.172 5.205 -2.814 722 HA MET 8 HA MET 8 51.880 4.752 -5.626 723 1HB MET 8 1HB MET 8 49.908 3.937 -3.672 724 2HB MET 8 2HB MET 8 49.112 4.411 -5.173 725 1HG MET 8 1HG MET 8 49.620 2.304 -5.857 726 2HG MET 8 2HG MET 8 51.236 2.960 -6.119 727 1HE MET 8 1HE MET 8 53.243 2.390 -4.965 728 2HE MET 8 2HE MET 8 52.690 3.415 -3.644 729 3HE MET 8 3HE MET 8 53.375 1.831 -3.292 730 H GLN 9 H GLN 9 50.827 7.448 -3.905 731 HA GLN 9 HA GLN 9 48.865 8.552 -5.705 732 1HB GLN 9 1HB GLN 9 49.603 9.111 -3.243 733 2HB GLN 9 2HB GLN 9 50.759 10.184 -4.034 734 1HG GLN 9 1HG GLN 9 48.723 11.053 -5.378 735 2HG GLN 9 2HG GLN 9 47.746 10.269 -4.135 736 1HE2 GLN 9 2HE2 GLN 9 49.461 13.137 -4.884 737 2HE2 GLN 9 1HE2 GLN 9 49.468 13.816 -3.328 738 H ALA 10 H ALA 10 52.367 9.252 -5.321 739 HA ALA 10 HA ALA 10 52.382 10.854 -7.786 740 1HB ALA 10 1HB ALA 10 54.419 10.004 -5.722 741 2HB ALA 10 2HB ALA 10 54.859 10.961 -7.137 742 3HB ALA 10 3HB ALA 10 53.716 11.604 -5.957 743 H LEU 11 H LEU 11 53.984 7.819 -6.700 744 HA LEU 11 HA LEU 11 54.378 7.164 -9.602 745 1HB LEU 11 1HB LEU 11 56.301 5.748 -8.586 746 2HB LEU 11 2HB LEU 11 56.508 7.497 -8.634 747 HG LEU 11 HG LEU 11 55.255 6.240 -6.214 748 1HD1 LEU 11 1HD1 LEU 11 57.529 5.132 -6.985 749 2HD1 LEU 11 2HD1 LEU 11 58.229 6.626 -6.358 750 3HD1 LEU 11 3HD1 LEU 11 57.290 5.577 -5.294 751 1HD2 LEU 11 1HD2 LEU 11 55.806 8.822 -6.941 752 2HD2 LEU 11 2HD2 LEU 11 55.679 8.274 -5.271 753 3HD2 LEU 11 3HD2 LEU 11 57.261 8.406 -6.038 754 H LEU 12 H LEU 12 54.972 4.529 -9.482 755 HA LEU 12 HA LEU 12 53.982 2.392 -9.334 756 1HB LEU 12 1HB LEU 12 53.099 3.706 -6.744 757 2HB LEU 12 2HB LEU 12 52.804 2.008 -7.103 758 HG LEU 12 HG LEU 12 54.811 1.929 -5.898 759 1HD1 LEU 12 1HD1 LEU 12 54.943 0.916 -8.265 760 2HD1 LEU 12 2HD1 LEU 12 55.935 2.316 -8.674 761 3HD1 LEU 12 3HD1 LEU 12 56.467 1.192 -7.425 762 1HD2 LEU 12 1HD2 LEU 12 55.106 4.402 -5.852 763 2HD2 LEU 12 2HD2 LEU 12 56.622 3.547 -6.142 764 3HD2 LEU 12 3HD2 LEU 12 55.780 4.327 -7.480 765 H GLY 13 H GLY 13 52.277 1.771 -10.583 766 1HA GLY 13 1HA GLY 13 49.945 1.512 -11.081 767 2HA GLY 13 2HA GLY 13 49.594 2.888 -10.035 768 H ALA 14 H ALA 14 48.518 4.248 -11.438 769 HA ALA 14 HA ALA 14 50.107 5.588 -13.506 770 1HB ALA 14 1HB ALA 14 47.828 3.695 -14.127 771 2HB ALA 14 2HB ALA 14 48.351 4.935 -15.267 772 3HB ALA 14 3HB ALA 14 49.468 3.664 -14.774 773 H ARG 15 H ARG 15 47.943 6.727 -14.923 774 HA ARG 15 HA ARG 15 46.965 8.660 -12.959 775 1HB ARG 15 1HB ARG 15 47.374 8.414 -15.788 776 2HB ARG 15 2HB ARG 15 45.705 8.909 -15.509 777 1HG ARG 15 1HG ARG 15 46.531 11.003 -15.280 778 2HG ARG 15 2HG ARG 15 47.115 10.464 -13.705 779 1HD ARG 15 1HD ARG 15 49.013 11.405 -14.879 780 2HD ARG 15 2HD ARG 15 49.220 9.642 -14.909 781 HE ARG 15 HE ARG 15 47.676 10.296 -17.174 782 1HH1 ARG 15 1HH1 ARG 15 50.477 11.821 -16.015 783 2HH1 ARG 15 2HH1 ARG 15 51.375 11.643 -17.485 784 1HH2 ARG 15 1HH2 ARG 15 48.967 9.685 -19.030 785 2HH2 ARG 15 2HH2 ARG 15 50.521 10.433 -19.192 786 H ALA 16 H ALA 16 44.397 9.204 -13.964 787 HA ALA 16 HA ALA 16 42.832 7.103 -12.645 788 1HB ALA 16 1HB ALA 16 42.592 9.890 -13.497 789 2HB ALA 16 2HB ALA 16 41.122 8.970 -13.821 790 3HB ALA 16 3HB ALA 16 41.767 9.051 -12.182 791 H LYS 17 H LYS 17 42.486 5.264 -13.867 792 HA LYS 17 HA LYS 17 41.057 5.548 -16.436 793 1HB LYS 17 1HB LYS 17 43.820 5.399 -16.394 794 2HB LYS 17 2HB LYS 17 43.347 3.717 -16.640 795 1HG LYS 17 1HG LYS 17 42.129 5.954 -18.263 796 2HG LYS 17 2HG LYS 17 43.634 5.171 -18.749 797 1HD LYS 17 1HD LYS 17 42.452 3.483 -19.649 798 2HD LYS 17 2HD LYS 17 41.791 3.113 -18.056 799 1HE LYS 17 1HE LYS 17 39.850 4.379 -18.419 800 2HE LYS 17 2HE LYS 17 40.622 5.377 -19.669 801 1HZ LYS 17 1HZ LYS 17 40.945 3.012 -20.761 802 2HZ LYS 17 2HZ LYS 17 39.544 2.665 -19.865 803 3HZ LYS 17 3HZ LYS 17 39.530 3.919 -21.008 Start of MODEL 13 1 1H MET 1 1H MET 1 63.686 -12.260 19.048 2 2H MET 1 2H MET 1 63.521 -12.163 20.736 3 3H MET 1 3H MET 1 64.289 -13.503 20.030 4 HA MET 1 HA MET 1 62.339 -14.480 19.375 5 1HB MET 1 1HB MET 1 62.029 -12.790 21.844 6 2HB MET 1 2HB MET 1 60.681 -13.792 21.305 7 1HG MET 1 1HG MET 1 63.491 -14.809 21.822 8 2HG MET 1 2HG MET 1 62.136 -14.980 22.937 9 1HE MET 1 1HE MET 1 62.109 -17.244 23.238 10 2HE MET 1 2HE MET 1 60.419 -16.965 22.825 11 3HE MET 1 3HE MET 1 61.252 -18.380 22.186 12 H ASP 2 H ASP 2 61.157 -13.995 17.560 13 HA ASP 2 HA ASP 2 59.115 -11.878 17.693 14 1HB ASP 2 1HB ASP 2 61.590 -11.120 16.903 15 2HB ASP 2 2HB ASP 2 60.944 -11.665 15.354 16 H ASP 3 H ASP 3 57.406 -12.376 16.304 17 HA ASP 3 HA ASP 3 57.726 -14.057 13.947 18 1HB ASP 3 1HB ASP 3 57.871 -15.458 16.208 19 2HB ASP 3 2HB ASP 3 56.114 -15.335 16.124 20 H ILE 4 H ILE 4 56.508 -11.529 14.396 21 HA ILE 4 HA ILE 4 53.585 -12.167 14.155 22 HB ILE 4 HB ILE 4 55.052 -9.663 15.049 23 1HG1 ILE 4 1HG1 ILE 4 53.180 -11.068 16.853 24 2HG1 ILE 4 2HG1 ILE 4 54.640 -11.976 16.458 25 1HG2 ILE 4 1HG2 ILE 4 52.523 -9.849 13.907 26 2HG2 ILE 4 2HG2 ILE 4 52.196 -9.879 15.640 27 3HG2 ILE 4 3HG2 ILE 4 53.095 -8.535 14.936 28 1HD1 ILE 4 1HD1 ILE 4 54.684 -9.099 17.399 29 2HD1 ILE 4 2HD1 ILE 4 54.843 -10.474 18.490 30 3HD1 ILE 4 3HD1 ILE 4 56.056 -10.196 17.241 31 H TYR 5 H TYR 5 56.189 -10.042 12.931 32 HA TYR 5 HA TYR 5 54.568 -9.072 10.695 33 1HB TYR 5 1HB TYR 5 57.473 -8.880 11.530 34 2HB TYR 5 2HB TYR 5 56.855 -8.107 10.070 35 HD1 TYR 5 HD1 TYR 5 54.749 -6.590 10.353 36 HD2 TYR 5 HD2 TYR 5 57.317 -7.769 13.590 37 HE1 TYR 5 HE1 TYR 5 53.911 -4.691 11.710 38 HE2 TYR 5 HE2 TYR 5 56.478 -5.869 14.946 39 HH TYR 5 HH TYR 5 55.074 -4.158 15.041 40 H LYS 6 H LYS 6 57.497 -11.134 10.943 41 HA LYS 6 HA LYS 6 57.879 -11.868 8.301 42 1HB LYS 6 1HB LYS 6 58.229 -13.102 10.971 43 2HB LYS 6 2HB LYS 6 58.268 -14.232 9.617 44 1HG LYS 6 1HG LYS 6 59.787 -11.896 8.918 45 2HG LYS 6 2HG LYS 6 60.342 -12.490 10.484 46 1HD LYS 6 1HD LYS 6 60.199 -14.843 9.248 47 2HD LYS 6 2HD LYS 6 60.405 -13.837 7.813 48 1HE LYS 6 1HE LYS 6 62.607 -14.569 8.661 49 2HE LYS 6 2HE LYS 6 62.436 -12.815 8.869 50 1HZ LYS 6 1HZ LYS 6 61.353 -14.441 11.014 51 2HZ LYS 6 2HZ LYS 6 63.046 -14.482 10.869 52 3HZ LYS 6 3HZ LYS 6 62.246 -13.000 11.091 53 H ALA 7 H ALA 7 55.210 -12.770 10.386 54 HA ALA 7 HA ALA 7 54.254 -15.005 8.802 55 1HB ALA 7 1HB ALA 7 53.803 -14.031 11.280 56 2HB ALA 7 2HB ALA 7 52.411 -13.339 10.447 57 3HB ALA 7 3HB ALA 7 52.653 -15.086 10.459 58 H ALA 8 H ALA 8 53.019 -11.654 9.179 59 HA ALA 8 HA ALA 8 51.008 -11.642 7.254 60 1HB ALA 8 1HB ALA 8 51.718 -9.811 8.824 61 2HB ALA 8 2HB ALA 8 53.066 -9.466 7.739 62 3HB ALA 8 3HB ALA 8 51.407 -9.240 7.184 63 H VAL 9 H VAL 9 54.498 -11.599 6.736 64 HA VAL 9 HA VAL 9 54.486 -10.808 3.973 65 HB VAL 9 HB VAL 9 56.428 -12.655 5.386 66 1HG1 VAL 9 1HG1 VAL 9 56.646 -12.144 2.897 67 2HG1 VAL 9 2HG1 VAL 9 56.942 -10.467 3.359 68 3HG1 VAL 9 3HG1 VAL 9 58.050 -11.735 3.884 69 1HG2 VAL 9 1HG2 VAL 9 55.685 -9.869 5.952 70 2HG2 VAL 9 2HG2 VAL 9 56.619 -11.001 6.929 71 3HG2 VAL 9 3HG2 VAL 9 57.409 -10.082 5.649 72 H GLU 10 H GLU 10 54.862 -14.076 5.410 73 HA GLU 10 HA GLU 10 54.690 -15.539 2.983 74 1HB GLU 10 1HB GLU 10 54.479 -15.976 5.888 75 2HB GLU 10 2HB GLU 10 53.607 -17.170 4.927 76 1HG GLU 10 1HG GLU 10 55.707 -18.142 4.949 77 2HG GLU 10 2HG GLU 10 55.852 -17.145 3.499 78 H GLN 11 H GLN 11 52.199 -14.026 4.922 79 HA GLN 11 HA GLN 11 50.007 -15.519 3.631 80 1HB GLN 11 1HB GLN 11 50.317 -13.358 5.707 81 2HB GLN 11 2HB GLN 11 48.727 -13.715 5.032 82 1HG GLN 11 1HG GLN 11 48.595 -15.752 6.061 83 2HG GLN 11 2HG GLN 11 50.321 -16.067 5.883 84 1HE2 GLN 11 2HE2 GLN 11 48.249 -13.672 7.636 85 2HE2 GLN 11 1HE2 GLN 11 49.140 -13.747 9.079 86 H LEU 12 H LEU 12 52.002 -13.225 2.468 87 HA LEU 12 HA LEU 12 50.298 -11.137 1.500 88 1HB LEU 12 1HB LEU 12 52.944 -12.357 0.750 89 2HB LEU 12 2HB LEU 12 52.233 -11.118 -0.286 90 HG LEU 12 HG LEU 12 52.523 -10.723 2.694 91 1HD1 LEU 12 1HD1 LEU 12 54.753 -11.197 1.669 92 2HD1 LEU 12 2HD1 LEU 12 54.477 -9.875 0.535 93 3HD1 LEU 12 3HD1 LEU 12 54.614 -9.542 2.260 94 1HD2 LEU 12 1HD2 LEU 12 51.795 -9.086 0.303 95 2HD2 LEU 12 2HD2 LEU 12 51.134 -9.039 1.937 96 3HD2 LEU 12 3HD2 LEU 12 52.692 -8.286 1.593 97 H THR 13 H THR 13 50.238 -10.963 -1.133 98 HA THR 13 HA THR 13 49.043 -13.525 -2.143 99 HB THR 13 HB THR 13 47.723 -11.456 -3.428 100 HG1 THR 13 HG1 THR 13 47.162 -10.058 -1.696 101 1HG2 THR 13 1HG2 THR 13 46.727 -13.496 -2.445 102 2HG2 THR 13 2HG2 THR 13 46.956 -12.821 -0.831 103 3HG2 THR 13 3HG2 THR 13 45.842 -12.049 -1.961 104 H GLU 14 H GLU 14 49.509 -14.016 -4.317 105 HA GLU 14 HA GLU 14 51.894 -13.247 -5.520 106 1HB GLU 14 1HB GLU 14 50.112 -15.051 -6.094 107 2HB GLU 14 2HB GLU 14 49.391 -13.804 -7.111 108 1HG GLU 14 1HG GLU 14 51.050 -13.931 -8.658 109 2HG GLU 14 2HG GLU 14 52.308 -14.091 -7.431 110 H GLU 15 H GLU 15 48.668 -11.861 -6.276 111 HA GLU 15 HA GLU 15 49.543 -9.879 -8.108 112 1HB GLU 15 1HB GLU 15 47.223 -10.302 -6.259 113 2HB GLU 15 2HB GLU 15 47.376 -8.740 -7.065 114 1HG GLU 15 1HG GLU 15 47.070 -9.640 -9.176 115 2HG GLU 15 2HG GLU 15 47.698 -11.221 -8.708 116 H GLN 16 H GLN 16 49.138 -9.695 -4.559 117 HA GLN 16 HA GLN 16 49.793 -6.961 -4.199 118 1HB GLN 16 1HB GLN 16 48.881 -8.327 -2.431 119 2HB GLN 16 2HB GLN 16 50.240 -9.448 -2.524 120 1HG GLN 16 1HG GLN 16 51.649 -8.056 -1.368 121 2HG GLN 16 2HG GLN 16 50.910 -6.594 -2.024 122 1HE2 GLN 16 2HE2 GLN 16 49.903 -5.430 -0.387 123 2HE2 GLN 16 1HE2 GLN 16 49.056 -6.110 0.918 124 H LYS 17 H LYS 17 51.971 -9.810 -4.032 125 HA LYS 17 HA LYS 17 54.421 -8.631 -3.536 126 1HB LYS 17 1HB LYS 17 53.508 -11.063 -4.349 127 2HB LYS 17 2HB LYS 17 54.349 -10.541 -5.808 128 1HG LYS 17 1HG LYS 17 56.113 -11.513 -4.671 129 2HG LYS 17 2HG LYS 17 56.235 -9.862 -4.059 130 1HD LYS 17 1HD LYS 17 55.771 -10.535 -1.960 131 2HD LYS 17 2HD LYS 17 54.326 -11.388 -2.502 132 1HE LYS 17 1HE LYS 17 56.171 -12.835 -1.426 133 2HE LYS 17 2HE LYS 17 55.582 -13.376 -3.009 134 1HZ LYS 17 1HZ LYS 17 57.682 -11.376 -3.068 135 2HZ LYS 17 2HZ LYS 17 58.159 -12.899 -2.487 136 3HZ LYS 17 3HZ LYS 17 57.474 -12.760 -4.032 137 H ASN 18 H ASN 18 52.585 -8.521 -6.567 138 HA ASN 18 HA ASN 18 54.700 -7.269 -8.124 139 1HB ASN 18 1HB ASN 18 51.767 -7.856 -8.378 140 2HB ASN 18 2HB ASN 18 52.517 -6.755 -9.534 141 1HD2 ASN 18 2HD2 ASN 18 52.596 -10.102 -8.317 142 2HD2 ASN 18 1HD2 ASN 18 53.461 -10.736 -9.634 143 H GLU 19 H GLU 19 52.115 -6.143 -6.029 144 HA GLU 19 HA GLU 19 51.886 -3.445 -6.885 145 1HB GLU 19 1HB GLU 19 51.673 -4.783 -4.172 146 2HB GLU 19 2HB GLU 19 51.132 -3.135 -4.491 147 1HG GLU 19 1HG GLU 19 50.173 -5.336 -6.285 148 2HG GLU 19 2HG GLU 19 49.438 -5.159 -4.691 149 H PHE 20 H PHE 20 53.838 -4.670 -4.129 150 HA PHE 20 HA PHE 20 55.293 -2.258 -3.696 151 1HB PHE 20 1HB PHE 20 55.994 -5.173 -3.215 152 2HB PHE 20 2HB PHE 20 56.837 -3.809 -2.481 153 HD1 PHE 20 HD1 PHE 20 54.526 -1.970 -2.005 154 HD2 PHE 20 HD2 PHE 20 54.943 -6.192 -1.343 155 HE1 PHE 20 HE1 PHE 20 52.804 -1.860 -0.225 156 HE2 PHE 20 HE2 PHE 20 53.219 -6.084 0.438 157 HZ PHE 20 HZ PHE 20 52.150 -3.917 0.996 158 H LYS 21 H LYS 21 55.815 -4.947 -5.931 159 HA LYS 21 HA LYS 21 58.487 -4.565 -6.696 160 1HB LYS 21 1HB LYS 21 55.975 -5.594 -7.866 161 2HB LYS 21 2HB LYS 21 57.198 -5.135 -9.051 162 1HG LYS 21 1HG LYS 21 57.907 -6.836 -6.663 163 2HG LYS 21 2HG LYS 21 57.262 -7.558 -8.137 164 1HD LYS 21 1HD LYS 21 59.386 -5.623 -8.681 165 2HD LYS 21 2HD LYS 21 59.932 -6.960 -7.668 166 1HE LYS 21 1HE LYS 21 58.252 -7.600 -10.073 167 2HE LYS 21 2HE LYS 21 59.967 -7.209 -10.308 168 1HZ LYS 21 1HZ LYS 21 60.156 -8.776 -8.197 169 2HZ LYS 21 2HZ LYS 21 58.754 -9.450 -8.881 170 3HZ LYS 21 3HZ LYS 21 60.196 -9.391 -9.777 171 H ALA 22 H ALA 22 55.619 -2.678 -7.564 172 HA ALA 22 HA ALA 22 56.828 -1.099 -9.644 173 1HB ALA 22 1HB ALA 22 54.517 -0.664 -7.728 174 2HB ALA 22 2HB ALA 22 54.866 0.406 -9.085 175 3HB ALA 22 3HB ALA 22 54.428 -1.277 -9.380 176 H ALA 23 H ALA 23 56.094 -0.236 -6.235 177 HA ALA 23 HA ALA 23 57.538 2.223 -6.217 178 1HB ALA 23 1HB ALA 23 56.830 0.208 -4.063 179 2HB ALA 23 2HB ALA 23 57.458 1.819 -3.720 180 3HB ALA 23 3HB ALA 23 55.901 1.633 -4.528 181 H PHE 24 H PHE 24 58.550 -1.113 -5.505 182 HA PHE 24 HA PHE 24 61.147 -0.565 -4.471 183 1HB PHE 24 1HB PHE 24 60.041 -2.746 -4.370 184 2HB PHE 24 2HB PHE 24 60.050 -2.860 -6.131 185 HD1 PHE 24 HD1 PHE 24 62.560 -1.993 -3.468 186 HD2 PHE 24 HD2 PHE 24 61.658 -4.314 -6.969 187 HE1 PHE 24 HE1 PHE 24 64.830 -2.988 -3.393 188 HE2 PHE 24 HE2 PHE 24 63.928 -5.310 -6.893 189 HZ PHE 24 HZ PHE 24 65.514 -4.646 -5.105 190 H ASP 25 H ASP 25 60.194 -1.408 -7.826 191 HA ASP 25 HA ASP 25 62.642 -1.183 -9.129 192 1HB ASP 25 1HB ASP 25 59.783 -0.832 -9.746 193 2HB ASP 25 2HB ASP 25 60.855 0.018 -10.860 194 H ILE 26 H ILE 26 60.414 1.481 -8.269 195 HA ILE 26 HA ILE 26 62.119 3.555 -9.382 196 HB ILE 26 HB ILE 26 59.731 3.440 -7.529 197 1HG1 ILE 26 1HG1 ILE 26 59.003 4.892 -9.694 198 2HG1 ILE 26 2HG1 ILE 26 60.258 3.888 -10.422 199 1HG2 ILE 26 1HG2 ILE 26 61.195 5.896 -8.550 200 2HG2 ILE 26 2HG2 ILE 26 59.632 5.915 -7.732 201 3HG2 ILE 26 3HG2 ILE 26 61.074 5.385 -6.867 202 1HD1 ILE 26 1HD1 ILE 26 58.034 2.741 -8.724 203 2HD1 ILE 26 2HD1 ILE 26 57.903 2.914 -10.475 204 3HD1 ILE 26 3HD1 ILE 26 59.146 1.871 -9.782 205 H PHE 27 H PHE 27 62.051 1.794 -6.394 206 HA PHE 27 HA PHE 27 63.416 3.809 -4.777 207 1HB PHE 27 1HB PHE 27 62.447 1.005 -4.572 208 2HB PHE 27 2HB PHE 27 63.769 1.445 -3.491 209 HD1 PHE 27 HD1 PHE 27 61.359 3.946 -4.700 210 HD2 PHE 27 HD2 PHE 27 62.384 1.303 -1.472 211 HE1 PHE 27 HE1 PHE 27 59.759 5.130 -3.223 212 HE2 PHE 27 HE2 PHE 27 60.782 2.487 0.005 213 HZ PHE 27 HZ PHE 27 59.470 4.402 -0.871 214 H VAL 28 H VAL 28 64.383 1.416 -7.091 215 HA VAL 28 HA VAL 28 67.249 1.773 -6.268 216 HB VAL 28 HB VAL 28 67.553 -0.526 -7.073 217 1HG1 VAL 28 1HG1 VAL 28 65.409 0.078 -5.072 218 2HG1 VAL 28 2HG1 VAL 28 65.697 -1.604 -5.518 219 3HG1 VAL 28 3HG1 VAL 28 67.000 -0.639 -4.821 220 1HG2 VAL 28 1HG2 VAL 28 65.628 -0.169 -8.805 221 2HG2 VAL 28 2HG2 VAL 28 65.858 -1.776 -8.117 222 3HG2 VAL 28 3HG2 VAL 28 64.581 -0.727 -7.502 223 H LEU 29 H LEU 29 65.259 3.049 -8.378 224 HA LEU 29 HA LEU 29 65.960 2.428 -11.009 225 1HB LEU 29 1HB LEU 29 64.990 4.733 -9.468 226 2HB LEU 29 2HB LEU 29 65.832 5.195 -10.949 227 HG LEU 29 HG LEU 29 63.492 3.280 -10.719 228 1HD1 LEU 29 1HD1 LEU 29 62.979 5.727 -10.616 229 2HD1 LEU 29 2HD1 LEU 29 63.783 5.927 -12.173 230 3HD1 LEU 29 3HD1 LEU 29 62.319 4.951 -12.055 231 1HD2 LEU 29 1HD2 LEU 29 65.612 3.379 -12.638 232 2HD2 LEU 29 2HD2 LEU 29 64.161 2.377 -12.673 233 3HD2 LEU 29 3HD2 LEU 29 64.147 3.976 -13.417 234 H GLY 30 H GLY 30 67.912 4.016 -8.558 235 1HA GLY 30 1HA GLY 30 70.111 4.251 -10.575 236 2HA GLY 30 2HA GLY 30 69.864 5.467 -9.320 237 H ALA 31 H ALA 31 69.698 1.918 -9.052 238 HA ALA 31 HA ALA 31 71.687 2.086 -6.832 239 1HB ALA 31 1HB ALA 31 69.264 1.025 -6.820 240 2HB ALA 31 2HB ALA 31 70.084 -0.345 -7.570 241 3HB ALA 31 3HB ALA 31 70.582 0.214 -5.973 242 H GLU 32 H GLU 32 72.993 -0.150 -6.731 243 HA GLU 32 HA GLU 32 74.159 -0.583 -9.461 244 1HB GLU 32 1HB GLU 32 75.224 -0.032 -6.785 245 2HB GLU 32 2HB GLU 32 76.010 -1.408 -7.561 246 1HG GLU 32 1HG GLU 32 77.209 0.022 -8.815 247 2HG GLU 32 2HG GLU 32 75.712 0.585 -9.556 248 H ASP 33 H ASP 33 72.959 -2.140 -6.528 249 HA ASP 33 HA ASP 33 73.113 -4.770 -7.960 250 1HB ASP 33 1HB ASP 33 74.911 -4.495 -6.264 251 2HB ASP 33 2HB ASP 33 73.683 -4.190 -5.035 252 H GLY 34 H GLY 34 70.775 -3.407 -8.142 253 1HA GLY 34 1HA GLY 34 68.499 -3.395 -7.534 254 2HA GLY 34 2HA GLY 34 68.800 -5.082 -7.114 255 H CYS 35 H CYS 35 70.328 -2.308 -5.547 256 HA CYS 35 HA CYS 35 68.855 -3.035 -3.034 257 1HB CYS 35 1HB CYS 35 70.947 -2.456 -1.881 258 2HB CYS 35 2HB CYS 35 71.264 -3.667 -3.125 259 HG CYS 35 HG CYS 35 72.197 -0.723 -3.207 260 H ILE 36 H ILE 36 68.782 -1.145 -1.463 261 HA ILE 36 HA ILE 36 68.440 1.438 -2.953 262 HB ILE 36 HB ILE 36 66.977 0.356 -0.520 263 1HG1 ILE 36 1HG1 ILE 36 65.791 0.725 -3.264 264 2HG1 ILE 36 2HG1 ILE 36 66.667 -0.756 -2.873 265 1HG2 ILE 36 1HG2 ILE 36 67.040 2.951 -1.913 266 2HG2 ILE 36 2HG2 ILE 36 65.417 2.302 -1.683 267 3HG2 ILE 36 3HG2 ILE 36 66.469 2.559 -0.291 268 1HD1 ILE 36 1HD1 ILE 36 64.822 -0.028 -0.746 269 2HD1 ILE 36 2HD1 ILE 36 63.985 -0.213 -2.286 270 3HD1 ILE 36 3HD1 ILE 36 64.949 -1.541 -1.642 271 H SER 37 H SER 37 69.013 3.364 -1.761 272 HA SER 37 HA SER 37 70.373 3.103 0.852 273 1HB SER 37 1HB SER 37 71.784 2.639 -1.432 274 2HB SER 37 2HB SER 37 71.994 4.377 -1.257 275 HG SER 37 HG SER 37 72.589 3.875 0.980 276 H THR 38 H THR 38 68.084 4.528 -0.066 277 HA THR 38 HA THR 38 67.117 6.668 0.242 278 HB THR 38 HB THR 38 68.276 8.147 1.614 279 HG1 THR 38 HG1 THR 38 70.755 7.980 1.416 280 1HG2 THR 38 1HG2 THR 38 68.601 5.531 2.245 281 2HG2 THR 38 2HG2 THR 38 70.286 6.046 2.180 282 3HG2 THR 38 3HG2 THR 38 69.158 6.853 3.271 283 H LYS 39 H LYS 39 70.432 7.115 -1.116 284 HA LYS 39 HA LYS 39 69.870 9.202 -2.894 285 1HB LYS 39 1HB LYS 39 71.835 7.089 -2.545 286 2HB LYS 39 2HB LYS 39 71.547 7.385 -4.261 287 1HG LYS 39 1HG LYS 39 72.338 9.550 -4.167 288 2HG LYS 39 2HG LYS 39 71.846 9.766 -2.488 289 1HD LYS 39 1HD LYS 39 73.786 8.863 -1.658 290 2HD LYS 39 2HD LYS 39 73.967 7.743 -3.008 291 1HE LYS 39 1HE LYS 39 74.962 9.364 -4.390 292 2HE LYS 39 2HE LYS 39 74.291 10.711 -3.450 293 1HZ LYS 39 1HZ LYS 39 75.893 8.883 -1.900 294 2HZ LYS 39 2HZ LYS 39 76.771 9.685 -3.109 295 3HZ LYS 39 3HZ LYS 39 75.922 10.582 -1.943 296 H GLU 40 H GLU 40 69.012 5.802 -3.084 297 HA GLU 40 HA GLU 40 67.849 6.107 -5.805 298 1HB GLU 40 1HB GLU 40 67.919 3.729 -3.912 299 2HB GLU 40 2HB GLU 40 67.591 3.688 -5.644 300 1HG GLU 40 1HG GLU 40 69.827 3.101 -5.635 301 2HG GLU 40 2HG GLU 40 69.966 4.853 -5.790 302 H LEU 41 H LEU 41 66.931 5.479 -2.439 303 HA LEU 41 HA LEU 41 64.077 5.256 -2.995 304 1HB LEU 41 1HB LEU 41 64.502 4.124 -1.066 305 2HB LEU 41 2HB LEU 41 66.002 5.001 -0.795 306 HG LEU 41 HG LEU 41 64.782 6.864 0.203 307 1HD1 LEU 41 1HD1 LEU 41 62.500 5.455 -1.022 308 2HD1 LEU 41 2HD1 LEU 41 62.199 6.055 0.609 309 3HD1 LEU 41 3HD1 LEU 41 62.705 7.168 -0.661 310 1HD2 LEU 41 1HD2 LEU 41 64.017 4.122 1.235 311 2HD2 LEU 41 2HD2 LEU 41 65.363 5.134 1.764 312 3HD2 LEU 41 3HD2 LEU 41 63.705 5.607 2.134 313 H GLY 42 H GLY 42 66.003 7.681 -1.173 314 1HA GLY 42 1HA GLY 42 64.116 9.603 -0.651 315 2HA GLY 42 2HA GLY 42 65.756 10.033 -1.134 316 H LYS 43 H LYS 43 65.401 8.778 -3.814 317 HA LYS 43 HA LYS 43 64.736 10.980 -5.386 318 1HB LYS 43 1HB LYS 43 65.179 8.159 -5.668 319 2HB LYS 43 2HB LYS 43 63.826 8.617 -6.702 320 1HG LYS 43 1HG LYS 43 65.149 10.341 -7.774 321 2HG LYS 43 2HG LYS 43 66.478 10.080 -6.645 322 1HD LYS 43 1HD LYS 43 67.314 8.543 -8.048 323 2HD LYS 43 2HD LYS 43 65.883 7.553 -7.760 324 1HE LYS 43 1HE LYS 43 65.420 9.781 -9.639 325 2HE LYS 43 2HE LYS 43 66.573 8.562 -10.220 326 1HZ LYS 43 1HZ LYS 43 64.845 6.930 -9.204 327 2HZ LYS 43 2HZ LYS 43 63.765 8.225 -9.413 328 3HZ LYS 43 3HZ LYS 43 64.584 7.573 -10.752 329 H VAL 44 H VAL 44 62.555 8.719 -3.788 330 HA VAL 44 HA VAL 44 60.184 9.654 -5.239 331 HB VAL 44 HB VAL 44 60.654 7.903 -2.807 332 1HG1 VAL 44 1HG1 VAL 44 58.214 9.058 -3.918 333 2HG1 VAL 44 2HG1 VAL 44 58.164 7.296 -3.898 334 3HG1 VAL 44 3HG1 VAL 44 58.451 8.186 -2.404 335 1HG2 VAL 44 1HG2 VAL 44 60.498 7.479 -5.745 336 2HG2 VAL 44 2HG2 VAL 44 61.390 6.571 -4.523 337 3HG2 VAL 44 3HG2 VAL 44 59.663 6.291 -4.744 338 H MET 45 H MET 45 61.638 10.119 -2.015 339 HA MET 45 HA MET 45 59.686 11.522 -0.642 340 1HB MET 45 1HB MET 45 62.659 11.645 -0.875 341 2HB MET 45 2HB MET 45 61.871 12.951 0.012 342 1HG MET 45 1HG MET 45 62.338 11.274 1.643 343 2HG MET 45 2HG MET 45 60.615 11.127 1.295 344 1HE MET 45 1HE MET 45 59.542 9.815 0.055 345 2HE MET 45 2HE MET 45 60.190 8.852 -1.280 346 3HE MET 45 3HE MET 45 59.790 8.083 0.254 347 H ARG 46 H ARG 46 62.106 13.122 -2.762 348 HA ARG 46 HA ARG 46 60.866 15.678 -2.795 349 1HB ARG 46 1HB ARG 46 62.264 16.003 -4.795 350 2HB ARG 46 2HB ARG 46 63.162 15.089 -3.583 351 1HG ARG 46 1HG ARG 46 62.600 12.988 -4.719 352 2HG ARG 46 2HG ARG 46 61.650 13.873 -5.914 353 1HD ARG 46 1HD ARG 46 64.143 15.163 -5.917 354 2HD ARG 46 2HD ARG 46 64.524 13.431 -5.842 355 HE ARG 46 HE ARG 46 62.436 13.678 -7.706 356 1HH1 ARG 46 1HH1 ARG 46 65.755 14.490 -7.270 357 2HH1 ARG 46 2HH1 ARG 46 66.055 14.735 -8.958 358 1HH2 ARG 46 1HH2 ARG 46 62.776 14.134 -9.905 359 2HH2 ARG 46 2HH2 ARG 46 64.372 14.533 -10.448 360 H MET 47 H MET 47 60.069 12.701 -4.429 361 HA MET 47 HA MET 47 58.307 13.981 -6.414 362 1HB MET 47 1HB MET 47 59.242 11.236 -5.659 363 2HB MET 47 2HB MET 47 57.759 11.373 -6.606 364 1HG MET 47 1HG MET 47 60.051 13.030 -7.517 365 2HG MET 47 2HG MET 47 60.215 11.288 -7.735 366 1HE MET 47 1HE MET 47 59.071 9.879 -8.833 367 2HE MET 47 2HE MET 47 57.312 10.057 -8.834 368 3HE MET 47 3HE MET 47 58.213 10.170 -10.344 369 H LEU 48 H LEU 48 58.050 12.300 -3.312 370 HA LEU 48 HA LEU 48 55.193 11.947 -3.308 371 1HB LEU 48 1HB LEU 48 57.346 12.153 -1.188 372 2HB LEU 48 2HB LEU 48 55.664 11.807 -0.787 373 HG LEU 48 HG LEU 48 57.474 10.166 -2.580 374 1HD1 LEU 48 1HD1 LEU 48 57.669 9.988 -0.040 375 2HD1 LEU 48 2HD1 LEU 48 56.020 9.364 -0.050 376 3HD1 LEU 48 3HD1 LEU 48 57.301 8.486 -0.886 377 1HD2 LEU 48 1HD2 LEU 48 54.509 9.991 -1.995 378 2HD2 LEU 48 2HD2 LEU 48 55.295 10.089 -3.570 379 3HD2 LEU 48 3HD2 LEU 48 55.436 8.620 -2.603 380 H GLY 49 H GLY 49 57.307 14.641 -2.530 381 1HA GLY 49 1HA GLY 49 56.255 16.909 -2.744 382 2HA GLY 49 2HA GLY 49 54.892 16.261 -1.829 383 H GLN 50 H GLN 50 58.093 15.268 -0.943 384 HA GLN 50 HA GLN 50 58.223 17.278 1.255 385 1HB GLN 50 1HB GLN 50 58.463 14.305 1.756 386 2HB GLN 50 2HB GLN 50 58.205 15.590 2.936 387 1HG GLN 50 1HG GLN 50 55.970 16.027 1.952 388 2HG GLN 50 2HG GLN 50 56.227 14.706 0.812 389 1HE2 GLN 50 2HE2 GLN 50 57.679 13.077 2.917 390 2HE2 GLN 50 1HE2 GLN 50 56.457 12.492 3.940 391 H ASN 51 H ASN 51 60.318 16.128 2.672 392 HA ASN 51 HA ASN 51 62.455 15.085 1.051 393 1HB ASN 51 1HB ASN 51 61.798 17.794 0.641 394 2HB ASN 51 2HB ASN 51 63.262 17.813 1.627 395 1HD2 ASN 51 2HD2 ASN 51 64.420 15.349 0.618 396 2HD2 ASN 51 1HD2 ASN 51 64.874 15.621 -0.995 397 HA PRO 52 HA PRO 52 63.094 15.021 5.596 398 1HB PRO 52 1HB PRO 52 63.969 12.428 5.669 399 2HB PRO 52 2HB PRO 52 62.250 12.870 5.716 400 1HG PRO 52 1HG PRO 52 63.890 11.888 3.437 401 2HG PRO 52 2HG PRO 52 62.210 11.523 3.860 402 1HD PRO 52 1HD PRO 52 62.932 13.281 1.896 403 2HD PRO 52 2HD PRO 52 61.404 13.381 2.799 404 H THR 53 H THR 53 65.117 15.180 6.685 405 HA THR 53 HA THR 53 67.404 15.982 5.238 406 HB THR 53 HB THR 53 68.434 15.137 7.593 407 HG1 THR 53 HG1 THR 53 66.281 14.091 7.897 408 1HG2 THR 53 1HG2 THR 53 66.877 17.506 6.731 409 2HG2 THR 53 2HG2 THR 53 67.085 17.320 8.472 410 3HG2 THR 53 3HG2 THR 53 68.497 17.412 7.420 411 HA PRO 54 HA PRO 54 69.467 12.296 4.045 412 1HB PRO 54 1HB PRO 54 72.063 12.730 4.799 413 2HB PRO 54 2HB PRO 54 71.299 13.576 3.439 414 1HG PRO 54 1HG PRO 54 71.792 14.522 6.217 415 2HG PRO 54 2HG PRO 54 71.919 15.401 4.686 416 1HD PRO 54 1HD PRO 54 69.798 15.641 6.382 417 2HD PRO 54 2HD PRO 54 69.682 15.885 4.626 418 H GLU 55 H GLU 55 69.547 13.255 7.370 419 HA GLU 55 HA GLU 55 70.785 10.796 8.380 420 1HB GLU 55 1HB GLU 55 69.214 13.028 9.714 421 2HB GLU 55 2HB GLU 55 70.196 11.825 10.553 422 1HG GLU 55 1HG GLU 55 71.174 13.912 8.584 423 2HG GLU 55 2HG GLU 55 71.515 13.847 10.313 424 H GLU 56 H GLU 56 67.493 12.132 8.093 425 HA GLU 56 HA GLU 56 66.133 10.021 9.486 426 1HB GLU 56 1HB GLU 56 65.467 12.165 7.492 427 2HB GLU 56 2HB GLU 56 64.247 10.946 7.867 428 1HG GLU 56 1HG GLU 56 64.460 11.472 10.270 429 2HG GLU 56 2HG GLU 56 65.671 12.697 9.894 430 H LEU 57 H LEU 57 66.924 10.509 6.038 431 HA LEU 57 HA LEU 57 65.585 8.280 4.931 432 1HB LEU 57 1HB LEU 57 67.688 10.164 4.267 433 2HB LEU 57 2HB LEU 57 68.065 8.568 3.616 434 HG LEU 57 HG LEU 57 65.450 10.055 3.221 435 1HD1 LEU 57 1HD1 LEU 57 67.992 10.080 1.802 436 2HD1 LEU 57 2HD1 LEU 57 66.677 9.532 0.762 437 3HD1 LEU 57 3HD1 LEU 57 66.572 11.098 1.564 438 1HD2 LEU 57 1HD2 LEU 57 66.479 7.378 2.235 439 2HD2 LEU 57 2HD2 LEU 57 65.054 7.672 3.231 440 3HD2 LEU 57 3HD2 LEU 57 65.074 8.191 1.545 441 H GLN 58 H GLN 58 69.049 8.410 5.878 442 HA GLN 58 HA GLN 58 69.671 5.689 5.614 443 1HB GLN 58 1HB GLN 58 70.926 7.940 6.459 444 2HB GLN 58 2HB GLN 58 70.704 7.122 8.008 445 1HG GLN 58 1HG GLN 58 71.960 5.861 5.552 446 2HG GLN 58 2HG GLN 58 72.862 6.512 6.922 447 1HE2 GLN 58 2HE2 GLN 58 70.765 3.857 5.881 448 2HE2 GLN 58 1HE2 GLN 58 71.000 2.896 7.260 449 H GLU 59 H GLU 59 68.507 7.330 8.585 450 HA GLU 59 HA GLU 59 68.243 5.034 10.223 451 1HB GLU 59 1HB GLU 59 68.055 7.490 10.824 452 2HB GLU 59 2HB GLU 59 66.431 7.467 10.133 453 1HG GLU 59 1HG GLU 59 65.639 6.683 12.085 454 2HG GLU 59 2HG GLU 59 66.617 5.230 11.874 455 H MET 60 H MET 60 65.785 6.603 8.136 456 HA MET 60 HA MET 60 63.576 4.976 8.528 457 1HB MET 60 1HB MET 60 64.798 6.479 6.279 458 2HB MET 60 2HB MET 60 63.563 5.308 5.821 459 1HG MET 60 1HG MET 60 62.691 6.761 8.151 460 2HG MET 60 2HG MET 60 63.160 7.900 6.889 461 1HE MET 60 1HE MET 60 62.526 8.180 4.951 462 2HE MET 60 2HE MET 60 61.673 7.061 3.891 463 3HE MET 60 3HE MET 60 60.787 8.344 4.726 464 H ILE 61 H ILE 61 66.356 4.281 6.384 465 HA ILE 61 HA ILE 61 65.424 1.708 5.499 466 HB ILE 61 HB ILE 61 68.014 3.233 5.612 467 1HG1 ILE 61 1HG1 ILE 61 67.647 2.396 3.056 468 2HG1 ILE 61 2HG1 ILE 61 65.976 2.406 3.621 469 1HG2 ILE 61 1HG2 ILE 61 67.690 0.288 5.167 470 2HG2 ILE 61 2HG2 ILE 61 68.849 1.166 4.169 471 3HG2 ILE 61 3HG2 ILE 61 69.020 1.166 5.924 472 1HD1 ILE 61 1HD1 ILE 61 67.782 4.753 4.163 473 2HD1 ILE 61 2HD1 ILE 61 66.954 4.599 2.614 474 3HD1 ILE 61 3HD1 ILE 61 66.020 4.704 4.106 475 H ASP 62 H ASP 62 67.660 2.691 8.117 476 HA ASP 62 HA ASP 62 68.412 0.168 9.100 477 1HB ASP 62 1HB ASP 62 69.026 2.611 9.771 478 2HB ASP 62 2HB ASP 62 67.658 2.487 10.879 479 H GLU 63 H GLU 63 65.309 1.736 9.202 480 HA GLU 63 HA GLU 63 64.137 0.414 11.454 481 1HB GLU 63 1HB GLU 63 63.410 2.381 9.809 482 2HB GLU 63 2HB GLU 63 62.580 1.064 8.978 483 1HG GLU 63 1HG GLU 63 62.287 1.665 11.934 484 2HG GLU 63 2HG GLU 63 61.150 2.197 10.695 485 H VAL 64 H VAL 64 65.052 -0.754 8.335 486 HA VAL 64 HA VAL 64 63.732 -3.365 8.943 487 HB VAL 64 HB VAL 64 63.120 -3.432 6.485 488 1HG1 VAL 64 1HG1 VAL 64 61.866 -2.117 8.646 489 2HG1 VAL 64 2HG1 VAL 64 61.666 -1.053 7.255 490 3HG1 VAL 64 3HG1 VAL 64 61.099 -2.720 7.178 491 1HG2 VAL 64 1HG2 VAL 64 64.849 -1.582 5.972 492 2HG2 VAL 64 2HG2 VAL 64 63.290 -1.473 5.155 493 3HG2 VAL 64 3HG2 VAL 64 63.626 -0.453 6.555 494 H ASP 65 H ASP 65 66.481 -2.702 9.328 495 HA ASP 65 HA ASP 65 67.762 -4.304 7.135 496 1HB ASP 65 1HB ASP 65 68.208 -1.758 7.320 497 2HB ASP 65 2HB ASP 65 69.119 -2.158 8.777 498 H GLU 66 H GLU 66 67.934 -6.294 8.184 499 HA GLU 66 HA GLU 66 68.900 -6.368 10.998 500 1HB GLU 66 1HB GLU 66 67.397 -8.094 9.108 501 2HB GLU 66 2HB GLU 66 68.449 -8.946 10.240 502 1HG GLU 66 1HG GLU 66 66.910 -6.791 11.501 503 2HG GLU 66 2HG GLU 66 65.895 -8.056 10.807 504 H ASP 67 H ASP 67 70.889 -5.486 9.242 505 HA ASP 67 HA ASP 67 72.830 -7.720 9.432 506 1HB ASP 67 1HB ASP 67 73.456 -7.275 7.004 507 2HB ASP 67 2HB ASP 67 71.883 -8.040 7.238 508 H GLY 68 H GLY 68 72.240 -4.338 8.459 509 1HA GLY 68 1HA GLY 68 73.463 -2.489 9.450 510 2HA GLY 68 2HA GLY 68 74.783 -3.601 9.814 511 H SER 69 H SER 69 73.179 -3.554 6.690 512 HA SER 69 HA SER 69 75.761 -2.975 5.384 513 1HB SER 69 1HB SER 69 74.283 -3.425 3.343 514 2HB SER 69 2HB SER 69 74.420 -4.751 4.493 515 HG SER 69 HG SER 69 72.266 -3.119 3.870 516 H GLY 70 H GLY 70 72.859 -1.285 6.265 517 1HA GLY 70 1HA GLY 70 72.516 1.066 6.163 518 2HA GLY 70 2HA GLY 70 73.949 1.202 5.142 519 H THR 71 H THR 71 72.287 -1.248 3.770 520 HA THR 71 HA THR 71 70.724 0.608 2.000 521 HB THR 71 HB THR 71 71.379 -0.989 0.188 522 HG1 THR 71 HG1 THR 71 73.245 -2.075 1.973 523 1HG2 THR 71 1HG2 THR 71 72.744 1.062 0.865 524 2HG2 THR 71 2HG2 THR 71 73.817 -0.055 1.709 525 3HG2 THR 71 3HG2 THR 71 73.610 -0.181 -0.037 526 H VAL 72 H VAL 72 69.103 -0.861 0.636 527 HA VAL 72 HA VAL 72 67.892 -2.929 2.431 528 HB VAL 72 HB VAL 72 66.612 -0.534 1.087 529 1HG1 VAL 72 1HG1 VAL 72 65.495 -3.134 1.643 530 2HG1 VAL 72 2HG1 VAL 72 64.737 -1.930 2.683 531 3HG1 VAL 72 3HG1 VAL 72 64.708 -1.726 0.932 532 1HG2 VAL 72 1HG2 VAL 72 66.832 -1.464 3.966 533 2HG2 VAL 72 2HG2 VAL 72 67.651 -0.077 3.249 534 3HG2 VAL 72 3HG2 VAL 72 65.898 -0.066 3.435 535 H ASP 73 H ASP 73 66.786 -4.593 1.309 536 HA ASP 73 HA ASP 73 67.129 -4.573 -1.675 537 1HB ASP 73 1HB ASP 73 68.062 -6.319 0.412 538 2HB ASP 73 2HB ASP 73 66.960 -7.217 -0.632 539 H PHE 74 H PHE 74 65.505 -6.022 -2.792 540 HA PHE 74 HA PHE 74 62.841 -5.352 -2.333 541 1HB PHE 74 1HB PHE 74 63.623 -6.423 -4.359 542 2HB PHE 74 2HB PHE 74 64.101 -7.866 -3.466 543 HD1 PHE 74 HD1 PHE 74 61.062 -5.711 -3.953 544 HD2 PHE 74 HD2 PHE 74 62.642 -9.678 -3.487 545 HE1 PHE 74 HE1 PHE 74 58.788 -6.653 -4.253 546 HE2 PHE 74 HE2 PHE 74 60.369 -10.620 -3.786 547 HZ PHE 74 HZ PHE 74 58.440 -9.107 -4.169 548 H ASP 75 H ASP 75 64.789 -7.707 -0.635 549 HA ASP 75 HA ASP 75 62.591 -9.204 0.539 550 1HB ASP 75 1HB ASP 75 65.529 -8.830 1.183 551 2HB ASP 75 2HB ASP 75 64.493 -9.959 2.056 552 H GLU 76 H GLU 76 64.860 -6.780 1.906 553 HA GLU 76 HA GLU 76 63.468 -6.494 4.402 554 1HB GLU 76 1HB GLU 76 65.360 -4.712 2.838 555 2HB GLU 76 2HB GLU 76 64.891 -4.412 4.511 556 1HG GLU 76 1HG GLU 76 65.718 -6.735 5.064 557 2HG GLU 76 2HG GLU 76 66.377 -6.818 3.429 558 H PHE 77 H PHE 77 63.378 -4.580 1.382 559 HA PHE 77 HA PHE 77 61.737 -2.456 2.066 560 1HB PHE 77 1HB PHE 77 62.656 -2.818 -0.157 561 2HB PHE 77 2HB PHE 77 61.675 -4.268 -0.368 562 HD1 PHE 77 HD1 PHE 77 59.099 -3.987 -0.215 563 HD2 PHE 77 HD2 PHE 77 61.824 -0.721 -0.815 564 HE1 PHE 77 HE1 PHE 77 57.242 -2.602 -1.102 565 HE2 PHE 77 HE2 PHE 77 59.968 0.664 -1.701 566 HZ PHE 77 HZ PHE 77 57.677 -0.275 -1.844 567 H LEU 78 H LEU 78 60.580 -5.707 1.082 568 HA LEU 78 HA LEU 78 57.810 -5.300 1.366 569 1HB LEU 78 1HB LEU 78 59.706 -7.610 1.687 570 2HB LEU 78 2HB LEU 78 57.995 -7.845 2.047 571 HG LEU 78 HG LEU 78 59.137 -6.805 -0.562 572 1HD1 LEU 78 1HD1 LEU 78 58.154 -9.460 0.403 573 2HD1 LEU 78 2HD1 LEU 78 57.792 -8.996 -1.259 574 3HD1 LEU 78 3HD1 LEU 78 59.467 -9.089 -0.715 575 1HD2 LEU 78 1HD2 LEU 78 56.408 -6.867 0.612 576 2HD2 LEU 78 2HD2 LEU 78 57.087 -5.780 -0.601 577 3HD2 LEU 78 3HD2 LEU 78 56.539 -7.391 -1.066 578 H VAL 79 H VAL 79 60.230 -6.076 3.864 579 HA VAL 79 HA VAL 79 58.350 -6.442 6.020 580 HB VAL 79 HB VAL 79 61.239 -5.518 6.090 581 1HG1 VAL 79 1HG1 VAL 79 59.405 -6.913 8.050 582 2HG1 VAL 79 2HG1 VAL 79 61.160 -6.927 8.227 583 3HG1 VAL 79 3HG1 VAL 79 60.282 -5.399 8.274 584 1HG2 VAL 79 1HG2 VAL 79 59.983 -8.219 5.619 585 2HG2 VAL 79 2HG2 VAL 79 61.307 -7.451 4.743 586 3HG2 VAL 79 3HG2 VAL 79 61.575 -8.087 6.365 587 H MET 80 H MET 80 59.903 -3.623 4.588 588 HA MET 80 HA MET 80 59.268 -1.782 6.747 589 1HB MET 80 1HB MET 80 61.088 -1.559 5.022 590 2HB MET 80 2HB MET 80 59.840 -1.275 3.808 591 1HG MET 80 1HG MET 80 59.116 0.738 4.903 592 2HG MET 80 2HG MET 80 60.106 0.393 6.321 593 1HE MET 80 1HE MET 80 59.656 1.205 2.882 594 2HE MET 80 2HE MET 80 60.938 2.334 2.449 595 3HE MET 80 3HE MET 80 61.153 0.599 2.179 596 H MET 81 H MET 81 57.307 -3.393 4.564 597 HA MET 81 HA MET 81 55.358 -1.144 4.303 598 1HB MET 81 1HB MET 81 55.788 -3.814 2.949 599 2HB MET 81 2HB MET 81 54.310 -2.882 2.708 600 1HG MET 81 1HG MET 81 57.125 -1.889 2.173 601 2HG MET 81 2HG MET 81 55.960 -2.381 0.944 602 1HE MET 81 1HE MET 81 56.579 -0.465 -0.112 603 2HE MET 81 2HE MET 81 55.591 0.993 -0.071 604 3HE MET 81 3HE MET 81 57.099 0.935 0.837 605 H VAL 82 H VAL 82 55.790 -4.362 5.690 606 HA VAL 82 HA VAL 82 53.037 -4.809 6.443 607 HB VAL 82 HB VAL 82 55.611 -5.830 7.691 608 1HG1 VAL 82 1HG1 VAL 82 53.446 -6.265 8.908 609 2HG1 VAL 82 2HG1 VAL 82 52.879 -7.126 7.478 610 3HG1 VAL 82 3HG1 VAL 82 54.275 -7.727 8.374 611 1HG2 VAL 82 1HG2 VAL 82 54.015 -6.895 5.338 612 2HG2 VAL 82 2HG2 VAL 82 55.608 -6.144 5.242 613 3HG2 VAL 82 3HG2 VAL 82 55.409 -7.687 6.071 614 H ARG 83 H ARG 83 55.822 -3.324 8.068 615 HA ARG 83 HA ARG 83 54.616 -2.996 10.651 616 1HB ARG 83 1HB ARG 83 56.760 -1.429 9.182 617 2HB ARG 83 2HB ARG 83 56.472 -1.359 10.921 618 1HG ARG 83 1HG ARG 83 56.708 -3.990 10.741 619 2HG ARG 83 2HG ARG 83 57.608 -3.592 9.276 620 1HD ARG 83 1HD ARG 83 59.410 -2.990 10.505 621 2HD ARG 83 2HD ARG 83 58.426 -1.850 11.445 622 HE ARG 83 HE ARG 83 57.627 -4.024 12.670 623 1HH1 ARG 83 1HH2 ARG 83 60.250 -2.738 13.567 624 2HH1 ARG 83 2HH2 ARG 83 61.285 -4.125 13.653 625 1HH2 ARG 83 1HH1 ARG 83 59.171 -6.150 11.795 626 2HH2 ARG 83 2HH1 ARG 83 60.673 -6.056 12.651 627 H CYS 84 H CYS 84 54.024 -1.396 7.656 628 HA CYS 84 HA CYS 84 52.691 0.874 9.099 629 1HB CYS 84 1HB CYS 84 54.051 0.588 6.417 630 2HB CYS 84 2HB CYS 84 52.969 1.939 6.756 631 HG CYS 84 HG CYS 84 55.758 1.519 8.007 632 H MET 85 H MET 85 51.869 -2.009 7.894 633 HA MET 85 HA MET 85 49.962 -1.769 5.880 634 1HB MET 85 1HB MET 85 50.329 -3.417 8.337 635 2HB MET 85 2HB MET 85 48.758 -3.519 7.542 636 1HG MET 85 1HG MET 85 51.419 -3.908 6.140 637 2HG MET 85 2HG MET 85 50.376 -5.220 6.691 638 1HE MET 85 1HE MET 85 49.088 -6.366 5.402 639 2HE MET 85 2HE MET 85 47.659 -5.384 5.757 640 3HE MET 85 3HE MET 85 48.013 -5.865 4.100 641 H LYS 86 H LYS 86 47.813 -1.023 5.774 642 HA LYS 86 HA LYS 86 46.285 -0.263 8.129 643 1HB LYS 86 1HB LYS 86 48.280 1.495 7.311 644 2HB LYS 86 2HB LYS 86 46.822 2.164 6.578 645 1HG LYS 86 1HG LYS 86 45.759 2.458 8.650 646 2HG LYS 86 2HG LYS 86 46.807 1.293 9.459 647 1HD LYS 86 1HD LYS 86 48.428 3.387 8.344 648 2HD LYS 86 2HD LYS 86 47.140 4.109 9.309 649 1HE LYS 86 1HE LYS 86 48.799 3.704 10.932 650 2HE LYS 86 2HE LYS 86 47.805 2.238 11.059 651 1HZ LYS 86 1HZ LYS 86 49.323 1.444 9.123 652 2HZ LYS 86 2HZ LYS 86 50.399 2.608 9.722 653 3HZ LYS 86 3HZ LYS 86 49.879 1.338 10.724 654 H ASP 87 H ASP 87 44.713 1.757 6.915 655 HA ASP 87 HA ASP 87 42.967 2.058 5.349 656 1HB ASP 87 1HB ASP 87 45.178 1.480 3.930 657 2HB ASP 87 2HB ASP 87 44.212 0.064 3.514 658 H ASP 88 H ASP 88 44.017 -1.358 4.994 659 HA ASP 88 HA ASP 88 42.763 -3.354 5.186 660 1HB ASP 88 1HB ASP 88 42.652 -2.173 7.491 661 2HB ASP 88 2HB ASP 88 41.007 -1.729 7.034 662 H SER 89 H SER 89 42.087 -1.906 2.920 663 HA SER 89 HA SER 89 39.269 -2.666 2.551 664 1HB SER 89 1HB SER 89 40.250 0.201 2.502 665 2HB SER 89 2HB SER 89 38.698 -0.302 1.838 666 HG SER 89 HG SER 89 37.979 -0.750 3.822 667 1H ARG 1 1H ARG 1 58.830 9.546 7.161 668 2H ARG 1 2H ARG 1 57.343 9.732 7.958 669 3H ARG 1 3H ARG 1 58.728 9.282 8.836 670 HA ARG 1 HA ARG 1 58.794 7.140 7.841 671 1HB ARG 1 1HB ARG 1 56.045 8.119 8.662 672 2HB ARG 1 2HB ARG 1 56.450 6.411 8.495 673 1HG ARG 1 1HG ARG 1 57.607 6.381 10.442 674 2HG ARG 1 2HG ARG 1 58.401 7.916 10.089 675 1HD ARG 1 1HD ARG 1 56.329 9.128 10.747 676 2HD ARG 1 2HD ARG 1 55.579 7.574 11.166 677 HE ARG 1 HE ARG 1 58.020 7.551 12.507 678 1HH1 ARG 1 1HH2 ARG 1 55.296 7.616 13.849 679 2HH1 ARG 1 2HH2 ARG 1 55.430 9.044 14.820 680 1HH2 ARG 1 1HH1 ARG 1 58.191 10.266 13.113 681 2HH2 ARG 1 2HH1 ARG 1 57.067 10.547 14.402 682 H ILE 2 H ILE 2 56.913 5.661 6.619 683 HA ILE 2 HA ILE 2 56.161 7.054 4.083 684 HB ILE 2 HB ILE 2 57.777 4.508 4.431 685 1HG1 ILE 2 1HG1 ILE 2 58.371 7.194 3.146 686 2HG1 ILE 2 2HG1 ILE 2 59.099 6.556 4.620 687 1HG2 ILE 2 1HG2 ILE 2 55.991 4.465 2.600 688 2HG2 ILE 2 2HG2 ILE 2 56.895 5.764 1.824 689 3HG2 ILE 2 3HG2 ILE 2 57.649 4.188 2.067 690 1HD1 ILE 2 1HD1 ILE 2 59.299 4.763 2.285 691 2HD1 ILE 2 2HD1 ILE 2 60.187 6.277 2.123 692 3HD1 ILE 2 3HD1 ILE 2 60.523 5.199 3.478 693 H SER 3 H SER 3 54.172 6.356 3.309 694 HA SER 3 HA SER 3 52.815 4.187 4.857 695 1HB SER 3 1HB SER 3 52.115 6.787 3.727 696 2HB SER 3 2HB SER 3 50.966 5.538 3.257 697 HG SER 3 HG SER 3 50.247 5.557 5.222 698 H ALA 4 H ALA 4 50.976 3.184 3.292 699 HA ALA 4 HA ALA 4 52.463 2.062 0.961 700 1HB ALA 4 1HB ALA 4 50.964 0.984 3.050 701 2HB ALA 4 2HB ALA 4 49.875 0.894 1.666 702 3HB ALA 4 3HB ALA 4 51.461 0.126 1.592 703 H ASP 5 H ASP 5 49.331 3.541 1.830 704 HA ASP 5 HA ASP 5 48.432 3.556 -0.973 705 1HB ASP 5 1HB ASP 5 46.477 4.743 0.098 706 2HB ASP 5 2HB ASP 5 46.844 3.176 0.819 707 H ALA 6 H ALA 6 50.167 5.665 1.174 708 HA ALA 6 HA ALA 6 49.538 8.124 -0.320 709 1HB ALA 6 1HB ALA 6 51.228 7.294 2.025 710 2HB ALA 6 2HB ALA 6 51.498 8.871 1.281 711 3HB ALA 6 3HB ALA 6 49.920 8.476 1.964 712 H MET 7 H MET 7 52.480 6.162 0.264 713 HA MET 7 HA MET 7 54.277 7.491 -1.427 714 1HB MET 7 1HB MET 7 54.416 5.397 0.178 715 2HB MET 7 2HB MET 7 54.160 4.491 -1.314 716 1HG MET 7 1HG MET 7 56.076 6.325 -2.067 717 2HG MET 7 2HG MET 7 56.536 5.964 -0.403 718 1HE MET 7 1HE MET 7 57.628 5.494 -3.436 719 2HE MET 7 2HE MET 7 57.827 3.797 -3.893 720 3HE MET 7 3HE MET 7 56.265 4.588 -4.088 721 H MET 8 H MET 8 51.618 5.348 -2.279 722 HA MET 8 HA MET 8 52.494 5.051 -5.071 723 1HB MET 8 1HB MET 8 49.968 4.308 -3.561 724 2HB MET 8 2HB MET 8 50.341 3.792 -5.206 725 1HG MET 8 1HG MET 8 52.087 3.219 -2.795 726 2HG MET 8 2HG MET 8 50.942 2.073 -3.491 727 1HE MET 8 1HE MET 8 53.946 4.349 -4.050 728 2HE MET 8 2HE MET 8 54.498 2.869 -3.269 729 3HE MET 8 3HE MET 8 55.065 3.280 -4.893 730 H GLN 9 H GLN 9 49.642 6.522 -3.456 731 HA GLN 9 HA GLN 9 48.543 7.775 -5.753 732 1HB GLN 9 1HB GLN 9 47.338 7.516 -3.666 733 2HB GLN 9 2HB GLN 9 48.532 8.487 -2.804 734 1HG GLN 9 1HG GLN 9 47.520 9.949 -5.085 735 2HG GLN 9 2HG GLN 9 46.185 9.411 -4.064 736 1HE2 GLN 9 2HE2 GLN 9 47.032 9.622 -1.510 737 2HE2 GLN 9 1HE2 GLN 9 47.594 11.183 -1.149 738 H ALA 10 H ALA 10 51.161 8.788 -3.606 739 HA ALA 10 HA ALA 10 51.294 11.494 -4.753 740 1HB ALA 10 1HB ALA 10 52.404 9.937 -2.531 741 2HB ALA 10 2HB ALA 10 53.590 11.008 -3.276 742 3HB ALA 10 3HB ALA 10 52.087 11.669 -2.634 743 H LEU 11 H LEU 11 53.548 8.704 -4.625 744 HA LEU 11 HA LEU 11 55.196 9.866 -6.766 745 1HB LEU 11 1HB LEU 11 56.069 8.671 -4.754 746 2HB LEU 11 2HB LEU 11 55.311 7.191 -5.341 747 HG LEU 11 HG LEU 11 56.673 7.904 -7.562 748 1HD1 LEU 11 1HD1 LEU 11 57.646 9.671 -5.595 749 2HD1 LEU 11 2HD1 LEU 11 58.894 8.442 -5.784 750 3HD1 LEU 11 3HD1 LEU 11 58.349 9.365 -7.183 751 1HD2 LEU 11 1HD2 LEU 11 57.236 6.182 -5.210 752 2HD2 LEU 11 2HD2 LEU 11 57.141 5.755 -6.919 753 3HD2 LEU 11 3HD2 LEU 11 58.608 6.494 -6.275 754 H LEU 12 H LEU 12 52.895 7.183 -6.390 755 HA LEU 12 HA LEU 12 53.232 6.556 -9.301 756 1HB LEU 12 1HB LEU 12 52.209 4.998 -6.910 757 2HB LEU 12 2HB LEU 12 52.106 4.400 -8.564 758 HG LEU 12 HG LEU 12 54.114 3.484 -7.588 759 1HD1 LEU 12 1HD1 LEU 12 54.090 4.733 -9.944 760 2HD1 LEU 12 2HD1 LEU 12 55.267 5.768 -9.134 761 3HD1 LEU 12 3HD1 LEU 12 55.573 4.037 -9.291 762 1HD2 LEU 12 1HD2 LEU 12 54.144 5.602 -5.938 763 2HD2 LEU 12 2HD2 LEU 12 55.594 4.651 -6.258 764 3HD2 LEU 12 3HD2 LEU 12 55.328 6.170 -7.114 765 H GLY 13 H GLY 13 51.443 8.659 -7.787 766 1HA GLY 13 1HA GLY 13 48.979 7.961 -9.312 767 2HA GLY 13 2HA GLY 13 48.834 8.442 -7.622 768 H ALA 14 H ALA 14 50.146 9.595 -10.738 769 HA ALA 14 HA ALA 14 49.823 12.403 -9.759 770 1HB ALA 14 1HB ALA 14 51.543 10.937 -11.702 771 2HB ALA 14 2HB ALA 14 51.128 12.601 -12.113 772 3HB ALA 14 3HB ALA 14 51.964 12.250 -10.600 773 H ARG 15 H ARG 15 47.440 11.012 -10.426 774 HA ARG 15 HA ARG 15 45.509 11.262 -11.763 775 1HB ARG 15 1HB ARG 15 47.095 13.704 -12.627 776 2HB ARG 15 2HB ARG 15 45.359 13.481 -12.850 777 1HG ARG 15 1HG ARG 15 46.674 13.349 -10.130 778 2HG ARG 15 2HG ARG 15 46.051 14.853 -10.808 779 1HD ARG 15 1HD ARG 15 43.954 13.068 -11.212 780 2HD ARG 15 2HD ARG 15 44.577 12.627 -9.609 781 HE ARG 15 HE ARG 15 43.572 15.321 -10.380 782 1HH1 ARG 15 1HH1 ARG 15 45.994 14.893 -8.396 783 2HH1 ARG 15 2HH1 ARG 15 45.162 15.111 -6.893 784 1HH2 ARG 15 1HH2 ARG 15 42.004 14.841 -8.302 785 2HH2 ARG 15 2HH2 ARG 15 42.902 15.079 -6.840 786 H ALA 16 H ALA 16 47.612 9.580 -12.807 787 HA ALA 16 HA ALA 16 48.426 10.041 -15.458 788 1HB ALA 16 1HB ALA 16 48.906 8.122 -13.806 789 2HB ALA 16 2HB ALA 16 47.413 7.396 -14.399 790 3HB ALA 16 3HB ALA 16 48.754 7.680 -15.507 791 H LYS 17 H LYS 17 47.472 9.320 -17.498 792 HA LYS 17 HA LYS 17 44.636 9.915 -17.727 793 1HB LYS 17 1HB LYS 17 45.093 9.485 -20.112 794 2HB LYS 17 2HB LYS 17 46.379 10.467 -19.410 795 1HG LYS 17 1HG LYS 17 47.417 8.043 -18.919 796 2HG LYS 17 2HG LYS 17 46.448 7.634 -20.335 797 1HD LYS 17 1HD LYS 17 48.367 9.975 -20.258 798 2HD LYS 17 2HD LYS 17 48.813 8.375 -20.854 799 1HE LYS 17 1HE LYS 17 47.846 8.816 -22.853 800 2HE LYS 17 2HE LYS 17 46.310 9.207 -22.054 801 1HZ LYS 17 1HZ LYS 17 48.483 11.124 -21.745 802 2HZ LYS 17 2HZ LYS 17 47.769 11.039 -23.285 803 3HZ LYS 17 3HZ LYS 17 46.816 11.396 -21.928 Start of MODEL 14 1 1H MET 1 1H MET 1 55.351 -15.862 15.235 2 2H MET 1 2H MET 1 55.103 -16.786 16.636 3 3H MET 1 3H MET 1 54.132 -15.425 16.333 4 HA MET 1 HA MET 1 55.676 -13.965 17.079 5 1HB MET 1 1HB MET 1 55.251 -15.541 18.882 6 2HB MET 1 2HB MET 1 56.456 -16.657 18.240 7 1HG MET 1 1HG MET 1 57.875 -15.633 19.689 8 2HG MET 1 2HG MET 1 57.920 -14.350 18.480 9 1HE MET 1 1HE MET 1 58.899 -13.593 20.581 10 2HE MET 1 2HE MET 1 58.110 -12.020 20.764 11 3HE MET 1 3HE MET 1 58.065 -13.191 22.080 12 H ASP 2 H ASP 2 57.911 -16.725 17.004 13 HA ASP 2 HA ASP 2 60.243 -15.437 16.290 14 1HB ASP 2 1HB ASP 2 60.323 -17.745 16.775 15 2HB ASP 2 2HB ASP 2 59.067 -18.127 15.597 16 H ASP 3 H ASP 3 60.471 -13.917 14.680 17 HA ASP 3 HA ASP 3 60.423 -12.958 12.520 18 1HB ASP 3 1HB ASP 3 61.229 -15.544 12.336 19 2HB ASP 3 2HB ASP 3 59.795 -15.598 11.310 20 H ILE 4 H ILE 4 58.140 -12.298 13.575 21 HA ILE 4 HA ILE 4 55.751 -13.527 12.513 22 HB ILE 4 HB ILE 4 55.861 -12.157 14.564 23 1HG1 ILE 4 1HG1 ILE 4 54.167 -10.936 12.361 24 2HG1 ILE 4 2HG1 ILE 4 53.711 -12.293 13.390 25 1HG2 ILE 4 1HG2 ILE 4 56.645 -10.003 12.591 26 2HG2 ILE 4 2HG2 ILE 4 56.022 -9.626 14.197 27 3HG2 ILE 4 3HG2 ILE 4 57.525 -10.534 14.025 28 1HD1 ILE 4 1HD1 ILE 4 54.075 -10.729 15.378 29 2HD1 ILE 4 2HD1 ILE 4 54.151 -9.414 14.204 30 3HD1 ILE 4 3HD1 ILE 4 52.678 -10.372 14.364 31 H TYR 5 H TYR 5 57.919 -10.985 11.371 32 HA TYR 5 HA TYR 5 56.190 -9.890 9.342 33 1HB TYR 5 1HB TYR 5 59.217 -10.063 9.531 34 2HB TYR 5 2HB TYR 5 58.313 -8.930 8.527 35 HD1 TYR 5 HD1 TYR 5 56.401 -7.598 9.885 36 HD2 TYR 5 HD2 TYR 5 59.960 -9.290 11.595 37 HE1 TYR 5 HE1 TYR 5 56.219 -6.040 11.805 38 HE2 TYR 5 HE2 TYR 5 59.778 -7.731 13.515 39 HH TYR 5 HH TYR 5 58.775 -5.705 14.147 40 H LYS 6 H LYS 6 58.889 -12.243 9.123 41 HA LYS 6 HA LYS 6 58.859 -12.880 6.429 42 1HB LYS 6 1HB LYS 6 59.500 -14.182 8.976 43 2HB LYS 6 2HB LYS 6 59.078 -15.338 7.712 44 1HG LYS 6 1HG LYS 6 61.047 -13.089 7.252 45 2HG LYS 6 2HG LYS 6 61.545 -14.676 7.839 46 1HD LYS 6 1HD LYS 6 61.265 -15.646 5.807 47 2HD LYS 6 2HD LYS 6 59.754 -14.786 5.509 48 1HE LYS 6 1HE LYS 6 60.917 -12.820 4.754 49 2HE LYS 6 2HE LYS 6 62.476 -13.456 5.317 50 1HZ LYS 6 1HZ LYS 6 61.928 -15.444 3.834 51 2HZ LYS 6 2HZ LYS 6 60.789 -14.426 3.092 52 3HZ LYS 6 3HZ LYS 6 62.434 -14.015 3.068 53 H ALA 7 H ALA 7 56.416 -13.690 8.832 54 HA ALA 7 HA ALA 7 55.039 -15.681 7.224 55 1HB ALA 7 1HB ALA 7 55.056 -14.875 9.834 56 2HB ALA 7 2HB ALA 7 53.565 -14.123 9.268 57 3HB ALA 7 3HB ALA 7 53.780 -15.868 9.127 58 H ALA 8 H ALA 8 53.938 -12.420 8.240 59 HA ALA 8 HA ALA 8 51.771 -12.092 6.537 60 1HB ALA 8 1HB ALA 8 52.925 -10.565 8.328 61 2HB ALA 8 2HB ALA 8 53.786 -9.889 6.945 62 3HB ALA 8 3HB ALA 8 52.026 -9.801 7.017 63 H VAL 9 H VAL 9 55.204 -11.870 5.715 64 HA VAL 9 HA VAL 9 54.928 -10.683 3.120 65 HB VAL 9 HB VAL 9 56.992 -12.698 4.050 66 1HG1 VAL 9 1HG1 VAL 9 56.855 -10.520 1.986 67 2HG1 VAL 9 2HG1 VAL 9 58.410 -10.929 2.711 68 3HG1 VAL 9 3HG1 VAL 9 57.495 -12.158 1.837 69 1HG2 VAL 9 1HG2 VAL 9 56.231 -10.271 5.318 70 2HG2 VAL 9 2HG2 VAL 9 57.642 -11.269 5.667 71 3HG2 VAL 9 3HG2 VAL 9 57.759 -9.958 4.494 72 H GLU 10 H GLU 10 55.366 -14.127 4.031 73 HA GLU 10 HA GLU 10 54.940 -15.165 1.389 74 1HB GLU 10 1HB GLU 10 55.814 -16.088 3.797 75 2HB GLU 10 2HB GLU 10 54.201 -16.801 3.750 76 1HG GLU 10 1HG GLU 10 54.725 -17.680 1.456 77 2HG GLU 10 2HG GLU 10 56.378 -17.100 1.663 78 H GLN 11 H GLN 11 52.758 -13.753 3.583 79 HA GLN 11 HA GLN 11 50.433 -15.239 2.415 80 1HB GLN 11 1HB GLN 11 50.641 -13.468 4.872 81 2HB GLN 11 2HB GLN 11 49.261 -14.473 4.424 82 1HG GLN 11 1HG GLN 11 51.151 -16.371 4.393 83 2HG GLN 11 2HG GLN 11 51.904 -15.275 5.552 84 1HE2 GLN 11 1HE2 GLN 11 51.423 -17.138 7.124 85 2HE2 GLN 11 2HE2 GLN 11 49.883 -17.195 7.833 86 H LEU 12 H LEU 12 52.027 -12.869 1.265 87 HA LEU 12 HA LEU 12 50.229 -10.575 1.398 88 1HB LEU 12 1HB LEU 12 52.662 -11.408 -0.179 89 2HB LEU 12 2HB LEU 12 51.799 -9.924 -0.582 90 HG LEU 12 HG LEU 12 52.867 -10.594 2.176 91 1HD1 LEU 12 1HD1 LEU 12 53.928 -8.722 0.036 92 2HD1 LEU 12 2HD1 LEU 12 54.550 -8.836 1.682 93 3HD1 LEU 12 3HD1 LEU 12 54.699 -10.210 0.585 94 1HD2 LEU 12 1HD2 LEU 12 51.091 -8.533 1.081 95 2HD2 LEU 12 2HD2 LEU 12 51.383 -8.983 2.761 96 3HD2 LEU 12 3HD2 LEU 12 52.470 -7.858 1.947 97 H THR 13 H THR 13 48.721 -9.932 -0.170 98 HA THR 13 HA THR 13 47.507 -12.006 -1.792 99 HB THR 13 HB THR 13 46.505 -9.546 -2.608 100 HG1 THR 13 HG1 THR 13 46.358 -8.622 -0.339 101 1HG2 THR 13 1HG2 THR 13 45.806 -11.705 -0.769 102 2HG2 THR 13 2HG2 THR 13 45.105 -10.158 -0.292 103 3HG2 THR 13 3HG2 THR 13 44.781 -10.815 -1.896 104 H GLU 14 H GLU 14 47.590 -12.238 -4.053 105 HA GLU 14 HA GLU 14 49.899 -11.845 -5.507 106 1HB GLU 14 1HB GLU 14 47.249 -12.639 -5.950 107 2HB GLU 14 2HB GLU 14 47.535 -11.367 -7.138 108 1HG GLU 14 1HG GLU 14 49.367 -12.516 -8.099 109 2HG GLU 14 2HG GLU 14 49.525 -13.595 -6.713 110 H GLU 15 H GLU 15 47.116 -9.574 -5.551 111 HA GLU 15 HA GLU 15 48.408 -7.587 -7.166 112 1HB GLU 15 1HB GLU 15 45.911 -8.088 -6.148 113 2HB GLU 15 2HB GLU 15 46.413 -6.703 -5.177 114 1HG GLU 15 1HG GLU 15 46.379 -5.276 -6.955 115 2HG GLU 15 2HG GLU 15 47.007 -6.492 -8.068 116 H GLN 16 H GLN 16 48.219 -8.028 -3.633 117 HA GLN 16 HA GLN 16 49.359 -5.537 -2.853 118 1HB GLN 16 1HB GLN 16 48.215 -7.331 -1.461 119 2HB GLN 16 2HB GLN 16 49.731 -8.232 -1.518 120 1HG GLN 16 1HG GLN 16 50.894 -6.596 -0.286 121 2HG GLN 16 2HG GLN 16 49.686 -5.354 -0.622 122 1HE2 GLN 16 2HE2 GLN 16 50.602 -6.178 2.061 123 2HE2 GLN 16 1HE2 GLN 16 49.239 -6.781 2.873 124 H LYS 17 H LYS 17 51.072 -8.697 -2.907 125 HA LYS 17 HA LYS 17 53.689 -7.643 -2.687 126 1HB LYS 17 1HB LYS 17 53.582 -9.927 -2.362 127 2HB LYS 17 2HB LYS 17 52.357 -10.147 -3.609 128 1HG LYS 17 1HG LYS 17 55.111 -9.314 -4.449 129 2HG LYS 17 2HG LYS 17 54.841 -10.997 -3.992 130 1HD LYS 17 1HD LYS 17 52.692 -10.057 -5.686 131 2HD LYS 17 2HD LYS 17 54.251 -9.809 -6.475 132 1HE LYS 17 1HE LYS 17 54.719 -12.081 -6.570 133 2HE LYS 17 2HE LYS 17 53.762 -12.440 -5.119 134 1HZ LYS 17 1HZ LYS 17 52.613 -11.500 -7.692 135 2HZ LYS 17 2HZ LYS 17 52.650 -13.125 -7.207 136 3HZ LYS 17 3HZ LYS 17 51.751 -11.995 -6.314 137 H ASN 18 H ASN 18 51.529 -7.830 -5.432 138 HA ASN 18 HA ASN 18 53.558 -7.421 -7.480 139 1HB ASN 18 1HB ASN 18 50.592 -7.527 -7.208 140 2HB ASN 18 2HB ASN 18 51.225 -6.677 -8.619 141 1HD2 ASN 18 2HD2 ASN 18 49.817 -9.287 -8.644 142 2HD2 ASN 18 1HD2 ASN 18 50.911 -10.412 -9.288 143 H GLU 19 H GLU 19 51.740 -5.363 -5.320 144 HA GLU 19 HA GLU 19 52.090 -2.907 -6.868 145 1HB GLU 19 1HB GLU 19 51.119 -3.720 -4.140 146 2HB GLU 19 2HB GLU 19 51.405 -2.014 -4.485 147 1HG GLU 19 1HG GLU 19 49.875 -2.102 -6.385 148 2HG GLU 19 2HG GLU 19 49.642 -3.834 -6.150 149 H PHE 20 H PHE 20 53.658 -4.385 -4.018 150 HA PHE 20 HA PHE 20 55.508 -2.210 -3.567 151 1HB PHE 20 1HB PHE 20 55.500 -5.148 -2.807 152 2HB PHE 20 2HB PHE 20 56.602 -3.950 -2.127 153 HD1 PHE 20 HD1 PHE 20 55.341 -1.701 -1.314 154 HD2 PHE 20 HD2 PHE 20 53.567 -5.603 -1.594 155 HE1 PHE 20 HE1 PHE 20 53.602 -1.028 0.321 156 HE2 PHE 20 HE2 PHE 20 51.828 -4.929 0.041 157 HZ PHE 20 HZ PHE 20 51.845 -2.643 0.998 158 H LYS 21 H LYS 21 55.909 -5.438 -5.086 159 HA LYS 21 HA LYS 21 58.580 -5.391 -5.811 160 1HB LYS 21 1HB LYS 21 57.910 -6.857 -7.615 161 2HB LYS 21 2HB LYS 21 56.785 -7.126 -6.283 162 1HG LYS 21 1HG LYS 21 55.319 -6.893 -8.081 163 2HG LYS 21 2HG LYS 21 55.382 -5.241 -7.463 164 1HD LYS 21 1HD LYS 21 56.053 -4.583 -9.509 165 2HD LYS 21 2HD LYS 21 57.562 -5.451 -9.223 166 1HE LYS 21 1HE LYS 21 56.384 -7.554 -10.057 167 2HE LYS 21 2HE LYS 21 55.063 -6.495 -10.589 168 1HZ LYS 21 1HZ LYS 21 57.683 -5.512 -11.270 169 2HZ LYS 21 2HZ LYS 21 57.319 -6.993 -12.010 170 3HZ LYS 21 3HZ LYS 21 56.295 -5.657 -12.238 171 H ALA 22 H ALA 22 55.987 -3.405 -7.100 172 HA ALA 22 HA ALA 22 57.446 -2.435 -9.422 173 1HB ALA 22 1HB ALA 22 54.907 -2.505 -8.901 174 2HB ALA 22 2HB ALA 22 55.199 -1.047 -7.951 175 3HB ALA 22 3HB ALA 22 55.529 -1.053 -9.683 176 H ALA 23 H ALA 23 56.435 -0.737 -6.426 177 HA ALA 23 HA ALA 23 58.045 1.552 -6.686 178 1HB ALA 23 1HB ALA 23 56.363 0.343 -4.802 179 2HB ALA 23 2HB ALA 23 57.899 0.531 -3.955 180 3HB ALA 23 3HB ALA 23 57.103 1.937 -4.660 181 H PHE 24 H PHE 24 58.854 -1.532 -5.056 182 HA PHE 24 HA PHE 24 61.429 -0.992 -4.129 183 1HB PHE 24 1HB PHE 24 60.395 -3.088 -3.679 184 2HB PHE 24 2HB PHE 24 60.135 -3.415 -5.392 185 HD1 PHE 24 HD1 PHE 24 62.795 -2.999 -2.808 186 HD2 PHE 24 HD2 PHE 24 61.766 -4.545 -6.681 187 HE1 PHE 24 HE1 PHE 24 64.975 -4.176 -2.917 188 HE2 PHE 24 HE2 PHE 24 63.947 -5.722 -6.790 189 HZ PHE 24 HZ PHE 24 65.551 -5.538 -4.908 190 H ASP 25 H ASP 25 60.413 -1.758 -7.452 191 HA ASP 25 HA ASP 25 63.095 -1.900 -8.544 192 1HB ASP 25 1HB ASP 25 61.137 -2.944 -9.588 193 2HB ASP 25 2HB ASP 25 60.369 -1.367 -9.774 194 H ILE 26 H ILE 26 60.650 0.673 -8.266 195 HA ILE 26 HA ILE 26 62.106 2.658 -9.773 196 HB ILE 26 HB ILE 26 59.900 2.663 -7.708 197 1HG1 ILE 26 1HG1 ILE 26 58.884 3.732 -9.980 198 2HG1 ILE 26 2HG1 ILE 26 60.143 2.707 -10.668 199 1HG2 ILE 26 1HG2 ILE 26 61.132 5.027 -9.152 200 2HG2 ILE 26 2HG2 ILE 26 59.576 5.079 -8.323 201 3HG2 ILE 26 3HG2 ILE 26 61.053 4.775 -7.408 202 1HD1 ILE 26 1HD1 ILE 26 58.346 1.583 -8.547 203 2HD1 ILE 26 2HD1 ILE 26 57.749 1.707 -10.204 204 3HD1 ILE 26 3HD1 ILE 26 59.189 0.748 -9.853 205 H PHE 27 H PHE 27 62.112 1.634 -6.397 206 HA PHE 27 HA PHE 27 63.510 3.855 -5.260 207 1HB PHE 27 1HB PHE 27 62.834 1.041 -4.618 208 2HB PHE 27 2HB PHE 27 64.214 1.700 -3.742 209 HD1 PHE 27 HD1 PHE 27 60.993 3.213 -4.941 210 HD2 PHE 27 HD2 PHE 27 63.560 2.358 -1.605 211 HE1 PHE 27 HE1 PHE 27 59.454 4.450 -3.440 212 HE2 PHE 27 HE2 PHE 27 62.021 3.594 -0.104 213 HZ PHE 27 HZ PHE 27 59.968 4.640 -1.021 214 H VAL 28 H VAL 28 64.810 0.623 -6.129 215 HA VAL 28 HA VAL 28 67.572 1.580 -5.984 216 HB VAL 28 HB VAL 28 68.062 -0.739 -6.512 217 1HG1 VAL 28 1HG1 VAL 28 66.583 0.066 -4.351 218 2HG1 VAL 28 2HG1 VAL 28 65.573 -1.225 -5.003 219 3HG1 VAL 28 3HG1 VAL 28 67.245 -1.557 -4.551 220 1HG2 VAL 28 1HG2 VAL 28 65.568 -0.507 -7.959 221 2HG2 VAL 28 2HG2 VAL 28 66.801 -1.763 -8.077 222 3HG2 VAL 28 3HG2 VAL 28 65.513 -1.902 -6.880 223 H LEU 29 H LEU 29 65.253 2.129 -8.274 224 HA LEU 29 HA LEU 29 66.202 1.407 -10.780 225 1HB LEU 29 1HB LEU 29 64.260 2.988 -9.884 226 2HB LEU 29 2HB LEU 29 65.417 4.258 -10.288 227 HG LEU 29 HG LEU 29 64.781 2.066 -12.256 228 1HD1 LEU 29 1HD1 LEU 29 62.750 3.518 -11.314 229 2HD1 LEU 29 2HD1 LEU 29 63.404 4.712 -12.434 230 3HD1 LEU 29 3HD1 LEU 29 62.885 3.136 -13.030 231 1HD2 LEU 29 1HD2 LEU 29 66.644 4.087 -12.235 232 2HD2 LEU 29 2HD2 LEU 29 66.012 3.328 -13.695 233 3HD2 LEU 29 3HD2 LEU 29 65.311 4.837 -13.112 234 H GLY 30 H GLY 30 68.448 1.326 -11.086 235 1HA GLY 30 1HA GLY 30 70.252 2.683 -12.114 236 2HA GLY 30 2HA GLY 30 69.866 3.956 -10.955 237 H ALA 31 H ALA 31 69.497 1.593 -8.949 238 HA ALA 31 HA ALA 31 71.983 1.850 -7.595 239 1HB ALA 31 1HB ALA 31 69.605 1.012 -6.889 240 2HB ALA 31 2HB ALA 31 70.197 -0.568 -7.398 241 3HB ALA 31 3HB ALA 31 71.017 0.304 -6.104 242 H GLU 32 H GLU 32 72.423 -1.037 -7.073 243 HA GLU 32 HA GLU 32 73.553 -1.967 -9.677 244 1HB GLU 32 1HB GLU 32 75.218 -0.614 -8.385 245 2HB GLU 32 2HB GLU 32 75.062 -1.761 -7.053 246 1HG GLU 32 1HG GLU 32 75.503 -3.340 -9.338 247 2HG GLU 32 2HG GLU 32 76.632 -1.991 -9.479 248 H ASP 33 H ASP 33 73.563 -2.894 -6.207 249 HA ASP 33 HA ASP 33 73.079 -5.717 -6.991 250 1HB ASP 33 1HB ASP 33 74.841 -4.918 -5.341 251 2HB ASP 33 2HB ASP 33 73.519 -4.489 -4.255 252 H GLY 34 H GLY 34 70.963 -3.500 -7.081 253 1HA GLY 34 1HA GLY 34 68.669 -3.349 -6.612 254 2HA GLY 34 2HA GLY 34 68.750 -5.050 -6.153 255 H CYS 35 H CYS 35 70.565 -2.396 -4.661 256 HA CYS 35 HA CYS 35 69.110 -2.984 -2.103 257 1HB CYS 35 1HB CYS 35 71.955 -2.269 -2.811 258 2HB CYS 35 2HB CYS 35 71.345 -2.016 -1.174 259 HG CYS 35 HG CYS 35 71.510 -4.819 -2.555 260 H ILE 36 H ILE 36 68.959 -1.051 -0.626 261 HA ILE 36 HA ILE 36 68.673 1.487 -2.208 262 HB ILE 36 HB ILE 36 67.083 0.263 0.064 263 1HG1 ILE 36 1HG1 ILE 36 65.989 1.329 -2.524 264 2HG1 ILE 36 2HG1 ILE 36 66.771 -0.252 -2.507 265 1HG2 ILE 36 1HG2 ILE 36 67.022 3.066 -1.078 266 2HG2 ILE 36 2HG2 ILE 36 65.676 2.373 -0.173 267 3HG2 ILE 36 3HG2 ILE 36 67.242 2.593 0.606 268 1HD1 ILE 36 1HD1 ILE 36 65.166 -0.430 -0.297 269 2HD1 ILE 36 2HD1 ILE 36 64.181 0.579 -1.355 270 3HD1 ILE 36 3HD1 ILE 36 64.713 -1.013 -1.898 271 H SER 37 H SER 37 69.237 3.439 -1.100 272 HA SER 37 HA SER 37 70.419 3.328 1.603 273 1HB SER 37 1HB SER 37 71.910 3.029 -0.847 274 2HB SER 37 2HB SER 37 72.393 4.508 -0.027 275 HG SER 37 HG SER 37 73.541 2.589 0.656 276 H THR 38 H THR 38 68.241 4.731 0.503 277 HA THR 38 HA THR 38 67.317 6.910 0.624 278 HB THR 38 HB THR 38 68.499 8.502 1.843 279 HG1 THR 38 HG1 THR 38 71.044 7.612 1.199 280 1HG2 THR 38 1HG2 THR 38 68.782 5.943 2.730 281 2HG2 THR 38 2HG2 THR 38 70.469 6.454 2.661 282 3HG2 THR 38 3HG2 THR 38 69.312 7.361 3.635 283 H LYS 39 H LYS 39 70.622 7.024 -0.808 284 HA LYS 39 HA LYS 39 70.189 8.980 -2.772 285 1HB LYS 39 1HB LYS 39 71.748 6.373 -2.830 286 2HB LYS 39 2HB LYS 39 71.942 7.650 -4.031 287 1HG LYS 39 1HG LYS 39 72.664 9.222 -2.337 288 2HG LYS 39 2HG LYS 39 72.296 8.072 -1.051 289 1HD LYS 39 1HD LYS 39 74.122 6.712 -1.556 290 2HD LYS 39 2HD LYS 39 74.214 7.285 -3.223 291 1HE LYS 39 1HE LYS 39 75.965 8.532 -2.399 292 2HE LYS 39 2HE LYS 39 74.665 9.616 -1.863 293 1HZ LYS 39 1HZ LYS 39 74.513 8.256 0.185 294 2HZ LYS 39 2HZ LYS 39 75.894 7.399 -0.312 295 3HZ LYS 39 3HZ LYS 39 75.999 9.060 0.030 296 H GLU 40 H GLU 40 69.288 5.554 -2.762 297 HA GLU 40 HA GLU 40 68.028 5.761 -5.445 298 1HB GLU 40 1HB GLU 40 67.997 3.428 -3.514 299 2HB GLU 40 2HB GLU 40 67.886 3.382 -5.271 300 1HG GLU 40 1HG GLU 40 70.098 2.848 -5.106 301 2HG GLU 40 2HG GLU 40 70.287 4.599 -4.999 302 H LEU 41 H LEU 41 67.255 5.530 -2.030 303 HA LEU 41 HA LEU 41 64.392 5.113 -2.397 304 1HB LEU 41 1HB LEU 41 65.101 4.261 -0.385 305 2HB LEU 41 2HB LEU 41 66.413 5.425 -0.243 306 HG LEU 41 HG LEU 41 64.920 7.131 0.556 307 1HD1 LEU 41 1HD1 LEU 41 62.957 5.501 -0.810 308 2HD1 LEU 41 2HD1 LEU 41 62.425 5.867 0.831 309 3HD1 LEU 41 3HD1 LEU 41 62.835 7.175 -0.278 310 1HD2 LEU 41 1HD2 LEU 41 65.276 4.645 1.866 311 2HD2 LEU 41 2HD2 LEU 41 64.924 6.206 2.612 312 3HD2 LEU 41 3HD2 LEU 41 63.605 5.124 2.163 313 H GLY 42 H GLY 42 66.213 7.835 -0.921 314 1HA GLY 42 1HA GLY 42 64.222 9.724 -0.720 315 2HA GLY 42 2HA GLY 42 65.871 10.159 -1.169 316 H LYS 43 H LYS 43 65.664 8.541 -3.690 317 HA LYS 43 HA LYS 43 64.940 10.575 -5.512 318 1HB LYS 43 1HB LYS 43 65.444 7.651 -5.526 319 2HB LYS 43 2HB LYS 43 64.557 8.272 -6.919 320 1HG LYS 43 1HG LYS 43 66.628 10.125 -6.460 321 2HG LYS 43 2HG LYS 43 67.371 8.533 -6.297 322 1HD LYS 43 1HD LYS 43 65.553 8.535 -8.535 323 2HD LYS 43 2HD LYS 43 66.695 9.869 -8.690 324 1HE LYS 43 1HE LYS 43 67.522 7.008 -8.090 325 2HE LYS 43 2HE LYS 43 67.561 7.740 -9.706 326 1HZ LYS 43 1HZ LYS 43 68.761 9.203 -7.464 327 2HZ LYS 43 2HZ LYS 43 69.630 7.907 -8.135 328 3HZ LYS 43 3HZ LYS 43 69.176 9.225 -9.107 329 H VAL 44 H VAL 44 62.940 8.175 -3.891 330 HA VAL 44 HA VAL 44 60.604 8.696 -5.610 331 HB VAL 44 HB VAL 44 61.221 7.022 -3.171 332 1HG1 VAL 44 1HG1 VAL 44 58.593 7.847 -4.290 333 2HG1 VAL 44 2HG1 VAL 44 58.780 6.130 -3.930 334 3HG1 VAL 44 3HG1 VAL 44 59.009 7.327 -2.655 335 1HG2 VAL 44 1HG2 VAL 44 61.418 6.658 -5.978 336 2HG2 VAL 44 2HG2 VAL 44 61.655 5.443 -4.721 337 3HG2 VAL 44 3HG2 VAL 44 60.061 5.669 -5.439 338 H MET 45 H MET 45 61.684 9.469 -2.302 339 HA MET 45 HA MET 45 59.356 10.643 -1.254 340 1HB MET 45 1HB MET 45 62.293 10.871 -0.919 341 2HB MET 45 2HB MET 45 61.354 12.218 -0.276 342 1HG MET 45 1HG MET 45 61.678 10.442 1.422 343 2HG MET 45 2HG MET 45 59.973 10.661 1.026 344 1HE MET 45 1HE MET 45 58.572 9.411 0.248 345 2HE MET 45 2HE MET 45 58.918 8.629 -1.294 346 3HE MET 45 3HE MET 45 58.621 7.646 0.139 347 H ARG 46 H ARG 46 61.603 11.901 -3.658 348 HA ARG 46 HA ARG 46 60.592 14.637 -3.580 349 1HB ARG 46 1HB ARG 46 62.501 12.964 -5.133 350 2HB ARG 46 2HB ARG 46 61.853 14.378 -5.967 351 1HG ARG 46 1HG ARG 46 62.842 15.870 -4.503 352 2HG ARG 46 2HG ARG 46 62.815 14.729 -3.158 353 1HD ARG 46 1HD ARG 46 65.016 14.369 -3.601 354 2HD ARG 46 2HD ARG 46 64.478 13.509 -5.058 355 HE ARG 46 HE ARG 46 64.385 16.264 -5.667 356 1HH1 ARG 46 1HH1 ARG 46 66.894 14.870 -3.963 357 2HH1 ARG 46 2HH1 ARG 46 68.115 15.163 -5.157 358 1HH2 ARG 46 1HH2 ARG 46 65.867 16.215 -7.580 359 2HH2 ARG 46 2HH2 ARG 46 67.532 15.922 -7.206 360 H MET 47 H MET 47 59.772 11.676 -5.272 361 HA MET 47 HA MET 47 58.091 13.018 -7.275 362 1HB MET 47 1HB MET 47 58.691 10.163 -6.467 363 2HB MET 47 2HB MET 47 57.548 10.558 -7.751 364 1HG MET 47 1HG MET 47 59.191 11.259 -9.188 365 2HG MET 47 2HG MET 47 60.190 11.910 -7.889 366 1HE MET 47 1HE MET 47 58.727 8.993 -9.610 367 2HE MET 47 2HE MET 47 59.792 7.606 -9.338 368 3HE MET 47 3HE MET 47 58.683 8.131 -8.074 369 H LEU 48 H LEU 48 57.718 11.584 -4.101 370 HA LEU 48 HA LEU 48 54.846 11.175 -4.238 371 1HB LEU 48 1HB LEU 48 56.826 11.487 -1.958 372 2HB LEU 48 2HB LEU 48 55.153 10.970 -1.749 373 HG LEU 48 HG LEU 48 57.379 9.538 -3.205 374 1HD1 LEU 48 1HD1 LEU 48 56.867 9.269 -0.688 375 2HD1 LEU 48 2HD1 LEU 48 55.389 8.459 -1.208 376 3HD1 LEU 48 3HD1 LEU 48 56.961 7.796 -1.654 377 1HD2 LEU 48 1HD2 LEU 48 54.384 9.218 -3.454 378 2HD2 LEU 48 2HD2 LEU 48 55.584 9.327 -4.741 379 3HD2 LEU 48 3HD2 LEU 48 55.481 7.869 -3.755 380 H GLY 49 H GLY 49 56.721 13.972 -4.176 381 1HA GLY 49 1HA GLY 49 55.790 16.191 -4.217 382 2HA GLY 49 2HA GLY 49 54.366 15.579 -3.371 383 H GLN 50 H GLN 50 57.556 14.710 -2.257 384 HA GLN 50 HA GLN 50 57.463 16.790 -0.126 385 1HB GLN 50 1HB GLN 50 57.086 13.831 0.123 386 2HB GLN 50 2HB GLN 50 57.959 14.666 1.408 387 1HG GLN 50 1HG GLN 50 56.108 15.847 2.091 388 2HG GLN 50 2HG GLN 50 55.424 15.915 0.467 389 1HE2 GLN 50 2HE2 GLN 50 54.049 15.031 2.967 390 2HE2 GLN 50 1HE2 GLN 50 53.554 13.432 2.682 391 H ASN 51 H ASN 51 59.491 15.816 1.469 392 HA ASN 51 HA ASN 51 61.781 14.751 0.123 393 1HB ASN 51 1HB ASN 51 61.116 17.163 -0.899 394 2HB ASN 51 2HB ASN 51 62.137 17.693 0.439 395 1HD2 ASN 51 2HD2 ASN 51 63.681 18.393 -1.340 396 2HD2 ASN 51 1HD2 ASN 51 64.716 17.230 -2.019 397 HA PRO 52 HA PRO 52 62.157 15.164 4.652 398 1HB PRO 52 1HB PRO 52 63.388 12.744 4.994 399 2HB PRO 52 2HB PRO 52 61.626 12.924 4.885 400 1HG PRO 52 1HG PRO 52 63.570 12.048 2.812 401 2HG PRO 52 2HG PRO 52 61.935 11.458 3.147 402 1HD PRO 52 1HD PRO 52 62.539 13.164 1.102 403 2HD PRO 52 2HD PRO 52 60.948 13.095 1.892 404 H THR 53 H THR 53 64.260 14.859 6.017 405 HA THR 53 HA THR 53 66.463 16.188 4.601 406 HB THR 53 HB THR 53 67.406 15.853 7.050 407 HG1 THR 53 HG1 THR 53 64.984 15.826 8.099 408 1HG2 THR 53 1HG2 THR 53 65.466 17.692 5.865 409 2HG2 THR 53 2HG2 THR 53 65.339 17.614 7.622 410 3HG2 THR 53 3HG2 THR 53 66.874 18.040 6.867 411 HA PRO 54 HA PRO 54 68.981 12.654 3.932 412 1HB PRO 54 1HB PRO 54 71.477 13.580 4.566 413 2HB PRO 54 2HB PRO 54 70.609 14.073 3.100 414 1HG PRO 54 1HG PRO 54 70.946 15.521 5.676 415 2HG PRO 54 2HG PRO 54 70.936 16.148 4.020 416 1HD PRO 54 1HD PRO 54 68.806 16.328 5.724 417 2HD PRO 54 2HD PRO 54 68.655 16.297 3.953 418 H GLU 55 H GLU 55 69.045 14.194 7.067 419 HA GLU 55 HA GLU 55 70.538 12.054 8.404 420 1HB GLU 55 1HB GLU 55 70.482 14.481 9.068 421 2HB GLU 55 2HB GLU 55 68.788 14.270 9.518 422 1HG GLU 55 1HG GLU 55 69.608 13.725 11.563 423 2HG GLU 55 2HG GLU 55 69.976 12.167 10.824 424 H GLU 56 H GLU 56 67.166 12.895 7.809 425 HA GLU 56 HA GLU 56 66.123 10.867 9.664 426 1HB GLU 56 1HB GLU 56 65.070 12.912 7.736 427 2HB GLU 56 2HB GLU 56 63.986 11.639 8.299 428 1HG GLU 56 1HG GLU 56 65.297 12.508 10.611 429 2HG GLU 56 2HG GLU 56 64.954 13.990 9.717 430 H LEU 57 H LEU 57 67.048 11.067 6.311 431 HA LEU 57 HA LEU 57 65.448 9.003 5.178 432 1HB LEU 57 1HB LEU 57 67.815 10.577 4.587 433 2HB LEU 57 2HB LEU 57 68.008 8.924 4.003 434 HG LEU 57 HG LEU 57 65.618 10.704 3.435 435 1HD1 LEU 57 1HD1 LEU 57 68.192 10.698 2.270 436 2HD1 LEU 57 2HD1 LEU 57 67.143 9.853 1.133 437 3HD1 LEU 57 3HD1 LEU 57 66.744 11.490 1.650 438 1HD2 LEU 57 1HD2 LEU 57 66.405 7.925 2.508 439 2HD2 LEU 57 2HD2 LEU 57 64.985 8.364 3.458 440 3HD2 LEU 57 3HD2 LEU 57 65.112 8.873 1.775 441 H GLN 58 H GLN 58 68.724 8.809 6.632 442 HA GLN 58 HA GLN 58 69.114 6.017 6.387 443 1HB GLN 58 1HB GLN 58 70.486 8.144 7.358 444 2HB GLN 58 2HB GLN 58 70.003 7.387 8.875 445 1HG GLN 58 1HG GLN 58 71.319 5.861 6.617 446 2HG GLN 58 2HG GLN 58 72.225 6.590 7.944 447 1HE2 GLN 58 2HE2 GLN 58 71.516 3.637 7.155 448 2HE2 GLN 58 1HE2 GLN 58 70.973 2.974 8.621 449 H GLU 59 H GLU 59 66.993 7.822 8.473 450 HA GLU 59 HA GLU 59 66.649 5.846 10.552 451 1HB GLU 59 1HB GLU 59 65.998 8.440 10.196 452 2HB GLU 59 2HB GLU 59 64.451 7.705 9.772 453 1HG GLU 59 1HG GLU 59 64.086 7.742 12.020 454 2HG GLU 59 2HG GLU 59 65.093 6.295 12.021 455 H MET 60 H MET 60 65.022 6.483 7.454 456 HA MET 60 HA MET 60 62.874 4.594 7.812 457 1HB MET 60 1HB MET 60 63.860 6.464 5.894 458 2HB MET 60 2HB MET 60 63.634 4.923 5.063 459 1HG MET 60 1HG MET 60 61.334 4.808 6.137 460 2HG MET 60 2HG MET 60 61.580 6.476 6.653 461 1HE MET 60 1HE MET 60 62.182 8.379 5.152 462 2HE MET 60 2HE MET 60 61.133 8.651 3.763 463 3HE MET 60 3HE MET 60 60.433 8.267 5.342 464 H ILE 61 H ILE 61 66.236 4.255 6.995 465 HA ILE 61 HA ILE 61 65.878 1.556 5.830 466 HB ILE 61 HB ILE 61 68.203 3.425 6.344 467 1HG1 ILE 61 1HG1 ILE 61 68.234 3.010 3.723 468 2HG1 ILE 61 2HG1 ILE 61 66.545 2.580 3.994 469 1HG2 ILE 61 1HG2 ILE 61 68.153 0.539 5.532 470 2HG2 ILE 61 2HG2 ILE 61 69.357 1.605 4.807 471 3HG2 ILE 61 3HG2 ILE 61 69.309 1.391 6.557 472 1HD1 ILE 61 1HD1 ILE 61 67.563 5.089 5.258 473 2HD1 ILE 61 2HD1 ILE 61 67.272 5.102 3.518 474 3HD1 ILE 61 3HD1 ILE 61 65.956 4.720 4.629 475 H ASP 62 H ASP 62 67.021 3.099 8.800 476 HA ASP 62 HA ASP 62 68.157 0.682 9.954 477 1HB ASP 62 1HB ASP 62 67.707 3.510 10.607 478 2HB ASP 62 2HB ASP 62 67.580 2.447 12.009 479 H GLU 63 H GLU 63 64.973 1.606 9.367 480 HA GLU 63 HA GLU 63 63.743 0.623 11.827 481 1HB GLU 63 1HB GLU 63 63.028 1.924 9.337 482 2HB GLU 63 2HB GLU 63 61.901 0.614 9.691 483 1HG GLU 63 1HG GLU 63 62.694 2.754 11.687 484 2HG GLU 63 2HG GLU 63 61.227 2.810 10.708 485 H VAL 64 H VAL 64 64.686 -0.747 8.730 486 HA VAL 64 HA VAL 64 63.493 -3.373 9.566 487 HB VAL 64 HB VAL 64 63.575 -3.776 7.045 488 1HG1 VAL 64 1HG1 VAL 64 61.551 -2.994 8.386 489 2HG1 VAL 64 2HG1 VAL 64 61.939 -1.359 7.849 490 3HG1 VAL 64 3HG1 VAL 64 61.523 -2.601 6.668 491 1HG2 VAL 64 1HG2 VAL 64 65.285 -1.829 6.816 492 2HG2 VAL 64 2HG2 VAL 64 64.031 -1.979 5.585 493 3HG2 VAL 64 3HG2 VAL 64 63.869 -0.778 6.867 494 H ASP 65 H ASP 65 66.389 -1.694 9.221 495 HA ASP 65 HA ASP 65 68.096 -3.719 8.070 496 1HB ASP 65 1HB ASP 65 68.235 -1.063 8.966 497 2HB ASP 65 2HB ASP 65 69.361 -1.944 9.999 498 H GLU 66 H GLU 66 67.579 -5.708 9.189 499 HA GLU 66 HA GLU 66 67.833 -5.873 12.108 500 1HB GLU 66 1HB GLU 66 66.508 -7.251 10.148 501 2HB GLU 66 2HB GLU 66 67.879 -8.321 10.448 502 1HG GLU 66 1HG GLU 66 67.364 -8.228 12.890 503 2HG GLU 66 2HG GLU 66 65.929 -7.269 12.520 504 H ASP 67 H ASP 67 70.125 -5.385 9.872 505 HA ASP 67 HA ASP 67 72.123 -7.092 11.314 506 1HB ASP 67 1HB ASP 67 73.225 -7.197 8.978 507 2HB ASP 67 2HB ASP 67 71.763 -8.156 9.211 508 H GLY 68 H GLY 68 71.136 -4.057 10.984 509 1HA GLY 68 1HA GLY 68 72.167 -1.941 10.949 510 2HA GLY 68 2HA GLY 68 73.435 -2.759 11.864 511 H SER 69 H SER 69 72.532 -3.573 8.551 512 HA SER 69 HA SER 69 75.285 -3.388 7.652 513 1HB SER 69 1HB SER 69 74.048 -3.777 5.411 514 2HB SER 69 2HB SER 69 73.877 -5.014 6.652 515 HG SER 69 HG SER 69 71.932 -3.933 5.482 516 H GLY 70 H GLY 70 72.353 -1.598 6.597 517 1HA GLY 70 1HA GLY 70 72.668 0.957 6.732 518 2HA GLY 70 2HA GLY 70 74.156 0.660 5.834 519 H THR 71 H THR 71 72.018 -1.596 4.740 520 HA THR 71 HA THR 71 70.826 0.219 2.678 521 HB THR 71 HB THR 71 71.520 -1.902 1.179 522 HG1 THR 71 HG1 THR 71 73.646 -1.718 3.023 523 1HG2 THR 71 1HG2 THR 71 72.167 0.457 0.796 524 2HG2 THR 71 2HG2 THR 71 73.438 0.294 2.008 525 3HG2 THR 71 3HG2 THR 71 73.519 -0.641 0.514 526 H VAL 72 H VAL 72 69.132 -1.053 1.367 527 HA VAL 72 HA VAL 72 67.829 -3.151 3.070 528 HB VAL 72 HB VAL 72 66.689 -0.699 1.707 529 1HG1 VAL 72 1HG1 VAL 72 65.290 -3.130 2.850 530 2HG1 VAL 72 2HG1 VAL 72 64.479 -1.582 2.608 531 3HG1 VAL 72 3HG1 VAL 72 65.132 -2.461 1.225 532 1HG2 VAL 72 1HG2 VAL 72 66.905 -1.700 4.551 533 2HG2 VAL 72 2HG2 VAL 72 67.501 -0.180 3.883 534 3HG2 VAL 72 3HG2 VAL 72 65.768 -0.431 4.095 535 H ASP 73 H ASP 73 66.827 -4.823 1.915 536 HA ASP 73 HA ASP 73 67.120 -4.746 -1.071 537 1HB ASP 73 1HB ASP 73 67.575 -7.199 -0.830 538 2HB ASP 73 2HB ASP 73 68.767 -6.203 0.005 539 H PHE 74 H PHE 74 65.665 -6.756 -1.930 540 HA PHE 74 HA PHE 74 62.954 -6.070 -1.629 541 1HB PHE 74 1HB PHE 74 64.447 -7.802 -3.130 542 2HB PHE 74 2HB PHE 74 63.566 -8.929 -2.099 543 HD1 PHE 74 HD1 PHE 74 61.206 -6.795 -1.777 544 HD2 PHE 74 HD2 PHE 74 63.187 -8.636 -5.115 545 HE1 PHE 74 HE1 PHE 74 59.174 -6.474 -3.161 546 HE2 PHE 74 HE2 PHE 74 61.154 -8.315 -6.498 547 HZ PHE 74 HZ PHE 74 59.147 -7.234 -5.522 548 H ASP 75 H ASP 75 65.007 -7.872 0.504 549 HA ASP 75 HA ASP 75 62.857 -9.277 1.912 550 1HB ASP 75 1HB ASP 75 65.676 -8.684 2.844 551 2HB ASP 75 2HB ASP 75 64.664 -10.064 3.272 552 H GLU 76 H GLU 76 65.221 -6.893 3.158 553 HA GLU 76 HA GLU 76 63.655 -6.108 5.408 554 1HB GLU 76 1HB GLU 76 65.814 -4.706 3.799 555 2HB GLU 76 2HB GLU 76 65.254 -4.160 5.380 556 1HG GLU 76 1HG GLU 76 66.006 -6.178 6.440 557 2HG GLU 76 2HG GLU 76 66.310 -6.954 4.885 558 H PHE 77 H PHE 77 63.533 -5.148 2.047 559 HA PHE 77 HA PHE 77 62.142 -2.639 2.399 560 1HB PHE 77 1HB PHE 77 63.357 -3.210 0.367 561 2HB PHE 77 2HB PHE 77 62.344 -4.633 0.121 562 HD1 PHE 77 HD1 PHE 77 62.334 -0.916 0.213 563 HD2 PHE 77 HD2 PHE 77 60.184 -4.468 -0.887 564 HE1 PHE 77 HE1 PHE 77 60.687 0.465 -1.025 565 HE2 PHE 77 HE2 PHE 77 58.537 -3.089 -2.125 566 HZ PHE 77 HZ PHE 77 58.788 -0.623 -2.193 567 H LEU 78 H LEU 78 60.892 -5.755 1.130 568 HA LEU 78 HA LEU 78 58.151 -5.181 1.241 569 1HB LEU 78 1HB LEU 78 59.908 -7.572 1.343 570 2HB LEU 78 2HB LEU 78 58.245 -7.826 1.873 571 HG LEU 78 HG LEU 78 58.872 -6.381 -0.701 572 1HD1 LEU 78 1HD1 LEU 78 59.928 -8.677 -0.662 573 2HD1 LEU 78 2HD1 LEU 78 58.316 -9.346 -0.415 574 3HD1 LEU 78 3HD1 LEU 78 58.689 -8.469 -1.899 575 1HD2 LEU 78 1HD2 LEU 78 56.587 -6.249 0.343 576 2HD2 LEU 78 2HD2 LEU 78 56.586 -7.003 -1.252 577 3HD2 LEU 78 3HD2 LEU 78 56.470 -8.002 0.197 578 H VAL 79 H VAL 79 60.330 -6.130 3.861 579 HA VAL 79 HA VAL 79 58.268 -6.621 5.834 580 HB VAL 79 HB VAL 79 61.209 -5.885 6.018 581 1HG1 VAL 79 1HG1 VAL 79 59.228 -6.880 8.078 582 2HG1 VAL 79 2HG1 VAL 79 60.972 -7.047 8.284 583 3HG1 VAL 79 3HG1 VAL 79 60.247 -5.443 8.160 584 1HG2 VAL 79 1HG2 VAL 79 59.866 -8.227 5.120 585 2HG2 VAL 79 2HG2 VAL 79 61.594 -8.017 5.400 586 3HG2 VAL 79 3HG2 VAL 79 60.555 -8.602 6.700 587 H MET 80 H MET 80 60.191 -3.784 4.895 588 HA MET 80 HA MET 80 59.455 -2.037 7.022 589 1HB MET 80 1HB MET 80 61.018 -1.992 4.752 590 2HB MET 80 2HB MET 80 59.730 -0.861 4.332 591 1HG MET 80 1HG MET 80 60.484 -0.348 7.035 592 2HG MET 80 2HG MET 80 61.961 -0.433 6.073 593 1HE MET 80 1HE MET 80 62.202 0.345 3.960 594 2HE MET 80 2HE MET 80 60.943 1.142 3.007 595 3HE MET 80 3HE MET 80 62.199 2.098 3.788 596 H MET 81 H MET 81 57.683 -3.176 4.242 597 HA MET 81 HA MET 81 55.654 -1.046 4.356 598 1HB MET 81 1HB MET 81 56.006 -3.644 2.834 599 2HB MET 81 2HB MET 81 54.614 -2.585 2.608 600 1HG MET 81 1HG MET 81 57.484 -1.662 2.315 601 2HG MET 81 2HG MET 81 56.485 -2.192 0.962 602 1HE MET 81 1HE MET 81 57.635 -0.134 0.405 603 2HE MET 81 2HE MET 81 56.357 0.897 -0.234 604 3HE MET 81 3HE MET 81 57.365 1.473 1.092 605 H VAL 82 H VAL 82 56.281 -3.964 6.012 606 HA VAL 82 HA VAL 82 53.427 -4.541 6.582 607 HB VAL 82 HB VAL 82 55.909 -5.873 7.690 608 1HG1 VAL 82 1HG1 VAL 82 53.020 -6.634 7.279 609 2HG1 VAL 82 2HG1 VAL 82 54.266 -7.869 7.451 610 3HG1 VAL 82 3HG1 VAL 82 53.981 -6.717 8.756 611 1HG2 VAL 82 1HG2 VAL 82 54.814 -5.854 4.931 612 2HG2 VAL 82 2HG2 VAL 82 56.448 -6.209 5.490 613 3HG2 VAL 82 3HG2 VAL 82 55.195 -7.446 5.588 614 H ARG 83 H ARG 83 56.327 -3.265 8.165 615 HA ARG 83 HA ARG 83 55.372 -3.281 10.864 616 1HB ARG 83 1HB ARG 83 57.472 -1.958 9.227 617 2HB ARG 83 2HB ARG 83 57.072 -1.174 10.755 618 1HG ARG 83 1HG ARG 83 57.280 -3.547 11.784 619 2HG ARG 83 2HG ARG 83 58.133 -3.957 10.295 620 1HD ARG 83 1HD ARG 83 59.884 -3.265 11.726 621 2HD ARG 83 2HD ARG 83 59.528 -1.784 10.815 622 HE ARG 83 HE ARG 83 57.784 -1.554 12.888 623 1HH1 ARG 83 1HH1 ARG 83 60.481 -3.379 13.537 624 2HH1 ARG 83 2HH1 ARG 83 61.141 -2.327 14.744 625 1HH2 ARG 83 1HH2 ARG 83 58.902 0.243 14.111 626 2HH2 ARG 83 2HH2 ARG 83 60.245 -0.278 15.071 627 H CYS 84 H CYS 84 54.483 -1.340 8.141 628 HA CYS 84 HA CYS 84 53.177 0.664 9.951 629 1HB CYS 84 1HB CYS 84 54.882 1.516 8.379 630 2HB CYS 84 2HB CYS 84 53.995 0.805 7.030 631 HG CYS 84 HG CYS 84 51.955 2.440 7.787 632 H MET 85 H MET 85 52.579 -1.965 7.868 633 HA MET 85 HA MET 85 50.235 -1.351 6.476 634 1HB MET 85 1HB MET 85 51.555 -3.698 7.654 635 2HB MET 85 2HB MET 85 49.811 -3.897 7.474 636 1HG MET 85 1HG MET 85 51.396 -2.750 5.198 637 2HG MET 85 2HG MET 85 51.410 -4.494 5.466 638 1HE MET 85 1HE MET 85 49.166 -5.473 6.465 639 2HE MET 85 2HE MET 85 47.752 -5.510 5.415 640 3HE MET 85 3HE MET 85 49.297 -6.110 4.820 641 H LYS 86 H LYS 86 48.411 -0.368 7.257 642 HA LYS 86 HA LYS 86 47.308 -1.314 9.873 643 1HB LYS 86 1HB LYS 86 48.624 1.110 9.414 644 2HB LYS 86 2HB LYS 86 46.913 1.534 9.356 645 1HG LYS 86 1HG LYS 86 46.571 1.026 11.563 646 2HG LYS 86 2HG LYS 86 47.736 -0.299 11.546 647 1HD LYS 86 1HD LYS 86 49.552 1.109 11.916 648 2HD LYS 86 2HD LYS 86 48.730 2.515 11.239 649 1HE LYS 86 1HE LYS 86 47.130 2.364 13.245 650 2HE LYS 86 2HE LYS 86 48.306 1.240 13.954 651 1HZ LYS 86 1HZ LYS 86 49.515 3.567 12.773 652 2HZ LYS 86 2HZ LYS 86 48.479 3.948 14.062 653 3HZ LYS 86 3HZ LYS 86 49.773 2.873 14.299 654 H ASP 87 H ASP 87 45.023 0.118 10.005 655 HA ASP 87 HA ASP 87 42.813 0.097 9.151 656 1HB ASP 87 1HB ASP 87 44.078 1.954 7.950 657 2HB ASP 87 2HB ASP 87 44.282 0.831 6.604 658 H ASP 88 H ASP 88 42.886 -2.359 9.337 659 HA ASP 88 HA ASP 88 42.730 -3.608 6.611 660 1HB ASP 88 1HB ASP 88 43.585 -5.665 7.774 661 2HB ASP 88 2HB ASP 88 44.730 -4.324 7.816 662 H SER 89 H SER 89 40.381 -2.694 7.246 663 HA SER 89 HA SER 89 38.798 -5.045 8.026 664 1HB SER 89 1HB SER 89 38.316 -2.566 9.637 665 2HB SER 89 2HB SER 89 38.042 -4.250 10.074 666 HG SER 89 HG SER 89 39.849 -3.453 11.164 667 1H ARG 1 1H ARG 1 59.949 10.247 4.578 668 2H ARG 1 2H ARG 1 59.401 11.832 4.854 669 3H ARG 1 3H ARG 1 60.037 10.921 6.135 670 HA ARG 1 HA ARG 1 58.151 9.681 6.405 671 1HB ARG 1 1HB ARG 1 57.868 12.478 5.727 672 2HB ARG 1 2HB ARG 1 56.393 11.607 5.308 673 1HG ARG 1 1HG ARG 1 57.497 10.796 7.898 674 2HG ARG 1 2HG ARG 1 57.053 12.503 7.842 675 1HD ARG 1 1HD ARG 1 55.202 10.280 6.920 676 2HD ARG 1 2HD ARG 1 55.156 10.984 8.549 677 HE ARG 1 HE ARG 1 55.161 13.127 6.683 678 1HH1 ARG 1 1HH1 ARG 1 53.278 10.787 5.665 679 2HH1 ARG 1 2HH1 ARG 1 51.751 11.431 6.171 680 1HH2 ARG 1 1HH2 ARG 1 53.150 13.845 8.227 681 2HH2 ARG 1 2HH2 ARG 1 51.679 13.163 7.620 682 H ILE 2 H ILE 2 57.802 7.854 5.152 683 HA ILE 2 HA ILE 2 56.910 8.217 2.322 684 HB ILE 2 HB ILE 2 58.907 6.801 2.941 685 1HG1 ILE 2 1HG1 ILE 2 56.846 4.918 1.873 686 2HG1 ILE 2 2HG1 ILE 2 57.120 6.416 0.984 687 1HG2 ILE 2 1HG2 ILE 2 57.850 5.973 5.085 688 2HG2 ILE 2 2HG2 ILE 2 56.813 4.942 4.099 689 3HG2 ILE 2 3HG2 ILE 2 58.560 4.704 4.085 690 1HD1 ILE 2 1HD1 ILE 2 59.348 4.542 1.819 691 2HD1 ILE 2 2HD1 ILE 2 58.568 4.482 0.238 692 3HD1 ILE 2 3HD1 ILE 2 59.464 5.921 0.725 693 H SER 3 H SER 3 54.932 7.295 1.636 694 HA SER 3 HA SER 3 53.141 6.293 3.827 695 1HB SER 3 1HB SER 3 52.800 8.187 1.526 696 2HB SER 3 2HB SER 3 51.400 7.277 2.088 697 HG SER 3 HG SER 3 53.106 8.728 3.824 698 H ALA 4 H ALA 4 51.054 5.373 2.280 699 HA ALA 4 HA ALA 4 52.320 3.290 0.525 700 1HB ALA 4 1HB ALA 4 50.394 3.174 2.812 701 2HB ALA 4 2HB ALA 4 50.190 2.003 1.508 702 3HB ALA 4 3HB ALA 4 51.709 2.073 2.401 703 H ASP 5 H ASP 5 49.399 5.204 1.226 704 HA ASP 5 HA ASP 5 48.053 4.357 -1.242 705 1HB ASP 5 1HB ASP 5 47.416 5.537 1.252 706 2HB ASP 5 2HB ASP 5 46.981 6.725 0.022 707 H ALA 6 H ALA 6 49.407 7.446 -0.015 708 HA ALA 6 HA ALA 6 49.062 8.844 -2.527 709 1HB ALA 6 1HB ALA 6 50.012 9.290 0.177 710 2HB ALA 6 2HB ALA 6 51.088 10.060 -0.990 711 3HB ALA 6 3HB ALA 6 49.370 10.460 -0.976 712 H MET 7 H MET 7 51.454 6.634 -1.340 713 HA MET 7 HA MET 7 53.700 7.562 -2.914 714 1HB MET 7 1HB MET 7 53.477 5.966 -0.835 715 2HB MET 7 2HB MET 7 53.253 4.714 -2.057 716 1HG MET 7 1HG MET 7 55.421 6.151 -3.020 717 2HG MET 7 2HG MET 7 55.692 6.137 -1.278 718 1HE MET 7 1HE MET 7 56.689 5.094 -4.054 719 2HE MET 7 2HE MET 7 57.625 3.659 -3.644 720 3HE MET 7 3HE MET 7 56.099 3.502 -4.525 721 H MET 8 H MET 8 51.203 5.058 -3.421 722 HA MET 8 HA MET 8 52.259 4.166 -5.969 723 1HB MET 8 1HB MET 8 49.536 3.953 -4.644 724 2HB MET 8 2HB MET 8 50.035 3.024 -6.057 725 1HG MET 8 1HG MET 8 51.428 2.978 -3.364 726 2HG MET 8 2HG MET 8 50.331 1.732 -3.958 727 1HE MET 8 1HE MET 8 53.594 3.470 -4.022 728 2HE MET 8 2HE MET 8 53.790 1.929 -3.178 729 3HE MET 8 3HE MET 8 54.703 2.253 -4.649 730 H GLN 9 H GLN 9 50.053 6.719 -4.974 731 HA GLN 9 HA GLN 9 49.032 7.174 -7.695 732 1HB GLN 9 1HB GLN 9 48.695 8.338 -4.947 733 2HB GLN 9 2HB GLN 9 48.111 9.243 -6.343 734 1HG GLN 9 1HG GLN 9 47.265 6.589 -6.759 735 2HG GLN 9 2HG GLN 9 46.939 6.929 -5.059 736 1HE2 GLN 9 2HE2 GLN 9 45.058 6.759 -7.484 737 2HE2 GLN 9 1HE2 GLN 9 44.192 8.219 -7.441 738 H ALA 10 H ALA 10 51.784 8.160 -5.873 739 HA ALA 10 HA ALA 10 52.118 10.747 -7.234 740 1HB ALA 10 1HB ALA 10 53.361 9.152 -5.078 741 2HB ALA 10 2HB ALA 10 54.485 10.160 -5.991 742 3HB ALA 10 3HB ALA 10 53.102 10.894 -5.180 743 H LEU 11 H LEU 11 54.008 7.692 -7.148 744 HA LEU 11 HA LEU 11 54.828 8.246 -9.978 745 1HB LEU 11 1HB LEU 11 57.112 7.485 -9.274 746 2HB LEU 11 2HB LEU 11 56.597 8.958 -8.452 747 HG LEU 11 HG LEU 11 55.634 6.803 -6.892 748 1HD1 LEU 11 1HD1 LEU 11 57.509 5.619 -8.317 749 2HD1 LEU 11 2HD1 LEU 11 58.598 6.470 -7.221 750 3HD1 LEU 11 3HD1 LEU 11 57.414 5.332 -6.580 751 1HD2 LEU 11 1HD2 LEU 11 56.570 9.163 -6.321 752 2HD2 LEU 11 2HD2 LEU 11 56.879 7.851 -5.183 753 3HD2 LEU 11 3HD2 LEU 11 58.143 8.368 -6.298 754 H LEU 12 H LEU 12 52.757 6.476 -9.419 755 HA LEU 12 HA LEU 12 53.835 3.962 -10.434 756 1HB LEU 12 1HB LEU 12 53.253 4.417 -7.552 757 2HB LEU 12 2HB LEU 12 52.694 2.887 -8.226 758 HG LEU 12 HG LEU 12 55.289 3.243 -9.251 759 1HD1 LEU 12 1HD1 LEU 12 55.330 4.971 -7.269 760 2HD1 LEU 12 2HD1 LEU 12 55.445 3.527 -6.264 761 3HD1 LEU 12 3HD1 LEU 12 56.682 3.856 -7.476 762 1HD2 LEU 12 1HD2 LEU 12 53.919 1.199 -8.324 763 2HD2 LEU 12 2HD2 LEU 12 55.679 1.179 -8.215 764 3HD2 LEU 12 3HD2 LEU 12 54.712 1.596 -6.800 765 H GLY 13 H GLY 13 52.015 5.276 -11.791 766 1HA GLY 13 1HA GLY 13 49.746 3.618 -11.989 767 2HA GLY 13 2HA GLY 13 49.275 4.983 -10.975 768 H ALA 14 H ALA 14 48.629 4.133 -13.866 769 HA ALA 14 HA ALA 14 49.668 6.409 -15.439 770 1HB ALA 14 1HB ALA 14 48.360 3.815 -15.843 771 2HB ALA 14 2HB ALA 14 47.716 5.071 -16.900 772 3HB ALA 14 3HB ALA 14 49.440 4.699 -16.920 773 H ARG 15 H ARG 15 48.368 8.161 -16.134 774 HA ARG 15 HA ARG 15 45.688 8.383 -14.800 775 1HB ARG 15 1HB ARG 15 47.697 9.877 -14.152 776 2HB ARG 15 2HB ARG 15 47.462 10.652 -15.719 777 1HG ARG 15 1HG ARG 15 45.799 11.894 -14.855 778 2HG ARG 15 2HG ARG 15 44.904 10.423 -14.473 779 1HD ARG 15 1HD ARG 15 45.323 10.688 -12.263 780 2HD ARG 15 2HD ARG 15 47.067 10.821 -12.569 781 HE ARG 15 HE ARG 15 46.354 13.250 -13.377 782 1HH1 ARG 15 1HH2 ARG 15 46.920 12.421 -10.385 783 2HH1 ARG 15 2HH2 ARG 15 45.683 13.347 -9.601 784 1HH2 ARG 15 1HH1 ARG 15 43.959 14.023 -12.533 785 2HH2 ARG 15 2HH1 ARG 15 44.009 14.255 -10.818 786 H ALA 16 H ALA 16 47.535 9.218 -17.749 787 HA ALA 16 HA ALA 16 45.289 8.676 -19.485 788 1HB ALA 16 1HB ALA 16 45.009 10.990 -18.095 789 2HB ALA 16 2HB ALA 16 45.895 11.585 -19.499 790 3HB ALA 16 3HB ALA 16 44.351 10.759 -19.715 791 H LYS 17 H LYS 17 48.251 8.266 -19.274 792 HA LYS 17 HA LYS 17 48.950 8.528 -22.032 793 1HB LYS 17 1HB LYS 17 48.907 10.952 -20.786 794 2HB LYS 17 2HB LYS 17 50.586 10.483 -20.518 795 1HG LYS 17 1HG LYS 17 50.911 11.350 -22.600 796 2HG LYS 17 2HG LYS 17 50.276 9.796 -23.141 797 1HD LYS 17 1HD LYS 17 48.334 10.711 -23.870 798 2HD LYS 17 2HD LYS 17 48.188 11.749 -22.452 799 1HE LYS 17 1HE LYS 17 50.109 13.138 -23.499 800 2HE LYS 17 2HE LYS 17 49.731 12.266 -24.998 801 1HZ LYS 17 1HZ LYS 17 47.652 13.573 -23.337 802 2HZ LYS 17 2HZ LYS 17 48.430 14.375 -24.614 803 3HZ LYS 17 3HZ LYS 17 47.502 12.986 -24.925 Start of MODEL 15 1 1H MET 1 1H MET 1 60.669 -11.236 19.615 2 2H MET 1 2H MET 1 60.715 -10.409 21.095 3 3H MET 1 3H MET 1 61.415 -11.952 20.963 4 HA MET 1 HA MET 1 59.370 -12.308 22.058 5 1HB MET 1 1HB MET 1 58.551 -10.233 20.043 6 2HB MET 1 2HB MET 1 57.320 -11.279 20.753 7 1HG MET 1 1HG MET 1 59.048 -10.364 22.847 8 2HG MET 1 2HG MET 1 58.525 -8.968 21.905 9 1HE MET 1 1HE MET 1 58.087 -9.262 24.702 10 2HE MET 1 2HE MET 1 56.969 -8.019 24.146 11 3HE MET 1 3HE MET 1 56.390 -9.306 25.200 12 H ASP 2 H ASP 2 58.284 -11.904 18.708 13 HA ASP 2 HA ASP 2 58.783 -14.768 18.117 14 1HB ASP 2 1HB ASP 2 56.399 -13.848 19.268 15 2HB ASP 2 2HB ASP 2 56.018 -14.038 17.556 16 H ASP 3 H ASP 3 57.619 -15.170 15.815 17 HA ASP 3 HA ASP 3 58.665 -13.045 14.033 18 1HB ASP 3 1HB ASP 3 58.370 -14.816 12.330 19 2HB ASP 3 2HB ASP 3 59.250 -15.432 13.729 20 H ILE 4 H ILE 4 56.812 -11.557 14.650 21 HA ILE 4 HA ILE 4 54.106 -12.303 13.790 22 HB ILE 4 HB ILE 4 55.316 -9.636 14.591 23 1HG1 ILE 4 1HG1 ILE 4 54.023 -11.826 16.248 24 2HG1 ILE 4 2HG1 ILE 4 55.706 -11.307 16.331 25 1HG2 ILE 4 1HG2 ILE 4 52.467 -10.677 14.539 26 2HG2 ILE 4 2HG2 ILE 4 52.956 -9.141 15.257 27 3HG2 ILE 4 3HG2 ILE 4 53.137 -9.401 13.521 28 1HD1 ILE 4 1HD1 ILE 4 53.337 -9.503 16.898 29 2HD1 ILE 4 2HD1 ILE 4 54.284 -10.319 18.142 30 3HD1 ILE 4 3HD1 ILE 4 55.041 -9.103 17.112 31 H TYR 5 H TYR 5 56.605 -9.988 12.677 32 HA TYR 5 HA TYR 5 55.083 -9.262 10.290 33 1HB TYR 5 1HB TYR 5 57.955 -8.795 11.163 34 2HB TYR 5 2HB TYR 5 57.158 -7.969 9.822 35 HD1 TYR 5 HD1 TYR 5 55.165 -6.507 10.265 36 HD2 TYR 5 HD2 TYR 5 57.554 -8.153 13.433 37 HE1 TYR 5 HE1 TYR 5 54.198 -4.861 11.848 38 HE2 TYR 5 HE2 TYR 5 56.586 -6.507 15.016 39 HH TYR 5 HH TYR 5 53.920 -4.977 14.671 40 H LYS 6 H LYS 6 58.196 -10.980 10.809 41 HA LYS 6 HA LYS 6 58.803 -11.775 8.222 42 1HB LYS 6 1HB LYS 6 59.108 -12.910 10.961 43 2HB LYS 6 2HB LYS 6 59.449 -14.000 9.616 44 1HG LYS 6 1HG LYS 6 60.671 -11.551 8.938 45 2HG LYS 6 2HG LYS 6 61.059 -11.826 10.637 46 1HD LYS 6 1HD LYS 6 62.517 -13.452 10.097 47 2HD LYS 6 2HD LYS 6 61.288 -14.297 9.155 48 1HE LYS 6 1HE LYS 6 62.955 -13.767 7.549 49 2HE LYS 6 2HE LYS 6 61.764 -12.468 7.341 50 1HZ LYS 6 1HZ LYS 6 63.112 -11.353 9.232 51 2HZ LYS 6 2HZ LYS 6 64.355 -12.398 8.741 52 3HZ LYS 6 3HZ LYS 6 63.703 -11.281 7.640 53 H ALA 7 H ALA 7 56.195 -12.950 10.264 54 HA ALA 7 HA ALA 7 55.567 -15.260 8.574 55 1HB ALA 7 1HB ALA 7 54.527 -13.888 11.016 56 2HB ALA 7 2HB ALA 7 53.409 -14.930 10.136 57 3HB ALA 7 3HB ALA 7 54.916 -15.591 10.769 58 H ALA 8 H ALA 8 53.957 -12.126 9.263 59 HA ALA 8 HA ALA 8 51.812 -12.356 7.443 60 1HB ALA 8 1HB ALA 8 53.194 -10.346 9.007 61 2HB ALA 8 2HB ALA 8 52.686 -9.670 7.459 62 3HB ALA 8 3HB ALA 8 51.496 -10.402 8.535 63 H VAL 9 H VAL 9 55.189 -11.461 6.874 64 HA VAL 9 HA VAL 9 54.992 -10.375 4.264 65 HB VAL 9 HB VAL 9 57.150 -12.197 5.371 66 1HG1 VAL 9 1HG1 VAL 9 57.091 -9.973 3.320 67 2HG1 VAL 9 2HG1 VAL 9 58.589 -10.557 4.046 68 3HG1 VAL 9 3HG1 VAL 9 57.590 -11.648 3.086 69 1HG2 VAL 9 1HG2 VAL 9 56.103 -9.854 6.531 70 2HG2 VAL 9 2HG2 VAL 9 57.628 -10.643 6.935 71 3HG2 VAL 9 3HG2 VAL 9 57.594 -9.353 5.732 72 H GLU 10 H GLU 10 55.620 -13.782 5.199 73 HA GLU 10 HA GLU 10 55.506 -14.828 2.532 74 1HB GLU 10 1HB GLU 10 56.576 -16.140 4.161 75 2HB GLU 10 2HB GLU 10 55.299 -15.876 5.347 76 1HG GLU 10 1HG GLU 10 53.805 -17.350 4.196 77 2HG GLU 10 2HG GLU 10 54.866 -17.433 2.791 78 H GLN 11 H GLN 11 53.036 -13.898 4.811 79 HA GLN 11 HA GLN 11 50.907 -15.504 3.593 80 1HB GLN 11 1HB GLN 11 51.370 -13.754 5.881 81 2HB GLN 11 2HB GLN 11 49.812 -13.425 5.121 82 1HG GLN 11 1HG GLN 11 49.505 -16.004 5.129 83 2HG GLN 11 2HG GLN 11 50.813 -16.007 6.312 84 1HE2 GLN 11 2HE2 GLN 11 50.306 -13.826 7.902 85 2HE2 GLN 11 1HE2 GLN 11 48.771 -13.938 8.620 86 H LEU 12 H LEU 12 52.600 -12.963 2.412 87 HA LEU 12 HA LEU 12 50.469 -11.196 1.508 88 1HB LEU 12 1HB LEU 12 53.408 -11.604 1.017 89 2HB LEU 12 2HB LEU 12 52.500 -10.506 -0.024 90 HG LEU 12 HG LEU 12 52.514 -10.346 3.002 91 1HD1 LEU 12 1HD1 LEU 12 54.227 -9.060 0.895 92 2HD1 LEU 12 2HD1 LEU 12 53.840 -8.168 2.366 93 3HD1 LEU 12 3HD1 LEU 12 54.696 -9.706 2.467 94 1HD2 LEU 12 1HD2 LEU 12 51.035 -9.033 0.839 95 2HD2 LEU 12 2HD2 LEU 12 50.697 -9.063 2.569 96 3HD2 LEU 12 3HD2 LEU 12 51.836 -7.887 1.914 97 H THR 13 H THR 13 50.118 -10.865 -0.912 98 HA THR 13 HA THR 13 50.223 -13.478 -2.387 99 HB THR 13 HB THR 13 47.986 -12.626 -3.335 100 HG1 THR 13 HG1 THR 13 47.842 -11.110 -0.991 101 1HG2 THR 13 1HG2 THR 13 48.469 -13.518 -0.509 102 2HG2 THR 13 2HG2 THR 13 46.826 -13.168 -1.043 103 3HG2 THR 13 3HG2 THR 13 47.770 -14.416 -1.855 104 H GLU 14 H GLU 14 49.832 -13.040 -4.832 105 HA GLU 14 HA GLU 14 51.866 -11.284 -5.829 106 1HB GLU 14 1HB GLU 14 50.755 -11.888 -8.026 107 2HB GLU 14 2HB GLU 14 51.160 -13.273 -7.011 108 1HG GLU 14 1HG GLU 14 48.607 -12.504 -6.160 109 2HG GLU 14 2HG GLU 14 48.550 -12.365 -7.918 110 H GLU 15 H GLU 15 48.483 -10.783 -5.094 111 HA GLU 15 HA GLU 15 47.996 -8.504 -6.781 112 1HB GLU 15 1HB GLU 15 46.725 -10.047 -4.704 113 2HB GLU 15 2HB GLU 15 46.508 -8.329 -4.363 114 1HG GLU 15 1HG GLU 15 45.689 -7.992 -6.684 115 2HG GLU 15 2HG GLU 15 45.847 -9.725 -6.973 116 H GLN 16 H GLN 16 49.022 -8.764 -3.360 117 HA GLN 16 HA GLN 16 49.385 -5.870 -3.086 118 1HB GLN 16 1HB GLN 16 50.599 -7.946 -1.274 119 2HB GLN 16 2HB GLN 16 49.851 -6.408 -0.847 120 1HG GLN 16 1HG GLN 16 47.709 -7.618 -1.930 121 2HG GLN 16 2HG GLN 16 48.586 -9.050 -1.388 122 1HE2 GLN 16 2HE2 GLN 16 49.145 -9.150 0.972 123 2HE2 GLN 16 1HE2 GLN 16 48.199 -8.291 2.091 124 H LYS 17 H LYS 17 51.604 -8.678 -3.084 125 HA LYS 17 HA LYS 17 54.082 -7.453 -3.001 126 1HB LYS 17 1HB LYS 17 52.958 -9.918 -3.812 127 2HB LYS 17 2HB LYS 17 54.015 -9.412 -5.132 128 1HG LYS 17 1HG LYS 17 55.832 -9.960 -3.929 129 2HG LYS 17 2HG LYS 17 55.324 -8.881 -2.628 130 1HD LYS 17 1HD LYS 17 54.253 -10.573 -1.456 131 2HD LYS 17 2HD LYS 17 53.956 -11.530 -2.907 132 1HE LYS 17 1HE LYS 17 56.818 -11.098 -2.212 133 2HE LYS 17 2HE LYS 17 55.899 -12.170 -1.135 134 1HZ LYS 17 1HZ LYS 17 55.704 -12.371 -4.081 135 2HZ LYS 17 2HZ LYS 17 56.889 -13.221 -3.210 136 3HZ LYS 17 3HZ LYS 17 55.246 -13.517 -2.914 137 H ASN 18 H ASN 18 51.945 -7.703 -5.842 138 HA ASN 18 HA ASN 18 53.617 -6.636 -7.837 139 1HB ASN 18 1HB ASN 18 50.729 -6.860 -7.242 140 2HB ASN 18 2HB ASN 18 51.143 -5.600 -8.405 141 1HD2 ASN 18 2HD2 ASN 18 49.739 -7.613 -9.538 142 2HD2 ASN 18 1HD2 ASN 18 50.734 -8.669 -10.417 143 H GLU 19 H GLU 19 51.412 -4.841 -5.652 144 HA GLU 19 HA GLU 19 51.997 -2.217 -6.498 145 1HB GLU 19 1HB GLU 19 50.708 -3.591 -4.349 146 2HB GLU 19 2HB GLU 19 51.715 -2.324 -3.647 147 1HG GLU 19 1HG GLU 19 50.466 -0.642 -4.555 148 2HG GLU 19 2HG GLU 19 50.156 -1.539 -6.042 149 H PHE 20 H PHE 20 53.723 -4.285 -4.168 150 HA PHE 20 HA PHE 20 55.651 -2.273 -3.377 151 1HB PHE 20 1HB PHE 20 55.947 -5.286 -3.323 152 2HB PHE 20 2HB PHE 20 56.650 -4.114 -2.209 153 HD1 PHE 20 HD1 PHE 20 53.954 -2.411 -2.249 154 HD2 PHE 20 HD2 PHE 20 54.919 -6.516 -1.432 155 HE1 PHE 20 HE1 PHE 20 51.950 -2.593 -0.797 156 HE2 PHE 20 HE2 PHE 20 52.917 -6.698 0.020 157 HZ PHE 20 HZ PHE 20 51.433 -4.736 0.337 158 H LYS 21 H LYS 21 55.836 -5.064 -5.621 159 HA LYS 21 HA LYS 21 58.469 -4.929 -6.479 160 1HB LYS 21 1HB LYS 21 55.902 -5.846 -7.456 161 2HB LYS 21 2HB LYS 21 56.889 -5.264 -8.796 162 1HG LYS 21 1HG LYS 21 58.643 -6.727 -7.149 163 2HG LYS 21 2HG LYS 21 57.174 -7.697 -7.257 164 1HD LYS 21 1HD LYS 21 57.254 -7.713 -9.653 165 2HD LYS 21 2HD LYS 21 58.519 -6.484 -9.681 166 1HE LYS 21 1HE LYS 21 60.180 -8.002 -9.214 167 2HE LYS 21 2HE LYS 21 59.139 -8.958 -8.141 168 1HZ LYS 21 1HZ LYS 21 58.206 -8.892 -10.858 169 2HZ LYS 21 2HZ LYS 21 59.745 -9.599 -10.715 170 3HZ LYS 21 3HZ LYS 21 58.442 -10.223 -9.827 171 H ALA 22 H ALA 22 55.900 -2.626 -7.157 172 HA ALA 22 HA ALA 22 57.165 -1.285 -9.377 173 1HB ALA 22 1HB ALA 22 54.746 -1.252 -8.029 174 2HB ALA 22 2HB ALA 22 55.445 0.314 -7.612 175 3HB ALA 22 3HB ALA 22 55.211 -0.125 -9.304 176 H ALA 23 H ALA 23 56.796 -0.197 -5.974 177 HA ALA 23 HA ALA 23 58.498 2.025 -6.040 178 1HB ALA 23 1HB ALA 23 57.949 -0.057 -3.907 179 2HB ALA 23 2HB ALA 23 58.793 1.456 -3.579 180 3HB ALA 23 3HB ALA 23 57.120 1.483 -4.136 181 H PHE 24 H PHE 24 59.476 -1.252 -4.942 182 HA PHE 24 HA PHE 24 62.191 -0.922 -4.589 183 1HB PHE 24 1HB PHE 24 61.196 -3.041 -4.200 184 2HB PHE 24 2HB PHE 24 60.551 -3.131 -5.839 185 HD1 PHE 24 HD1 PHE 24 63.972 -1.978 -5.029 186 HD2 PHE 24 HD2 PHE 24 61.566 -5.243 -6.446 187 HE1 PHE 24 HE1 PHE 24 66.019 -3.163 -5.774 188 HE2 PHE 24 HE2 PHE 24 63.613 -6.427 -7.191 189 HZ PHE 24 HZ PHE 24 65.840 -5.388 -6.855 190 H ASP 25 H ASP 25 60.559 -1.418 -7.732 191 HA ASP 25 HA ASP 25 62.897 -1.462 -9.367 192 1HB ASP 25 1HB ASP 25 59.978 -0.839 -9.691 193 2HB ASP 25 2HB ASP 25 61.068 -0.533 -11.044 194 H ILE 26 H ILE 26 60.804 1.267 -8.374 195 HA ILE 26 HA ILE 26 62.481 3.230 -9.771 196 HB ILE 26 HB ILE 26 60.131 3.364 -7.859 197 1HG1 ILE 26 1HG1 ILE 26 59.216 4.346 -10.169 198 2HG1 ILE 26 2HG1 ILE 26 60.520 3.355 -10.825 199 1HG2 ILE 26 1HG2 ILE 26 61.852 5.391 -8.022 200 2HG2 ILE 26 2HG2 ILE 26 60.988 5.696 -9.528 201 3HG2 ILE 26 3HG2 ILE 26 60.112 5.676 -7.997 202 1HD1 ILE 26 1HD1 ILE 26 58.630 2.196 -8.794 203 2HD1 ILE 26 2HD1 ILE 26 58.158 2.279 -10.491 204 3HD1 ILE 26 3HD1 ILE 26 59.589 1.363 -10.017 205 H PHE 27 H PHE 27 62.146 1.967 -6.493 206 HA PHE 27 HA PHE 27 63.467 3.991 -5.015 207 1HB PHE 27 1HB PHE 27 62.688 1.201 -4.772 208 2HB PHE 27 2HB PHE 27 64.222 1.500 -3.954 209 HD1 PHE 27 HD1 PHE 27 61.310 3.784 -4.489 210 HD2 PHE 27 HD2 PHE 27 63.704 1.612 -1.660 211 HE1 PHE 27 HE1 PHE 27 60.103 4.884 -2.622 212 HE2 PHE 27 HE2 PHE 27 62.497 2.711 0.206 213 HZ PHE 27 HZ PHE 27 60.696 4.348 -0.275 214 H VAL 28 H VAL 28 64.742 1.645 -7.274 215 HA VAL 28 HA VAL 28 67.538 2.363 -6.472 216 HB VAL 28 HB VAL 28 68.130 0.256 -7.523 217 1HG1 VAL 28 1HG1 VAL 28 66.982 0.288 -5.227 218 2HG1 VAL 28 2HG1 VAL 28 65.534 -0.265 -6.067 219 3HG1 VAL 28 3HG1 VAL 28 66.992 -1.256 -6.079 220 1HG2 VAL 28 1HG2 VAL 28 65.683 0.749 -8.967 221 2HG2 VAL 28 2HG2 VAL 28 66.945 -0.432 -9.314 222 3HG2 VAL 28 3HG2 VAL 28 65.618 -0.852 -8.231 223 H LEU 29 H LEU 29 65.289 3.489 -8.524 224 HA LEU 29 HA LEU 29 66.271 3.409 -11.149 225 1HB LEU 29 1HB LEU 29 64.287 4.677 -9.777 226 2HB LEU 29 2HB LEU 29 65.353 6.038 -10.124 227 HG LEU 29 HG LEU 29 64.460 4.064 -12.238 228 1HD1 LEU 29 1HD1 LEU 29 62.511 5.262 -11.256 229 2HD1 LEU 29 2HD1 LEU 29 63.308 6.797 -11.597 230 3HD1 LEU 29 3HD1 LEU 29 62.816 5.746 -12.925 231 1HD2 LEU 29 1HD2 LEU 29 66.246 6.381 -12.112 232 2HD2 LEU 29 2HD2 LEU 29 66.098 5.150 -13.365 233 3HD2 LEU 29 3HD2 LEU 29 65.017 6.544 -13.366 234 H GLY 30 H GLY 30 68.618 3.403 -11.079 235 1HA GLY 30 1HA GLY 30 70.264 5.204 -11.838 236 2HA GLY 30 2HA GLY 30 69.833 6.036 -10.343 237 H ALA 31 H ALA 31 69.653 3.118 -9.196 238 HA ALA 31 HA ALA 31 72.188 3.129 -7.865 239 1HB ALA 31 1HB ALA 31 70.059 2.087 -7.077 240 2HB ALA 31 2HB ALA 31 70.225 0.858 -8.331 241 3HB ALA 31 3HB ALA 31 71.411 0.957 -7.029 242 H GLU 32 H GLU 32 73.503 0.882 -7.974 243 HA GLU 32 HA GLU 32 74.270 0.524 -10.848 244 1HB GLU 32 1HB GLU 32 75.909 -0.192 -8.412 245 2HB GLU 32 2HB GLU 32 76.476 0.188 -10.037 246 1HG GLU 32 1HG GLU 32 75.243 2.506 -9.508 247 2HG GLU 32 2HG GLU 32 75.617 2.028 -7.851 248 H ASP 33 H ASP 33 74.189 -1.328 -7.776 249 HA ASP 33 HA ASP 33 74.139 -3.890 -9.198 250 1HB ASP 33 1HB ASP 33 75.094 -3.100 -6.837 251 2HB ASP 33 2HB ASP 33 73.477 -3.553 -6.295 252 H GLY 34 H GLY 34 71.883 -2.440 -6.808 253 1HA GLY 34 1HA GLY 34 69.500 -2.335 -8.056 254 2HA GLY 34 2HA GLY 34 69.697 -4.083 -7.925 255 H CYS 35 H CYS 35 70.664 -1.583 -5.580 256 HA CYS 35 HA CYS 35 68.672 -2.753 -3.666 257 1HB CYS 35 1HB CYS 35 71.596 -2.041 -3.315 258 2HB CYS 35 2HB CYS 35 70.518 -2.344 -1.952 259 HG CYS 35 HG CYS 35 70.527 -4.600 -4.033 260 H ILE 36 H ILE 36 68.868 -1.098 -1.574 261 HA ILE 36 HA ILE 36 68.558 1.664 -2.709 262 HB ILE 36 HB ILE 36 66.998 0.379 -0.446 263 1HG1 ILE 36 1HG1 ILE 36 65.892 0.922 -3.193 264 2HG1 ILE 36 2HG1 ILE 36 66.758 -0.582 -2.881 265 1HG2 ILE 36 1HG2 ILE 36 67.086 3.042 -1.739 266 2HG2 ILE 36 2HG2 ILE 36 65.470 2.387 -1.476 267 3HG2 ILE 36 3HG2 ILE 36 66.568 2.597 -0.113 268 1HD1 ILE 36 1HD1 ILE 36 64.817 0.061 -0.785 269 2HD1 ILE 36 2HD1 ILE 36 64.071 -0.145 -2.370 270 3HD1 ILE 36 3HD1 ILE 36 65.046 -1.442 -1.679 271 H SER 37 H SER 37 69.386 3.341 -1.445 272 HA SER 37 HA SER 37 70.501 2.774 1.248 273 1HB SER 37 1HB SER 37 72.067 2.268 -0.835 274 2HB SER 37 2HB SER 37 72.262 4.016 -0.823 275 HG SER 37 HG SER 37 73.307 2.145 0.833 276 H THR 38 H THR 38 68.392 4.440 0.181 277 HA THR 38 HA THR 38 67.528 6.588 0.684 278 HB THR 38 HB THR 38 68.711 7.954 2.152 279 HG1 THR 38 HG1 THR 38 70.687 8.541 1.789 280 1HG2 THR 38 1HG2 THR 38 68.826 5.286 2.671 281 2HG2 THR 38 2HG2 THR 38 70.536 5.709 2.754 282 3HG2 THR 38 3HG2 THR 38 69.373 6.530 3.795 283 H LYS 39 H LYS 39 70.821 6.671 -0.747 284 HA LYS 39 HA LYS 39 70.645 9.005 -2.271 285 1HB LYS 39 1HB LYS 39 71.985 6.359 -2.458 286 2HB LYS 39 2HB LYS 39 71.954 7.308 -3.944 287 1HG LYS 39 1HG LYS 39 72.707 9.268 -2.340 288 2HG LYS 39 2HG LYS 39 73.261 7.939 -1.320 289 1HD LYS 39 1HD LYS 39 75.124 7.887 -2.592 290 2HD LYS 39 2HD LYS 39 74.113 7.233 -3.884 291 1HE LYS 39 1HE LYS 39 74.650 10.184 -3.376 292 2HE LYS 39 2HE LYS 39 75.300 9.216 -4.716 293 1HZ LYS 39 1HZ LYS 39 72.928 8.628 -5.231 294 2HZ LYS 39 2HZ LYS 39 72.457 9.842 -4.146 295 3HZ LYS 39 3HZ LYS 39 73.349 10.246 -5.533 296 H GLU 40 H GLU 40 69.404 5.758 -3.086 297 HA GLU 40 HA GLU 40 68.095 6.814 -5.533 298 1HB GLU 40 1HB GLU 40 67.939 4.025 -4.371 299 2HB GLU 40 2HB GLU 40 67.800 4.509 -6.060 300 1HG GLU 40 1HG GLU 40 70.326 4.821 -4.415 301 2HG GLU 40 2HG GLU 40 70.012 3.461 -5.491 302 H LEU 41 H LEU 41 67.336 5.586 -2.313 303 HA LEU 41 HA LEU 41 64.484 5.394 -2.628 304 1HB LEU 41 1HB LEU 41 65.109 4.289 -0.734 305 2HB LEU 41 2HB LEU 41 66.570 5.255 -0.559 306 HG LEU 41 HG LEU 41 65.177 7.109 0.379 307 1HD1 LEU 41 1HD1 LEU 41 63.072 6.053 -0.791 308 2HD1 LEU 41 2HD1 LEU 41 62.948 5.126 0.704 309 3HD1 LEU 41 3HD1 LEU 41 62.886 6.887 0.751 310 1HD2 LEU 41 1HD2 LEU 41 65.254 4.385 1.664 311 2HD2 LEU 41 2HD2 LEU 41 66.223 5.810 2.038 312 3HD2 LEU 41 3HD2 LEU 41 64.526 5.750 2.511 313 H GLY 42 H GLY 42 66.637 8.019 -1.538 314 1HA GLY 42 1HA GLY 42 64.593 9.829 -0.710 315 2HA GLY 42 2HA GLY 42 66.214 10.306 -1.220 316 H LYS 43 H LYS 43 66.077 9.244 -3.884 317 HA LYS 43 HA LYS 43 65.085 11.392 -5.374 318 1HB LYS 43 1HB LYS 43 65.592 8.475 -5.887 319 2HB LYS 43 2HB LYS 43 64.886 9.460 -7.170 320 1HG LYS 43 1HG LYS 43 67.328 10.421 -5.696 321 2HG LYS 43 2HG LYS 43 67.486 9.273 -7.026 322 1HD LYS 43 1HD LYS 43 67.587 11.203 -8.257 323 2HD LYS 43 2HD LYS 43 65.833 11.039 -8.195 324 1HE LYS 43 1HE LYS 43 65.676 12.997 -7.070 325 2HE LYS 43 2HE LYS 43 66.745 12.368 -5.799 326 1HZ LYS 43 1HZ LYS 43 67.971 13.046 -8.359 327 2HZ LYS 43 2HZ LYS 43 67.473 14.348 -7.386 328 3HZ LYS 43 3HZ LYS 43 68.586 13.213 -6.788 329 H VAL 44 H VAL 44 63.338 8.591 -4.117 330 HA VAL 44 HA VAL 44 60.905 9.101 -5.647 331 HB VAL 44 HB VAL 44 61.733 7.364 -3.317 332 1HG1 VAL 44 1HG1 VAL 44 59.014 8.138 -4.171 333 2HG1 VAL 44 2HG1 VAL 44 59.277 6.397 -4.054 334 3HG1 VAL 44 3HG1 VAL 44 59.557 7.428 -2.650 335 1HG2 VAL 44 1HG2 VAL 44 61.655 7.140 -6.184 336 2HG2 VAL 44 2HG2 VAL 44 62.243 5.964 -5.007 337 3HG2 VAL 44 3HG2 VAL 44 60.546 5.959 -5.487 338 H MET 45 H MET 45 62.085 9.855 -2.377 339 HA MET 45 HA MET 45 59.770 10.801 -1.126 340 1HB MET 45 1HB MET 45 62.683 11.286 -1.047 341 2HB MET 45 2HB MET 45 61.712 12.591 -0.365 342 1HG MET 45 1HG MET 45 62.289 10.915 1.357 343 2HG MET 45 2HG MET 45 60.548 10.982 1.088 344 1HE MET 45 1HE MET 45 59.210 9.623 0.508 345 2HE MET 45 2HE MET 45 59.428 8.649 -0.944 346 3HE MET 45 3HE MET 45 59.396 7.877 0.648 347 H ARG 46 H ARG 46 61.844 12.499 -3.476 348 HA ARG 46 HA ARG 46 60.541 15.045 -3.350 349 1HB ARG 46 1HB ARG 46 61.895 13.714 -5.716 350 2HB ARG 46 2HB ARG 46 61.774 15.445 -5.399 351 1HG ARG 46 1HG ARG 46 62.938 14.047 -3.132 352 2HG ARG 46 2HG ARG 46 63.861 13.751 -4.606 353 1HD ARG 46 1HD ARG 46 63.049 16.556 -4.360 354 2HD ARG 46 2HD ARG 46 64.079 16.021 -3.018 355 HE ARG 46 HE ARG 46 65.095 15.012 -5.518 356 1HH1 ARG 46 1HH1 ARG 46 64.337 18.183 -4.943 357 2HH1 ARG 46 2HH1 ARG 46 65.960 18.785 -4.976 358 1HH2 ARG 46 1HH2 ARG 46 67.411 15.636 -4.979 359 2HH2 ARG 46 2HH2 ARG 46 67.700 17.344 -5.000 360 H MET 47 H MET 47 59.695 12.044 -4.959 361 HA MET 47 HA MET 47 57.830 13.207 -6.857 362 1HB MET 47 1HB MET 47 58.868 10.612 -6.030 363 2HB MET 47 2HB MET 47 57.142 10.540 -6.394 364 1HG MET 47 1HG MET 47 57.580 10.640 -8.597 365 2HG MET 47 2HG MET 47 58.424 12.172 -8.372 366 1HE MET 47 1HE MET 47 58.726 8.728 -7.060 367 2HE MET 47 2HE MET 47 58.955 8.168 -8.715 368 3HE MET 47 3HE MET 47 60.292 8.093 -7.559 369 H LEU 48 H LEU 48 57.508 11.744 -3.617 370 HA LEU 48 HA LEU 48 54.585 12.069 -3.624 371 1HB LEU 48 1HB LEU 48 56.519 11.387 -1.387 372 2HB LEU 48 2HB LEU 48 54.784 11.070 -1.410 373 HG LEU 48 HG LEU 48 55.925 9.961 -3.788 374 1HD1 LEU 48 1HD1 LEU 48 58.010 10.046 -2.269 375 2HD1 LEU 48 2HD1 LEU 48 57.192 8.826 -1.292 376 3HD1 LEU 48 3HD1 LEU 48 57.593 8.485 -2.976 377 1HD2 LEU 48 1HD2 LEU 48 54.406 9.099 -1.378 378 2HD2 LEU 48 2HD2 LEU 48 54.039 8.851 -3.086 379 3HD2 LEU 48 3HD2 LEU 48 55.228 7.827 -2.282 380 H GLY 49 H GLY 49 56.961 14.293 -3.455 381 1HA GLY 49 1HA GLY 49 57.067 16.475 -2.599 382 2HA GLY 49 2HA GLY 49 55.337 16.330 -2.286 383 H GLN 50 H GLN 50 58.266 14.745 -0.959 384 HA GLN 50 HA GLN 50 57.446 15.677 1.758 385 1HB GLN 50 1HB GLN 50 56.964 13.134 0.705 386 2HB GLN 50 2HB GLN 50 58.408 12.923 1.696 387 1HG GLN 50 1HG GLN 50 57.294 13.864 3.630 388 2HG GLN 50 2HG GLN 50 55.885 14.296 2.661 389 1HE2 GLN 50 2HE2 GLN 50 55.675 12.561 4.946 390 2HE2 GLN 50 1HE2 GLN 50 55.243 11.013 4.396 391 H ASN 51 H ASN 51 59.708 16.089 -0.319 392 HA ASN 51 HA ASN 51 62.183 15.146 0.080 393 1HB ASN 51 1HB ASN 51 61.432 18.070 0.394 394 2HB ASN 51 2HB ASN 51 62.993 17.456 -0.152 395 1HD2 ASN 51 2HD2 ASN 51 60.099 18.668 -1.317 396 2HD2 ASN 51 1HD2 ASN 51 60.117 17.971 -2.864 397 HA PRO 52 HA PRO 52 62.281 15.451 4.620 398 1HB PRO 52 1HB PRO 52 63.323 12.957 5.022 399 2HB PRO 52 2HB PRO 52 61.587 13.256 4.815 400 1HG PRO 52 1HG PRO 52 63.526 12.074 2.944 401 2HG PRO 52 2HG PRO 52 61.774 11.862 3.044 402 1HD PRO 52 1HD PRO 52 63.193 13.489 1.216 403 2HD PRO 52 2HD PRO 52 61.434 13.421 1.447 404 H THR 53 H THR 53 64.401 14.500 6.006 405 HA THR 53 HA THR 53 66.698 15.932 4.795 406 HB THR 53 HB THR 53 67.520 15.257 7.251 407 HG1 THR 53 HG1 THR 53 65.023 15.511 8.134 408 1HG2 THR 53 1HG2 THR 53 65.479 17.351 6.482 409 2HG2 THR 53 2HG2 THR 53 66.235 17.302 8.076 410 3HG2 THR 53 3HG2 THR 53 67.226 17.545 6.637 411 HA PRO 54 HA PRO 54 69.046 12.327 3.936 412 1HB PRO 54 1HB PRO 54 71.547 12.970 4.836 413 2HB PRO 54 2HB PRO 54 70.820 13.706 3.394 414 1HG PRO 54 1HG PRO 54 71.104 14.804 6.138 415 2HG PRO 54 2HG PRO 54 71.210 15.627 4.574 416 1HD PRO 54 1HD PRO 54 69.015 15.711 6.227 417 2HD PRO 54 2HD PRO 54 68.962 15.984 4.472 418 H GLU 55 H GLU 55 69.774 13.537 7.231 419 HA GLU 55 HA GLU 55 70.709 11.063 8.311 420 1HB GLU 55 1HB GLU 55 69.844 13.721 9.196 421 2HB GLU 55 2HB GLU 55 69.500 12.462 10.384 422 1HG GLU 55 1HG GLU 55 71.811 11.755 10.404 423 2HG GLU 55 2HG GLU 55 72.199 12.823 9.054 424 H GLU 56 H GLU 56 67.441 12.439 8.030 425 HA GLU 56 HA GLU 56 66.159 10.331 9.573 426 1HB GLU 56 1HB GLU 56 65.520 12.812 8.206 427 2HB GLU 56 2HB GLU 56 64.307 11.580 7.859 428 1HG GLU 56 1HG GLU 56 63.475 11.687 9.954 429 2HG GLU 56 2HG GLU 56 65.084 11.560 10.666 430 H LEU 57 H LEU 57 67.315 10.601 6.334 431 HA LEU 57 HA LEU 57 65.489 8.903 4.939 432 1HB LEU 57 1HB LEU 57 67.966 10.260 4.548 433 2HB LEU 57 2HB LEU 57 68.194 8.591 4.024 434 HG LEU 57 HG LEU 57 65.957 10.434 3.133 435 1HD1 LEU 57 1HD1 LEU 57 68.653 9.831 2.114 436 2HD1 LEU 57 2HD1 LEU 57 67.376 9.645 0.910 437 3HD1 LEU 57 3HD1 LEU 57 67.587 11.186 1.742 438 1HD2 LEU 57 1HD2 LEU 57 65.482 7.916 3.330 439 2HD2 LEU 57 2HD2 LEU 57 65.211 8.643 1.746 440 3HD2 LEU 57 3HD2 LEU 57 66.673 7.703 2.047 441 H GLN 58 H GLN 58 68.787 7.996 6.008 442 HA GLN 58 HA GLN 58 68.706 5.262 5.713 443 1HB GLN 58 1HB GLN 58 70.125 7.218 7.269 444 2HB GLN 58 2HB GLN 58 69.863 5.783 8.262 445 1HG GLN 58 1HG GLN 58 71.007 5.740 5.454 446 2HG GLN 58 2HG GLN 58 71.973 5.660 6.928 447 1HE2 GLN 58 2HE2 GLN 58 70.930 3.648 4.604 448 2HE2 GLN 58 1HE2 GLN 58 70.626 2.243 5.507 449 H GLU 59 H GLU 59 67.105 7.124 8.276 450 HA GLU 59 HA GLU 59 66.405 5.123 10.100 451 1HB GLU 59 1HB GLU 59 64.683 7.374 9.012 452 2HB GLU 59 2HB GLU 59 64.467 6.578 10.568 453 1HG GLU 59 1HG GLU 59 66.977 7.258 10.951 454 2HG GLU 59 2HG GLU 59 66.647 8.448 9.690 455 H MET 60 H MET 60 64.818 5.913 7.001 456 HA MET 60 HA MET 60 62.641 4.074 7.212 457 1HB MET 60 1HB MET 60 64.179 5.379 4.967 458 2HB MET 60 2HB MET 60 62.842 4.281 4.626 459 1HG MET 60 1HG MET 60 61.481 6.064 4.889 460 2HG MET 60 2HG MET 60 61.830 5.945 6.613 461 1HE MET 60 1HE MET 60 61.411 7.679 3.888 462 2HE MET 60 2HE MET 60 61.576 9.267 4.651 463 3HE MET 60 3HE MET 60 62.752 8.735 3.452 464 H ILE 61 H ILE 61 65.937 3.695 5.903 465 HA ILE 61 HA ILE 61 65.555 0.980 4.977 466 HB ILE 61 HB ILE 61 67.908 2.770 5.609 467 1HG1 ILE 61 1HG1 ILE 61 68.107 2.205 3.005 468 2HG1 ILE 61 2HG1 ILE 61 66.381 1.890 3.191 469 1HG2 ILE 61 1HG2 ILE 61 67.871 -0.129 5.311 470 2HG2 ILE 61 2HG2 ILE 61 68.845 0.639 4.058 471 3HG2 ILE 61 3HG2 ILE 61 69.208 0.929 5.760 472 1HD1 ILE 61 1HD1 ILE 61 67.539 4.407 4.344 473 2HD1 ILE 61 2HD1 ILE 61 67.216 4.324 2.612 474 3HD1 ILE 61 3HD1 ILE 61 65.902 4.095 3.767 475 H ASP 62 H ASP 62 66.627 2.433 8.026 476 HA ASP 62 HA ASP 62 67.666 0.056 9.252 477 1HB ASP 62 1HB ASP 62 66.681 2.756 10.062 478 2HB ASP 62 2HB ASP 62 66.845 1.544 11.332 479 H GLU 63 H GLU 63 64.422 1.557 9.331 480 HA GLU 63 HA GLU 63 63.062 -0.048 11.136 481 1HB GLU 63 1HB GLU 63 62.438 1.819 9.260 482 2HB GLU 63 2HB GLU 63 61.744 0.382 8.509 483 1HG GLU 63 1HG GLU 63 59.953 0.943 9.831 484 2HG GLU 63 2HG GLU 63 60.860 0.016 11.027 485 H VAL 64 H VAL 64 64.350 -0.975 8.011 486 HA VAL 64 HA VAL 64 63.406 -3.774 8.510 487 HB VAL 64 HB VAL 64 63.096 -3.829 5.963 488 1HG1 VAL 64 1HG1 VAL 64 61.425 -2.763 8.060 489 2HG1 VAL 64 2HG1 VAL 64 61.066 -1.942 6.542 490 3HG1 VAL 64 3HG1 VAL 64 60.952 -3.699 6.642 491 1HG2 VAL 64 1HG2 VAL 64 64.419 -1.761 5.535 492 2HG2 VAL 64 2HG2 VAL 64 62.790 -1.655 4.868 493 3HG2 VAL 64 3HG2 VAL 64 63.183 -0.821 6.371 494 H ASP 65 H ASP 65 65.930 -3.056 9.278 495 HA ASP 65 HA ASP 65 67.688 -4.050 7.055 496 1HB ASP 65 1HB ASP 65 67.814 -1.613 8.034 497 2HB ASP 65 2HB ASP 65 68.628 -2.397 9.388 498 H GLU 66 H GLU 66 67.514 -6.277 7.728 499 HA GLU 66 HA GLU 66 68.305 -6.938 10.519 500 1HB GLU 66 1HB GLU 66 66.387 -7.906 8.890 501 2HB GLU 66 2HB GLU 66 67.698 -9.003 8.453 502 1HG GLU 66 1HG GLU 66 67.285 -8.501 11.359 503 2HG GLU 66 2HG GLU 66 66.068 -9.480 10.539 504 H ASP 67 H ASP 67 70.125 -5.981 8.149 505 HA ASP 67 HA ASP 67 72.200 -8.092 8.576 506 1HB ASP 67 1HB ASP 67 72.732 -7.727 6.095 507 2HB ASP 67 2HB ASP 67 71.231 -8.587 6.444 508 H GLY 68 H GLY 68 71.500 -5.049 9.245 509 1HA GLY 68 1HA GLY 68 72.699 -3.024 9.402 510 2HA GLY 68 2HA GLY 68 74.048 -4.099 9.779 511 H SER 69 H SER 69 72.305 -3.886 6.695 512 HA SER 69 HA SER 69 74.893 -3.438 5.321 513 1HB SER 69 1HB SER 69 73.664 -4.140 3.378 514 2HB SER 69 2HB SER 69 73.126 -5.171 4.700 515 HG SER 69 HG SER 69 71.801 -3.125 3.345 516 H GLY 70 H GLY 70 72.456 -1.530 6.618 517 1HA GLY 70 1HA GLY 70 71.921 0.740 6.358 518 2HA GLY 70 2HA GLY 70 73.432 0.892 5.459 519 H THR 71 H THR 71 71.274 -1.480 4.255 520 HA THR 71 HA THR 71 70.132 0.426 2.253 521 HB THR 71 HB THR 71 70.804 -1.309 0.517 522 HG1 THR 71 HG1 THR 71 71.351 -3.095 1.515 523 1HG2 THR 71 1HG2 THR 71 72.335 0.721 1.788 524 2HG2 THR 71 2HG2 THR 71 73.426 -0.622 1.447 525 3HG2 THR 71 3HG2 THR 71 72.498 0.113 0.140 526 H VAL 72 H VAL 72 68.629 -1.088 0.733 527 HA VAL 72 HA VAL 72 67.180 -3.051 2.462 528 HB VAL 72 HB VAL 72 66.115 -0.638 0.974 529 1HG1 VAL 72 1HG1 VAL 72 64.819 -3.197 1.685 530 2HG1 VAL 72 2HG1 VAL 72 63.950 -1.758 2.222 531 3HG1 VAL 72 3HG1 VAL 72 64.327 -1.974 0.512 532 1HG2 VAL 72 1HG2 VAL 72 66.999 -0.317 3.275 533 2HG2 VAL 72 2HG2 VAL 72 65.259 -0.041 3.194 534 3HG2 VAL 72 3HG2 VAL 72 65.882 -1.552 3.857 535 H ASP 73 H ASP 73 66.296 -4.775 1.310 536 HA ASP 73 HA ASP 73 66.741 -4.757 -1.661 537 1HB ASP 73 1HB ASP 73 66.840 -7.147 0.195 538 2HB ASP 73 2HB ASP 73 67.461 -7.031 -1.452 539 H PHE 74 H PHE 74 65.294 -6.447 -2.762 540 HA PHE 74 HA PHE 74 62.575 -5.912 -2.469 541 1HB PHE 74 1HB PHE 74 63.838 -7.146 -4.300 542 2HB PHE 74 2HB PHE 74 63.777 -8.577 -3.273 543 HD1 PHE 74 HD1 PHE 74 61.142 -5.963 -3.632 544 HD2 PHE 74 HD2 PHE 74 62.329 -9.996 -4.510 545 HE1 PHE 74 HE1 PHE 74 58.855 -6.459 -4.446 546 HE2 PHE 74 HE2 PHE 74 60.041 -10.492 -5.326 547 HZ PHE 74 HZ PHE 74 58.304 -8.723 -5.293 548 H ASP 75 H ASP 75 64.577 -7.986 -0.505 549 HA ASP 75 HA ASP 75 62.358 -9.502 0.665 550 1HB ASP 75 1HB ASP 75 65.198 -9.126 1.661 551 2HB ASP 75 2HB ASP 75 64.125 -10.492 1.974 552 H GLU 76 H GLU 76 64.635 -7.032 1.939 553 HA GLU 76 HA GLU 76 63.305 -6.671 4.445 554 1HB GLU 76 1HB GLU 76 65.026 -4.810 2.771 555 2HB GLU 76 2HB GLU 76 64.679 -4.593 4.487 556 1HG GLU 76 1HG GLU 76 65.817 -6.633 5.058 557 2HG GLU 76 2HG GLU 76 65.964 -7.093 3.361 558 H PHE 77 H PHE 77 63.015 -4.900 1.352 559 HA PHE 77 HA PHE 77 61.304 -2.816 2.083 560 1HB PHE 77 1HB PHE 77 62.347 -3.416 -0.166 561 2HB PHE 77 2HB PHE 77 61.008 -4.543 -0.389 562 HD1 PHE 77 HD1 PHE 77 61.782 -0.956 0.310 563 HD2 PHE 77 HD2 PHE 77 58.909 -3.790 -1.161 564 HE1 PHE 77 HE1 PHE 77 60.336 0.908 -0.456 565 HE2 PHE 77 HE2 PHE 77 57.463 -1.927 -1.927 566 HZ PHE 77 HZ PHE 77 58.177 0.422 -1.575 567 H LEU 78 H LEU 78 60.378 -6.164 1.219 568 HA LEU 78 HA LEU 78 57.580 -5.947 1.387 569 1HB LEU 78 1HB LEU 78 59.653 -8.051 1.841 570 2HB LEU 78 2HB LEU 78 58.001 -8.419 2.338 571 HG LEU 78 HG LEU 78 58.784 -7.424 -0.417 572 1HD1 LEU 78 1HD1 LEU 78 59.493 -9.822 0.382 573 2HD1 LEU 78 2HD1 LEU 78 57.777 -10.187 0.208 574 3HD1 LEU 78 3HD1 LEU 78 58.705 -9.633 -1.184 575 1HD2 LEU 78 1HD2 LEU 78 56.351 -7.274 0.864 576 2HD2 LEU 78 2HD2 LEU 78 56.560 -7.341 -0.885 577 3HD2 LEU 78 3HD2 LEU 78 56.225 -8.817 0.019 578 H VAL 79 H VAL 79 59.919 -6.560 4.024 579 HA VAL 79 HA VAL 79 57.979 -6.803 6.128 580 HB VAL 79 HB VAL 79 60.873 -5.883 6.154 581 1HG1 VAL 79 1HG1 VAL 79 59.160 -5.725 8.235 582 2HG1 VAL 79 2HG1 VAL 79 59.657 -7.409 8.398 583 3HG1 VAL 79 3HG1 VAL 79 60.866 -6.126 8.435 584 1HG2 VAL 79 1HG2 VAL 79 60.487 -8.074 5.026 585 2HG2 VAL 79 2HG2 VAL 79 61.394 -8.247 6.528 586 3HG2 VAL 79 3HG2 VAL 79 59.680 -8.655 6.481 587 H MET 80 H MET 80 59.247 -4.046 4.432 588 HA MET 80 HA MET 80 58.799 -2.062 6.496 589 1HB MET 80 1HB MET 80 60.240 -2.035 4.334 590 2HB MET 80 2HB MET 80 58.738 -1.605 3.514 591 1HG MET 80 1HG MET 80 58.777 0.073 5.735 592 2HG MET 80 2HG MET 80 60.458 0.042 5.204 593 1HE MET 80 1HE MET 80 61.016 -0.034 2.667 594 2HE MET 80 2HE MET 80 60.579 1.411 1.759 595 3HE MET 80 3HE MET 80 61.336 1.570 3.342 596 H MET 81 H MET 81 56.883 -3.170 3.683 597 HA MET 81 HA MET 81 54.700 -1.345 4.038 598 1HB MET 81 1HB MET 81 55.112 -4.030 2.723 599 2HB MET 81 2HB MET 81 53.533 -3.243 2.694 600 1HG MET 81 1HG MET 81 56.123 -2.007 1.712 601 2HG MET 81 2HG MET 81 54.858 -2.677 0.681 602 1HE MET 81 1HE MET 81 56.067 -0.219 0.270 603 2HE MET 81 2HE MET 81 54.997 1.179 0.323 604 3HE MET 81 3HE MET 81 56.072 0.852 1.678 605 H VAL 82 H VAL 82 55.404 -4.532 5.423 606 HA VAL 82 HA VAL 82 52.864 -5.139 6.537 607 HB VAL 82 HB VAL 82 55.619 -5.662 7.699 608 1HG1 VAL 82 1HG1 VAL 82 53.689 -6.276 9.137 609 2HG1 VAL 82 2HG1 VAL 82 53.036 -7.250 7.819 610 3HG1 VAL 82 3HG1 VAL 82 54.565 -7.699 8.575 611 1HG2 VAL 82 1HG2 VAL 82 54.197 -6.722 5.298 612 2HG2 VAL 82 2HG2 VAL 82 55.925 -6.499 5.571 613 3HG2 VAL 82 3HG2 VAL 82 55.091 -7.879 6.284 614 H ARG 83 H ARG 83 55.618 -3.379 8.009 615 HA ARG 83 HA ARG 83 54.139 -2.716 10.427 616 1HB ARG 83 1HB ARG 83 56.697 -1.656 9.181 617 2HB ARG 83 2HB ARG 83 56.174 -1.328 10.833 618 1HG ARG 83 1HG ARG 83 56.254 -3.704 11.376 619 2HG ARG 83 2HG ARG 83 56.656 -4.101 9.704 620 1HD ARG 83 1HD ARG 83 58.853 -3.725 10.104 621 2HD ARG 83 2HD ARG 83 58.496 -2.103 10.730 622 HE ARG 83 HE ARG 83 58.288 -4.589 12.391 623 1HH1 ARG 83 1HH1 ARG 83 57.039 -1.789 13.057 624 2HH1 ARG 83 2HH1 ARG 83 58.192 -1.230 14.224 625 1HH2 ARG 83 1HH2 ARG 83 60.563 -3.631 13.421 626 2HH2 ARG 83 2HH2 ARG 83 60.187 -2.274 14.430 627 H CYS 84 H CYS 84 54.017 -1.520 7.263 628 HA CYS 84 HA CYS 84 53.223 1.225 8.149 629 1HB CYS 84 1HB CYS 84 54.286 -0.060 5.661 630 2HB CYS 84 2HB CYS 84 53.303 1.394 5.488 631 HG CYS 84 HG CYS 84 55.240 2.723 6.255 632 H MET 85 H MET 85 51.774 -1.682 7.717 633 HA MET 85 HA MET 85 49.239 -0.423 6.725 634 1HB MET 85 1HB MET 85 48.842 -2.507 5.469 635 2HB MET 85 2HB MET 85 50.381 -1.791 4.988 636 1HG MET 85 1HG MET 85 51.450 -3.300 6.775 637 2HG MET 85 2HG MET 85 49.913 -4.164 6.797 638 1HE MET 85 1HE MET 85 48.830 -5.240 5.102 639 2HE MET 85 2HE MET 85 48.922 -4.219 3.668 640 3HE MET 85 3HE MET 85 49.494 -5.892 3.605 641 H LYS 86 H LYS 86 49.561 -0.503 9.399 642 HA LYS 86 HA LYS 86 48.561 -3.076 10.476 643 1HB LYS 86 1HB LYS 86 48.916 -1.878 12.634 644 2HB LYS 86 2HB LYS 86 50.351 -1.831 11.609 645 1HG LYS 86 1HG LYS 86 50.280 0.417 11.479 646 2HG LYS 86 2HG LYS 86 48.575 0.393 11.028 647 1HD LYS 86 1HD LYS 86 48.387 1.451 13.066 648 2HD LYS 86 2HD LYS 86 48.294 -0.224 13.615 649 1HE LYS 86 1HE LYS 86 51.069 0.547 13.364 650 2HE LYS 86 2HE LYS 86 50.210 1.707 14.397 651 1HZ LYS 86 1HZ LYS 86 49.104 -0.471 15.295 652 2HZ LYS 86 2HZ LYS 86 50.539 -1.190 14.736 653 3HZ LYS 86 3HZ LYS 86 50.606 0.043 15.898 654 H ASP 87 H ASP 87 46.871 -2.377 12.458 655 HA ASP 87 HA ASP 87 44.527 -1.258 10.994 656 1HB ASP 87 1HB ASP 87 44.712 -2.761 13.624 657 2HB ASP 87 2HB ASP 87 43.253 -2.479 12.673 658 H ASP 88 H ASP 88 44.419 0.955 11.317 659 HA ASP 88 HA ASP 88 44.865 1.980 14.101 660 1HB ASP 88 1HB ASP 88 46.442 2.794 12.407 661 2HB ASP 88 2HB ASP 88 45.103 3.298 11.375 662 H SER 89 H SER 89 42.740 2.089 11.259 663 HA SER 89 HA SER 89 40.879 4.017 12.389 664 1HB SER 89 1HB SER 89 41.422 3.090 9.925 665 2HB SER 89 2HB SER 89 40.074 2.024 10.316 666 HG SER 89 HG SER 89 38.752 3.721 10.441 667 1H ARG 1 1H ARG 1 60.504 8.553 6.279 668 2H ARG 1 2H ARG 1 60.260 10.225 6.456 669 3H ARG 1 3H ARG 1 60.480 9.246 7.827 670 HA ARG 1 HA ARG 1 58.376 8.227 7.584 671 1HB ARG 1 1HB ARG 1 58.842 11.055 7.724 672 2HB ARG 1 2HB ARG 1 57.309 10.784 6.895 673 1HG ARG 1 1HG ARG 1 56.488 9.428 8.725 674 2HG ARG 1 2HG ARG 1 58.060 9.477 9.524 675 1HD ARG 1 1HD ARG 1 57.243 12.178 8.995 676 2HD ARG 1 2HD ARG 1 55.917 11.332 9.818 677 HE ARG 1 HE ARG 1 57.283 11.300 11.736 678 1HH1 ARG 1 1HH1 ARG 1 59.134 12.656 9.316 679 2HH1 ARG 1 2HH1 ARG 1 60.665 12.144 9.941 680 1HH2 ARG 1 1HH2 ARG 1 59.285 10.088 12.368 681 2HH2 ARG 1 2HH2 ARG 1 60.751 10.691 11.671 682 H ILE 2 H ILE 2 56.750 7.470 6.200 683 HA ILE 2 HA ILE 2 56.397 8.617 3.509 684 HB ILE 2 HB ILE 2 58.385 7.260 3.200 685 1HG1 ILE 2 1HG1 ILE 2 55.829 5.957 2.228 686 2HG1 ILE 2 2HG1 ILE 2 56.871 7.076 1.349 687 1HG2 ILE 2 1HG2 ILE 2 57.397 5.774 5.303 688 2HG2 ILE 2 2HG2 ILE 2 57.150 4.691 3.933 689 3HG2 ILE 2 3HG2 ILE 2 58.763 5.305 4.292 690 1HD1 ILE 2 1HD1 ILE 2 58.706 5.226 1.782 691 2HD1 ILE 2 2HD1 ILE 2 57.303 4.173 1.963 692 3HD1 ILE 2 3HD1 ILE 2 57.563 5.045 0.452 693 H SER 3 H SER 3 54.426 7.900 2.566 694 HA SER 3 HA SER 3 52.583 6.509 4.429 695 1HB SER 3 1HB SER 3 52.374 8.691 2.798 696 2HB SER 3 2HB SER 3 51.686 7.443 1.764 697 HG SER 3 HG SER 3 50.284 6.912 3.493 698 H ALA 4 H ALA 4 50.930 5.697 2.039 699 HA ALA 4 HA ALA 4 52.574 3.430 0.988 700 1HB ALA 4 1HB ALA 4 50.411 3.403 2.926 701 2HB ALA 4 2HB ALA 4 49.987 2.446 1.507 702 3HB ALA 4 3HB ALA 4 51.454 2.076 2.414 703 H ASP 5 H ASP 5 49.394 5.072 0.817 704 HA ASP 5 HA ASP 5 48.840 4.155 -1.883 705 1HB ASP 5 1HB ASP 5 46.884 5.526 -1.628 706 2HB ASP 5 2HB ASP 5 47.222 4.855 -0.033 707 H ALA 6 H ALA 6 50.011 7.223 -0.474 708 HA ALA 6 HA ALA 6 50.072 8.880 -2.714 709 1HB ALA 6 1HB ALA 6 51.382 8.612 -0.146 710 2HB ALA 6 2HB ALA 6 52.518 9.237 -1.341 711 3HB ALA 6 3HB ALA 6 51.000 10.083 -1.040 712 H MET 7 H MET 7 52.543 6.462 -1.774 713 HA MET 7 HA MET 7 54.498 6.841 -3.695 714 1HB MET 7 1HB MET 7 53.298 4.548 -2.246 715 2HB MET 7 2HB MET 7 54.279 4.124 -3.649 716 1HG MET 7 1HG MET 7 55.206 5.983 -1.444 717 2HG MET 7 2HG MET 7 55.588 4.263 -1.505 718 1HE MET 7 1HE MET 7 56.316 3.193 -3.800 719 2HE MET 7 2HE MET 7 57.901 3.733 -4.373 720 3HE MET 7 3HE MET 7 57.661 3.343 -2.671 721 H MET 8 H MET 8 51.261 5.507 -4.187 722 HA MET 8 HA MET 8 51.810 4.717 -6.967 723 1HB MET 8 1HB MET 8 49.541 4.674 -5.012 724 2HB MET 8 2HB MET 8 49.159 4.526 -6.728 725 1HG MET 8 1HG MET 8 49.637 2.329 -6.509 726 2HG MET 8 2HG MET 8 51.328 2.817 -6.395 727 1HE MET 8 1HE MET 8 52.655 2.977 -4.742 728 2HE MET 8 2HE MET 8 51.989 3.938 -3.425 729 3HE MET 8 3HE MET 8 52.520 2.287 -3.119 730 H GLN 9 H GLN 9 50.077 7.325 -5.264 731 HA GLN 9 HA GLN 9 49.143 8.602 -7.712 732 1HB GLN 9 1HB GLN 9 48.756 8.748 -4.902 733 2HB GLN 9 2HB GLN 9 49.299 10.345 -5.418 734 1HG GLN 9 1HG GLN 9 47.417 9.369 -7.344 735 2HG GLN 9 2HG GLN 9 46.712 9.190 -5.737 736 1HE2 GLN 9 2HE2 GLN 9 45.364 11.052 -7.035 737 2HE2 GLN 9 1HE2 GLN 9 45.856 12.633 -6.660 738 H ALA 10 H ALA 10 51.860 9.075 -5.467 739 HA ALA 10 HA ALA 10 52.850 11.481 -6.763 740 1HB ALA 10 1HB ALA 10 54.137 9.446 -4.913 741 2HB ALA 10 2HB ALA 10 54.787 11.047 -5.269 742 3HB ALA 10 3HB ALA 10 53.258 10.888 -4.404 743 H LEU 11 H LEU 11 54.073 8.109 -6.664 744 HA LEU 11 HA LEU 11 55.183 8.521 -9.413 745 1HB LEU 11 1HB LEU 11 57.237 7.314 -8.542 746 2HB LEU 11 2HB LEU 11 56.985 8.917 -7.850 747 HG LEU 11 HG LEU 11 55.612 6.777 -6.377 748 1HD1 LEU 11 1HD1 LEU 11 58.065 6.012 -7.309 749 2HD1 LEU 11 2HD1 LEU 11 58.510 6.807 -5.799 750 3HD1 LEU 11 3HD1 LEU 11 57.373 5.459 -5.784 751 1HD2 LEU 11 1HD2 LEU 11 55.909 9.165 -5.653 752 2HD2 LEU 11 2HD2 LEU 11 56.518 7.998 -4.478 753 3HD2 LEU 11 3HD2 LEU 11 57.643 8.865 -5.525 754 H LEU 12 H LEU 12 56.398 5.980 -9.596 755 HA LEU 12 HA LEU 12 55.879 3.712 -10.023 756 1HB LEU 12 1HB LEU 12 53.666 4.135 -8.001 757 2HB LEU 12 2HB LEU 12 54.551 2.649 -8.340 758 HG LEU 12 HG LEU 12 55.881 5.146 -7.263 759 1HD1 LEU 12 1HD1 LEU 12 54.025 3.679 -5.875 760 2HD1 LEU 12 2HD1 LEU 12 55.518 2.832 -5.471 761 3HD1 LEU 12 3HD1 LEU 12 55.362 4.555 -5.129 762 1HD2 LEU 12 1HD2 LEU 12 57.298 3.462 -8.441 763 2HD2 LEU 12 2HD2 LEU 12 57.693 3.590 -6.726 764 3HD2 LEU 12 3HD2 LEU 12 56.730 2.232 -7.310 765 H GLY 13 H GLY 13 53.213 2.554 -9.917 766 1HA GLY 13 1HA GLY 13 51.925 4.067 -12.156 767 2HA GLY 13 2HA GLY 13 51.935 2.305 -12.058 768 H ALA 14 H ALA 14 49.483 3.138 -12.314 769 HA ALA 14 HA ALA 14 48.072 2.345 -9.985 770 1HB ALA 14 1HB ALA 14 48.870 5.213 -10.200 771 2HB ALA 14 2HB ALA 14 47.244 4.879 -9.604 772 3HB ALA 14 3HB ALA 14 48.646 4.218 -8.761 773 H ARG 15 H ARG 15 45.660 3.234 -10.144 774 HA ARG 15 HA ARG 15 44.956 3.588 -13.040 775 1HB ARG 15 1HB ARG 15 44.371 1.465 -11.129 776 2HB ARG 15 2HB ARG 15 42.893 2.154 -11.802 777 1HG ARG 15 1HG ARG 15 44.692 1.916 -13.966 778 2HG ARG 15 2HG ARG 15 44.807 0.402 -13.068 779 1HD ARG 15 1HD ARG 15 42.666 -0.220 -13.602 780 2HD ARG 15 2HD ARG 15 42.050 1.440 -13.475 781 HE ARG 15 HE ARG 15 43.884 0.956 -15.729 782 1HH1 ARG 15 1HH1 ARG 15 40.904 -0.326 -15.262 783 2HH1 ARG 15 2HH1 ARG 15 40.087 0.572 -16.497 784 1HH2 ARG 15 1HH2 ARG 15 42.726 2.758 -17.024 785 2HH2 ARG 15 2HH2 ARG 15 41.119 2.316 -17.496 786 H ALA 16 H ALA 16 44.749 5.911 -12.444 787 HA ALA 16 HA ALA 16 42.702 6.674 -10.475 788 1HB ALA 16 1HB ALA 16 44.963 7.813 -11.264 789 2HB ALA 16 2HB ALA 16 43.925 8.516 -12.503 790 3HB ALA 16 3HB ALA 16 43.583 8.808 -10.797 791 H LYS 17 H LYS 17 41.028 5.329 -11.785 792 HA LYS 17 HA LYS 17 39.228 5.248 -13.329 793 1HB LYS 17 1HB LYS 17 39.427 8.251 -12.980 794 2HB LYS 17 2HB LYS 17 37.968 7.297 -13.252 795 1HG LYS 17 1HG LYS 17 38.309 6.170 -11.074 796 2HG LYS 17 2HG LYS 17 39.742 7.161 -10.796 797 1HD LYS 17 1HD LYS 17 38.507 9.107 -10.491 798 2HD LYS 17 2HD LYS 17 37.146 8.513 -11.443 799 1HE LYS 17 1HE LYS 17 36.617 8.560 -9.002 800 2HE LYS 17 2HE LYS 17 36.586 6.904 -9.641 801 1HZ LYS 17 1HZ LYS 17 39.053 8.116 -8.540 802 2HZ LYS 17 2HZ LYS 17 37.953 7.286 -7.551 803 3HZ LYS 17 3HZ LYS 17 38.725 6.475 -8.829 Start of MODEL 16 1 1H MET 1 1H MET 1 57.764 -17.349 20.850 2 2H MET 1 2H MET 1 58.723 -18.698 20.482 3 3H MET 1 3H MET 1 59.309 -17.133 20.176 4 HA MET 1 HA MET 1 58.635 -17.628 18.071 5 1HB MET 1 1HB MET 1 56.688 -19.249 17.787 6 2HB MET 1 2HB MET 1 58.097 -19.908 18.616 7 1HG MET 1 1HG MET 1 56.959 -20.192 20.553 8 2HG MET 1 2HG MET 1 56.207 -18.601 20.437 9 1HE MET 1 1HE MET 1 55.369 -21.125 21.551 10 2HE MET 1 2HE MET 1 53.665 -20.711 21.380 11 3HE MET 1 3HE MET 1 54.291 -22.204 20.667 12 H ASP 2 H ASP 2 57.887 -15.601 17.495 13 HA ASP 2 HA ASP 2 54.992 -15.047 17.868 14 1HB ASP 2 1HB ASP 2 56.703 -14.116 19.712 15 2HB ASP 2 2HB ASP 2 56.916 -12.849 18.503 16 H ASP 3 H ASP 3 55.668 -15.660 15.443 17 HA ASP 3 HA ASP 3 56.983 -13.598 13.875 18 1HB ASP 3 1HB ASP 3 55.361 -16.085 13.388 19 2HB ASP 3 2HB ASP 3 55.762 -15.029 12.034 20 H ILE 4 H ILE 4 55.844 -11.616 14.307 21 HA ILE 4 HA ILE 4 52.937 -11.516 13.696 22 HB ILE 4 HB ILE 4 54.984 -9.586 14.824 23 1HG1 ILE 4 1HG1 ILE 4 52.617 -10.135 16.406 24 2HG1 ILE 4 2HG1 ILE 4 53.419 -11.639 15.953 25 1HG2 ILE 4 1HG2 ILE 4 53.232 -8.441 13.412 26 2HG2 ILE 4 2HG2 ILE 4 52.008 -9.120 14.486 27 3HG2 ILE 4 3HG2 ILE 4 53.198 -7.980 15.115 28 1HD1 ILE 4 1HD1 ILE 4 55.020 -9.319 17.013 29 2HD1 ILE 4 2HD1 ILE 4 54.204 -10.423 18.119 30 3HD1 ILE 4 3HD1 ILE 4 55.429 -11.035 17.009 31 H TYR 5 H TYR 5 56.044 -10.558 12.361 32 HA TYR 5 HA TYR 5 54.739 -8.945 10.230 33 1HB TYR 5 1HB TYR 5 57.616 -9.504 11.023 34 2HB TYR 5 2HB TYR 5 57.147 -8.439 9.696 35 HD1 TYR 5 HD1 TYR 5 57.174 -8.889 13.352 36 HD2 TYR 5 HD2 TYR 5 56.065 -6.291 10.116 37 HE1 TYR 5 HE1 TYR 5 56.836 -7.032 14.959 38 HE2 TYR 5 HE2 TYR 5 55.726 -4.434 11.724 39 HH TYR 5 HH TYR 5 55.247 -4.140 14.116 40 H LYS 6 H LYS 6 57.260 -11.501 10.351 41 HA LYS 6 HA LYS 6 57.350 -12.270 7.693 42 1HB LYS 6 1HB LYS 6 57.842 -13.428 10.315 43 2HB LYS 6 2HB LYS 6 57.316 -14.662 9.170 44 1HG LYS 6 1HG LYS 6 59.253 -12.778 8.027 45 2HG LYS 6 2HG LYS 6 59.895 -13.695 9.390 46 1HD LYS 6 1HD LYS 6 60.174 -15.452 8.014 47 2HD LYS 6 2HD LYS 6 58.421 -15.536 7.836 48 1HE LYS 6 1HE LYS 6 59.389 -13.383 6.198 49 2HE LYS 6 2HE LYS 6 60.323 -14.848 5.833 50 1HZ LYS 6 1HZ LYS 6 58.104 -16.039 5.898 51 2HZ LYS 6 2HZ LYS 6 57.380 -14.503 5.817 52 3HZ LYS 6 3HZ LYS 6 58.379 -15.037 4.553 53 H ALA 7 H ALA 7 54.818 -13.043 10.054 54 HA ALA 7 HA ALA 7 53.383 -14.973 8.509 55 1HB ALA 7 1HB ALA 7 53.228 -13.757 10.991 56 2HB ALA 7 2HB ALA 7 51.794 -13.139 10.171 57 3HB ALA 7 3HB ALA 7 52.032 -14.878 10.339 58 H ALA 8 H ALA 8 53.122 -11.416 8.684 59 HA ALA 8 HA ALA 8 50.909 -11.206 6.835 60 1HB ALA 8 1HB ALA 8 53.085 -9.273 7.704 61 2HB ALA 8 2HB ALA 8 51.619 -8.808 6.841 62 3HB ALA 8 3HB ALA 8 51.509 -9.476 8.469 63 H VAL 9 H VAL 9 54.371 -11.533 6.477 64 HA VAL 9 HA VAL 9 54.529 -10.570 3.734 65 HB VAL 9 HB VAL 9 56.369 -12.448 5.248 66 1HG1 VAL 9 1HG1 VAL 9 56.728 -11.978 2.767 67 2HG1 VAL 9 2HG1 VAL 9 57.032 -10.300 3.221 68 3HG1 VAL 9 3HG1 VAL 9 58.085 -11.581 3.822 69 1HG2 VAL 9 1HG2 VAL 9 55.519 -9.903 6.071 70 2HG2 VAL 9 2HG2 VAL 9 56.939 -10.773 6.650 71 3HG2 VAL 9 3HG2 VAL 9 57.089 -9.629 5.317 72 H GLU 10 H GLU 10 54.454 -13.802 5.259 73 HA GLU 10 HA GLU 10 54.594 -15.346 2.867 74 1HB GLU 10 1HB GLU 10 53.564 -15.712 5.669 75 2HB GLU 10 2HB GLU 10 53.308 -16.989 4.478 76 1HG GLU 10 1HG GLU 10 55.989 -15.782 5.228 77 2HG GLU 10 2HG GLU 10 55.402 -17.372 5.719 78 H GLN 11 H GLN 11 51.948 -13.581 4.339 79 HA GLN 11 HA GLN 11 49.804 -14.957 2.932 80 1HB GLN 11 1HB GLN 11 50.128 -12.352 4.434 81 2HB GLN 11 2HB GLN 11 48.592 -12.807 3.694 82 1HG GLN 11 1HG GLN 11 48.629 -14.935 4.980 83 2HG GLN 11 2HG GLN 11 50.118 -14.409 5.768 84 1HE2 GLN 11 2HE2 GLN 11 47.482 -14.896 7.077 85 2HE2 GLN 11 1HE2 GLN 11 47.039 -13.424 7.794 86 H LEU 12 H LEU 12 52.264 -13.038 1.784 87 HA LEU 12 HA LEU 12 51.027 -11.155 0.058 88 1HB LEU 12 1HB LEU 12 53.598 -12.657 0.240 89 2HB LEU 12 2HB LEU 12 53.249 -11.851 -1.291 90 HG LEU 12 HG LEU 12 52.900 -10.374 1.307 91 1HD1 LEU 12 1HD1 LEU 12 55.256 -11.501 0.954 92 2HD1 LEU 12 2HD1 LEU 12 55.468 -10.222 -0.241 93 3HD1 LEU 12 3HD1 LEU 12 55.158 -9.810 1.446 94 1HD2 LEU 12 1HD2 LEU 12 52.920 -9.808 -1.579 95 2HD2 LEU 12 2HD2 LEU 12 52.199 -8.886 -0.259 96 3HD2 LEU 12 3HD2 LEU 12 53.910 -8.692 -0.639 97 H THR 13 H THR 13 49.744 -11.474 -1.716 98 HA THR 13 HA THR 13 49.552 -14.213 -2.875 99 HB THR 13 HB THR 13 47.563 -12.847 -4.029 100 HG1 THR 13 HG1 THR 13 46.927 -11.345 -2.204 101 1HG2 THR 13 1HG2 THR 13 47.703 -13.815 -1.167 102 2HG2 THR 13 2HG2 THR 13 46.193 -13.338 -1.943 103 3HG2 THR 13 3HG2 THR 13 47.119 -14.698 -2.578 104 H GLU 14 H GLU 14 49.088 -14.092 -5.387 105 HA GLU 14 HA GLU 14 51.436 -13.058 -6.684 106 1HB GLU 14 1HB GLU 14 49.881 -15.010 -7.303 107 2HB GLU 14 2HB GLU 14 48.802 -13.791 -7.985 108 1HG GLU 14 1HG GLU 14 51.042 -12.975 -9.167 109 2HG GLU 14 2HG GLU 14 51.511 -14.656 -8.912 110 H GLU 15 H GLU 15 48.016 -11.987 -6.787 111 HA GLU 15 HA GLU 15 48.377 -9.750 -8.501 112 1HB GLU 15 1HB GLU 15 46.301 -11.001 -7.368 113 2HB GLU 15 2HB GLU 15 46.432 -9.658 -6.232 114 1HG GLU 15 1HG GLU 15 46.393 -8.078 -8.175 115 2HG GLU 15 2HG GLU 15 46.099 -9.455 -9.237 116 H GLN 16 H GLN 16 48.319 -9.841 -4.910 117 HA GLN 16 HA GLN 16 48.934 -7.069 -4.536 118 1HB GLN 16 1HB GLN 16 47.992 -8.482 -2.795 119 2HB GLN 16 2HB GLN 16 49.397 -9.547 -2.846 120 1HG GLN 16 1HG GLN 16 50.840 -7.795 -2.011 121 2HG GLN 16 2HG GLN 16 49.548 -6.602 -2.144 122 1HE2 GLN 16 2HE2 GLN 16 47.968 -6.519 -0.453 123 2HE2 GLN 16 1HE2 GLN 16 48.051 -7.494 0.934 124 H LYS 17 H LYS 17 51.056 -9.957 -4.507 125 HA LYS 17 HA LYS 17 53.527 -8.832 -3.932 126 1HB LYS 17 1HB LYS 17 52.475 -11.066 -5.563 127 2HB LYS 17 2HB LYS 17 54.126 -10.581 -5.947 128 1HG LYS 17 1HG LYS 17 54.924 -11.113 -3.825 129 2HG LYS 17 2HG LYS 17 53.340 -10.926 -3.073 130 1HD LYS 17 1HD LYS 17 52.678 -13.052 -3.617 131 2HD LYS 17 2HD LYS 17 53.580 -13.055 -5.133 132 1HE LYS 17 1HE LYS 17 55.141 -13.008 -2.572 133 2HE LYS 17 2HE LYS 17 54.408 -14.540 -3.090 134 1HZ LYS 17 1HZ LYS 17 55.343 -13.976 -5.365 135 2HZ LYS 17 2HZ LYS 17 56.304 -12.821 -4.580 136 3HZ LYS 17 3HZ LYS 17 56.464 -14.466 -4.186 137 H ASN 18 H ASN 18 51.633 -8.442 -6.876 138 HA ASN 18 HA ASN 18 53.771 -7.334 -8.495 139 1HB ASN 18 1HB ASN 18 50.742 -7.183 -8.630 140 2HB ASN 18 2HB ASN 18 51.822 -6.668 -9.927 141 1HD2 ASN 18 2HD2 ASN 18 49.826 -9.033 -9.672 142 2HD2 ASN 18 1HD2 ASN 18 50.746 -10.380 -10.144 143 H GLU 19 H GLU 19 51.407 -6.007 -6.235 144 HA GLU 19 HA GLU 19 51.782 -3.228 -6.968 145 1HB GLU 19 1HB GLU 19 50.558 -4.825 -4.747 146 2HB GLU 19 2HB GLU 19 50.802 -3.096 -4.496 147 1HG GLU 19 1HG GLU 19 49.425 -2.523 -6.345 148 2HG GLU 19 2HG GLU 19 49.451 -4.171 -6.975 149 H PHE 20 H PHE 20 53.360 -5.443 -4.704 150 HA PHE 20 HA PHE 20 54.868 -3.357 -3.327 151 1HB PHE 20 1HB PHE 20 54.881 -6.373 -3.476 152 2HB PHE 20 2HB PHE 20 56.113 -5.504 -2.558 153 HD1 PHE 20 HD1 PHE 20 52.390 -5.649 -3.003 154 HD2 PHE 20 HD2 PHE 20 55.680 -4.910 -0.341 155 HE1 PHE 20 HE1 PHE 20 50.804 -5.383 -1.116 156 HE2 PHE 20 HE2 PHE 20 54.093 -4.645 1.545 157 HZ PHE 20 HZ PHE 20 51.655 -4.882 1.158 158 H LYS 21 H LYS 21 55.622 -5.787 -5.847 159 HA LYS 21 HA LYS 21 58.374 -5.319 -6.152 160 1HB LYS 21 1HB LYS 21 58.089 -6.422 -8.218 161 2HB LYS 21 2HB LYS 21 56.693 -6.964 -7.287 162 1HG LYS 21 1HG LYS 21 55.628 -6.321 -9.236 163 2HG LYS 21 2HG LYS 21 55.587 -4.789 -8.363 164 1HD LYS 21 1HD LYS 21 56.710 -3.864 -10.083 165 2HD LYS 21 2HD LYS 21 58.099 -4.852 -9.625 166 1HE LYS 21 1HE LYS 21 57.890 -5.965 -11.586 167 2HE LYS 21 2HE LYS 21 56.306 -6.553 -11.046 168 1HZ LYS 21 1HZ LYS 21 56.537 -3.781 -11.976 169 2HZ LYS 21 2HZ LYS 21 56.501 -5.016 -13.141 170 3HZ LYS 21 3HZ LYS 21 55.210 -4.835 -12.051 171 H ALA 22 H ALA 22 55.672 -3.288 -7.058 172 HA ALA 22 HA ALA 22 57.026 -1.600 -8.959 173 1HB ALA 22 1HB ALA 22 54.533 -1.685 -7.374 174 2HB ALA 22 2HB ALA 22 55.075 -0.059 -7.794 175 3HB ALA 22 3HB ALA 22 54.772 -1.243 -9.066 176 H ALA 23 H ALA 23 56.100 -0.854 -5.569 177 HA ALA 23 HA ALA 23 57.623 1.483 -5.243 178 1HB ALA 23 1HB ALA 23 55.946 0.549 -3.667 179 2HB ALA 23 2HB ALA 23 57.072 -0.742 -3.250 180 3HB ALA 23 3HB ALA 23 57.457 0.930 -2.842 181 H PHE 24 H PHE 24 58.643 -1.901 -5.088 182 HA PHE 24 HA PHE 24 61.263 -1.445 -3.978 183 1HB PHE 24 1HB PHE 24 60.142 -3.619 -3.988 184 2HB PHE 24 2HB PHE 24 60.103 -3.619 -5.752 185 HD1 PHE 24 HD1 PHE 24 62.705 -2.903 -3.136 186 HD2 PHE 24 HD2 PHE 24 61.660 -5.065 -6.698 187 HE1 PHE 24 HE1 PHE 24 64.970 -3.911 -3.188 188 HE2 PHE 24 HE2 PHE 24 63.926 -6.074 -6.749 189 HZ PHE 24 HZ PHE 24 65.581 -5.497 -4.994 190 H ASP 25 H ASP 25 60.072 -1.765 -7.331 191 HA ASP 25 HA ASP 25 62.598 -1.527 -8.642 192 1HB ASP 25 1HB ASP 25 59.729 -0.904 -9.378 193 2HB ASP 25 2HB ASP 25 61.045 -0.759 -10.543 194 H ILE 26 H ILE 26 60.430 0.878 -7.257 195 HA ILE 26 HA ILE 26 61.851 3.131 -8.529 196 HB ILE 26 HB ILE 26 59.534 2.777 -6.625 197 1HG1 ILE 26 1HG1 ILE 26 58.667 4.272 -8.718 198 2HG1 ILE 26 2HG1 ILE 26 59.956 3.359 -9.505 199 1HG2 ILE 26 1HG2 ILE 26 61.219 5.150 -7.078 200 2HG2 ILE 26 2HG2 ILE 26 59.497 5.434 -7.332 201 3HG2 ILE 26 3HG2 ILE 26 60.069 4.818 -5.782 202 1HD1 ILE 26 1HD1 ILE 26 57.846 2.037 -7.789 203 2HD1 ILE 26 2HD1 ILE 26 57.649 2.263 -9.528 204 3HD1 ILE 26 3HD1 ILE 26 58.968 1.268 -8.912 205 H PHE 27 H PHE 27 61.630 1.551 -5.360 206 HA PHE 27 HA PHE 27 63.072 3.545 -3.866 207 1HB PHE 27 1HB PHE 27 62.274 0.673 -3.584 208 2HB PHE 27 2HB PHE 27 63.467 1.316 -2.455 209 HD1 PHE 27 HD1 PHE 27 60.843 3.387 -4.021 210 HD2 PHE 27 HD2 PHE 27 62.034 1.247 -0.493 211 HE1 PHE 27 HE1 PHE 27 59.034 4.496 -2.739 212 HE2 PHE 27 HE2 PHE 27 60.225 2.356 0.791 213 HZ PHE 27 HZ PHE 27 58.725 3.982 -0.332 214 H VAL 28 H VAL 28 64.094 0.809 -5.857 215 HA VAL 28 HA VAL 28 66.934 1.243 -5.050 216 HB VAL 28 HB VAL 28 67.274 -0.919 -6.139 217 1HG1 VAL 28 1HG1 VAL 28 65.073 -0.528 -4.177 218 2HG1 VAL 28 2HG1 VAL 28 65.185 -2.122 -4.923 219 3HG1 VAL 28 3HG1 VAL 28 66.559 -1.468 -4.030 220 1HG2 VAL 28 1HG2 VAL 28 65.019 -0.112 -7.651 221 2HG2 VAL 28 2HG2 VAL 28 65.946 -1.602 -7.828 222 3HG2 VAL 28 3HG2 VAL 28 64.532 -1.564 -6.775 223 H LEU 29 H LEU 29 64.954 2.704 -7.132 224 HA LEU 29 HA LEU 29 65.877 2.509 -9.749 225 1HB LEU 29 1HB LEU 29 64.284 4.182 -8.266 226 2HB LEU 29 2HB LEU 29 65.609 5.260 -8.705 227 HG LEU 29 HG LEU 29 63.932 3.607 -10.614 228 1HD1 LEU 29 1HD1 LEU 29 63.109 5.855 -9.513 229 2HD1 LEU 29 2HD1 LEU 29 64.232 6.596 -10.653 230 3HD1 LEU 29 3HD1 LEU 29 62.902 5.602 -11.247 231 1HD2 LEU 29 1HD2 LEU 29 66.414 3.874 -11.175 232 2HD2 LEU 29 2HD2 LEU 29 65.284 4.486 -12.383 233 3HD2 LEU 29 3HD2 LEU 29 66.102 5.606 -11.294 234 H GLY 30 H GLY 30 68.100 2.150 -10.074 235 1HA GLY 30 1HA GLY 30 70.161 3.330 -10.690 236 2HA GLY 30 2HA GLY 30 69.879 4.431 -9.341 237 H ALA 31 H ALA 31 69.080 1.986 -7.679 238 HA ALA 31 HA ALA 31 71.342 1.594 -6.140 239 1HB ALA 31 1HB ALA 31 68.855 0.668 -6.096 240 2HB ALA 31 2HB ALA 31 69.605 -0.760 -6.809 241 3HB ALA 31 3HB ALA 31 70.136 -0.180 -5.229 242 H GLU 32 H GLU 32 73.260 0.447 -6.344 243 HA GLU 32 HA GLU 32 73.937 -0.651 -8.985 244 1HB GLU 32 1HB GLU 32 76.172 -0.785 -7.991 245 2HB GLU 32 2HB GLU 32 75.444 0.770 -7.585 246 1HG GLU 32 1HG GLU 32 74.843 -1.383 -5.663 247 2HG GLU 32 2HG GLU 32 76.550 -0.947 -5.752 248 H ASP 33 H ASP 33 72.657 -1.873 -6.053 249 HA ASP 33 HA ASP 33 73.318 -4.668 -6.921 250 1HB ASP 33 1HB ASP 33 73.395 -3.312 -4.225 251 2HB ASP 33 2HB ASP 33 73.222 -5.063 -4.346 252 H GLY 34 H GLY 34 70.899 -2.756 -7.196 253 1HA GLY 34 1HA GLY 34 68.573 -3.078 -7.258 254 2HA GLY 34 2HA GLY 34 68.860 -4.757 -6.796 255 H CYS 35 H CYS 35 70.139 -2.183 -4.826 256 HA CYS 35 HA CYS 35 68.071 -2.822 -2.745 257 1HB CYS 35 1HB CYS 35 69.873 -2.532 -1.135 258 2HB CYS 35 2HB CYS 35 70.428 -3.638 -2.391 259 HG CYS 35 HG CYS 35 72.332 -1.969 -2.340 260 H ILE 36 H ILE 36 68.703 -0.797 -0.948 261 HA ILE 36 HA ILE 36 68.192 1.703 -2.533 262 HB ILE 36 HB ILE 36 66.969 0.606 0.012 263 1HG1 ILE 36 1HG1 ILE 36 65.333 1.757 -2.168 264 2HG1 ILE 36 2HG1 ILE 36 66.229 0.300 -2.601 265 1HG2 ILE 36 1HG2 ILE 36 66.756 3.394 -1.163 266 2HG2 ILE 36 2HG2 ILE 36 65.713 2.766 0.114 267 3HG2 ILE 36 3HG2 ILE 36 67.442 2.966 0.404 268 1HD1 ILE 36 1HD1 ILE 36 65.306 -0.804 -0.544 269 2HD1 ILE 36 2HD1 ILE 36 64.304 0.623 -0.283 270 3HD1 ILE 36 3HD1 ILE 36 64.069 -0.369 -1.722 271 H SER 37 H SER 37 68.967 3.670 -1.504 272 HA SER 37 HA SER 37 70.723 3.464 0.864 273 1HB SER 37 1HB SER 37 71.673 2.993 -1.722 274 2HB SER 37 2HB SER 37 72.137 4.654 -1.374 275 HG SER 37 HG SER 37 73.070 3.885 0.576 276 H THR 38 H THR 38 68.356 4.930 0.239 277 HA THR 38 HA THR 38 67.511 7.109 0.614 278 HB THR 38 HB THR 38 68.915 8.621 1.687 279 HG1 THR 38 HG1 THR 38 71.246 8.580 1.155 280 1HG2 THR 38 1HG2 THR 38 69.326 5.977 2.328 281 2HG2 THR 38 2HG2 THR 38 70.973 6.566 2.100 282 3HG2 THR 38 3HG2 THR 38 69.910 7.350 3.269 283 H LYS 39 H LYS 39 70.520 7.273 -1.356 284 HA LYS 39 HA LYS 39 69.788 9.341 -3.105 285 1HB LYS 39 1HB LYS 39 71.827 7.519 -2.839 286 2HB LYS 39 2HB LYS 39 71.068 6.973 -4.335 287 1HG LYS 39 1HG LYS 39 71.309 9.162 -5.335 288 2HG LYS 39 2HG LYS 39 71.869 9.847 -3.808 289 1HD LYS 39 1HD LYS 39 73.832 8.307 -3.881 290 2HD LYS 39 2HD LYS 39 73.295 7.745 -5.464 291 1HE LYS 39 1HE LYS 39 73.487 10.044 -6.356 292 2HE LYS 39 2HE LYS 39 74.036 10.610 -4.767 293 1HZ LYS 39 1HZ LYS 39 75.328 8.370 -6.216 294 2HZ LYS 39 2HZ LYS 39 75.857 9.979 -6.358 295 3HZ LYS 39 3HZ LYS 39 75.909 9.194 -4.852 296 H GLU 40 H GLU 40 68.837 5.925 -3.126 297 HA GLU 40 HA GLU 40 67.258 6.221 -5.605 298 1HB GLU 40 1HB GLU 40 67.389 3.944 -3.597 299 2HB GLU 40 2HB GLU 40 66.869 3.846 -5.278 300 1HG GLU 40 1HG GLU 40 69.024 3.147 -5.588 301 2HG GLU 40 2HG GLU 40 69.336 4.882 -5.642 302 H LEU 41 H LEU 41 66.793 6.059 -2.114 303 HA LEU 41 HA LEU 41 63.867 5.938 -2.272 304 1HB LEU 41 1HB LEU 41 65.534 4.991 -0.511 305 2HB LEU 41 2HB LEU 41 65.567 6.635 0.125 306 HG LEU 41 HG LEU 41 63.878 5.414 1.340 307 1HD1 LEU 41 1HD1 LEU 41 63.395 7.774 0.526 308 2HD1 LEU 41 2HD1 LEU 41 62.413 7.043 -0.744 309 3HD1 LEU 41 3HD1 LEU 41 61.977 6.813 0.949 310 1HD2 LEU 41 1HD2 LEU 41 63.156 4.464 -1.403 311 2HD2 LEU 41 2HD2 LEU 41 63.230 3.565 0.111 312 3HD2 LEU 41 3HD2 LEU 41 61.860 4.623 -0.219 313 H GLY 42 H GLY 42 66.055 8.317 -0.715 314 1HA GLY 42 1HA GLY 42 64.239 10.391 -0.360 315 2HA GLY 42 2HA GLY 42 65.949 10.670 -0.688 316 H LYS 43 H LYS 43 65.703 9.333 -3.369 317 HA LYS 43 HA LYS 43 65.243 11.637 -4.973 318 1HB LYS 43 1HB LYS 43 66.470 10.103 -6.136 319 2HB LYS 43 2HB LYS 43 65.779 8.751 -5.244 320 1HG LYS 43 1HG LYS 43 63.743 8.879 -6.635 321 2HG LYS 43 2HG LYS 43 64.446 10.220 -7.537 322 1HD LYS 43 1HD LYS 43 65.816 7.536 -7.298 323 2HD LYS 43 2HD LYS 43 64.685 7.905 -8.599 324 1HE LYS 43 1HE LYS 43 67.293 9.339 -7.985 325 2HE LYS 43 2HE LYS 43 66.887 8.418 -9.447 326 1HZ LYS 43 1HZ LYS 43 64.852 10.036 -9.460 327 2HZ LYS 43 2HZ LYS 43 65.895 11.037 -8.569 328 3HZ LYS 43 3HZ LYS 43 66.335 10.519 -10.125 329 H VAL 44 H VAL 44 63.076 9.072 -3.882 330 HA VAL 44 HA VAL 44 60.874 9.984 -5.610 331 HB VAL 44 HB VAL 44 61.326 7.867 -3.508 332 1HG1 VAL 44 1HG1 VAL 44 58.761 9.019 -4.459 333 2HG1 VAL 44 2HG1 VAL 44 58.861 7.262 -4.426 334 3HG1 VAL 44 3HG1 VAL 44 59.128 8.184 -2.949 335 1HG2 VAL 44 1HG2 VAL 44 61.992 7.701 -6.013 336 2HG2 VAL 44 2HG2 VAL 44 61.078 6.362 -5.317 337 3HG2 VAL 44 3HG2 VAL 44 60.260 7.562 -6.317 338 H MET 45 H MET 45 61.953 10.370 -2.269 339 HA MET 45 HA MET 45 59.731 11.219 -0.875 340 1HB MET 45 1HB MET 45 62.604 11.855 -0.966 341 2HB MET 45 2HB MET 45 61.623 13.124 -0.229 342 1HG MET 45 1HG MET 45 62.440 11.367 1.392 343 2HG MET 45 2HG MET 45 60.688 11.575 1.365 344 1HE MET 45 1HE MET 45 59.152 10.401 0.725 345 2HE MET 45 2HE MET 45 59.102 8.959 -0.287 346 3HE MET 45 3HE MET 45 59.326 8.811 1.462 347 H ARG 46 H ARG 46 61.774 13.569 -2.654 348 HA ARG 46 HA ARG 46 60.032 15.757 -2.600 349 1HB ARG 46 1HB ARG 46 62.111 14.697 -4.488 350 2HB ARG 46 2HB ARG 46 61.178 16.113 -4.973 351 1HG ARG 46 1HG ARG 46 61.954 17.398 -3.151 352 2HG ARG 46 2HG ARG 46 62.493 15.972 -2.263 353 1HD ARG 46 1HD ARG 46 63.782 16.219 -4.892 354 2HD ARG 46 2HD ARG 46 64.138 17.577 -3.806 355 HE ARG 46 HE ARG 46 64.314 14.850 -2.654 356 1HH1 ARG 46 1HH1 ARG 46 65.945 17.416 -4.252 357 2HH1 ARG 46 2HH1 ARG 46 67.429 17.196 -3.387 358 1HH2 ARG 46 1HH2 ARG 46 66.187 14.663 -1.372 359 2HH2 ARG 46 2HH2 ARG 46 67.566 15.638 -1.754 360 H MET 47 H MET 47 59.925 12.873 -4.631 361 HA MET 47 HA MET 47 57.863 13.868 -6.433 362 1HB MET 47 1HB MET 47 59.545 11.542 -6.022 363 2HB MET 47 2HB MET 47 57.889 11.047 -6.380 364 1HG MET 47 1HG MET 47 58.955 13.256 -8.047 365 2HG MET 47 2HG MET 47 59.698 11.676 -8.302 366 1HE MET 47 1HE MET 47 58.574 9.592 -8.761 367 2HE MET 47 2HE MET 47 57.262 9.661 -7.576 368 3HE MET 47 3HE MET 47 56.907 9.343 -9.272 369 H LEU 48 H LEU 48 57.902 11.877 -3.474 370 HA LEU 48 HA LEU 48 55.060 11.265 -3.547 371 1HB LEU 48 1HB LEU 48 57.232 11.187 -1.436 372 2HB LEU 48 2HB LEU 48 55.588 10.630 -1.128 373 HG LEU 48 HG LEU 48 57.561 9.531 -3.141 374 1HD1 LEU 48 1HD1 LEU 48 57.067 8.896 -0.488 375 2HD1 LEU 48 2HD1 LEU 48 56.084 7.725 -1.365 376 3HD1 LEU 48 3HD1 LEU 48 57.818 7.826 -1.670 377 1HD2 LEU 48 1HD2 LEU 48 54.591 9.427 -3.056 378 2HD2 LEU 48 2HD2 LEU 48 55.684 9.241 -4.429 379 3HD2 LEU 48 3HD2 LEU 48 55.408 7.888 -3.332 380 H GLY 49 H GLY 49 57.051 13.836 -2.175 381 1HA GLY 49 1HA GLY 49 55.844 16.045 -1.955 382 2HA GLY 49 2HA GLY 49 54.553 15.138 -1.164 383 H GLN 50 H GLN 50 58.034 14.657 -0.676 384 HA GLN 50 HA GLN 50 57.887 15.970 1.983 385 1HB GLN 50 1HB GLN 50 57.086 13.483 1.949 386 2HB GLN 50 2HB GLN 50 58.800 13.107 1.765 387 1HG GLN 50 1HG GLN 50 58.938 13.254 4.015 388 2HG GLN 50 2HG GLN 50 58.766 14.996 3.804 389 1HE2 GLN 50 2HE2 GLN 50 57.401 15.471 5.594 390 2HE2 GLN 50 1HE2 GLN 50 55.852 14.804 5.788 391 H ASN 51 H ASN 51 59.919 16.681 2.666 392 HA ASN 51 HA ASN 51 62.290 15.832 1.036 393 1HB ASN 51 1HB ASN 51 61.351 18.028 0.332 394 2HB ASN 51 2HB ASN 51 61.549 18.620 1.982 395 1HD2 ASN 51 2HD2 ASN 51 63.328 20.013 1.948 396 2HD2 ASN 51 1HD2 ASN 51 64.821 19.658 1.221 397 HA PRO 52 HA PRO 52 63.109 15.491 5.572 398 1HB PRO 52 1HB PRO 52 64.156 12.967 5.476 399 2HB PRO 52 2HB PRO 52 62.418 13.286 5.642 400 1HG PRO 52 1HG PRO 52 63.972 12.471 3.249 401 2HG PRO 52 2HG PRO 52 62.329 12.032 3.733 402 1HD PRO 52 1HD PRO 52 62.945 13.907 1.812 403 2HD PRO 52 2HD PRO 52 61.413 13.847 2.711 404 H THR 53 H THR 53 65.324 15.016 6.593 405 HA THR 53 HA THR 53 67.425 16.260 4.975 406 HB THR 53 HB THR 53 68.685 15.790 7.190 407 HG1 THR 53 HG1 THR 53 66.887 15.455 8.840 408 1HG2 THR 53 1HG2 THR 53 66.193 17.457 6.915 409 2HG2 THR 53 2HG2 THR 53 67.121 17.465 8.415 410 3HG2 THR 53 3HG2 THR 53 67.878 17.979 6.906 411 HA PRO 54 HA PRO 54 69.463 12.607 3.649 412 1HB PRO 54 1HB PRO 54 72.100 13.304 3.885 413 2HB PRO 54 2HB PRO 54 71.034 13.968 2.629 414 1HG PRO 54 1HG PRO 54 71.915 15.185 5.199 415 2HG PRO 54 2HG PRO 54 71.700 15.936 3.610 416 1HD PRO 54 1HD PRO 54 69.889 16.162 5.635 417 2HD PRO 54 2HD PRO 54 69.451 16.242 3.915 418 H GLU 55 H GLU 55 70.537 13.979 6.736 419 HA GLU 55 HA GLU 55 71.910 11.599 7.666 420 1HB GLU 55 1HB GLU 55 71.874 12.845 9.805 421 2HB GLU 55 2HB GLU 55 72.323 13.906 8.469 422 1HG GLU 55 1HG GLU 55 70.140 14.877 8.380 423 2HG GLU 55 2HG GLU 55 69.472 13.638 9.444 424 H GLU 56 H GLU 56 68.578 12.694 7.674 425 HA GLU 56 HA GLU 56 67.748 10.659 9.658 426 1HB GLU 56 1HB GLU 56 66.888 13.076 9.384 427 2HB GLU 56 2HB GLU 56 66.014 12.475 7.975 428 1HG GLU 56 1HG GLU 56 64.648 11.073 9.254 429 2HG GLU 56 2HG GLU 56 65.788 11.027 10.600 430 H LEU 57 H LEU 57 67.465 11.306 6.172 431 HA LEU 57 HA LEU 57 65.613 9.484 5.270 432 1HB LEU 57 1HB LEU 57 67.824 10.904 4.274 433 2HB LEU 57 2HB LEU 57 68.093 9.233 3.776 434 HG LEU 57 HG LEU 57 65.660 10.948 3.228 435 1HD1 LEU 57 1HD1 LEU 57 68.054 10.305 1.787 436 2HD1 LEU 57 2HD1 LEU 57 66.688 9.555 0.962 437 3HD1 LEU 57 3HD1 LEU 57 66.692 11.294 1.258 438 1HD2 LEU 57 1HD2 LEU 57 66.084 7.966 3.050 439 2HD2 LEU 57 2HD2 LEU 57 64.707 8.846 3.716 440 3HD2 LEU 57 3HD2 LEU 57 64.951 8.781 1.971 441 H GLN 58 H GLN 58 68.914 8.702 6.375 442 HA GLN 58 HA GLN 58 68.986 5.954 5.695 443 1HB GLN 58 1HB GLN 58 70.458 7.856 7.197 444 2HB GLN 58 2HB GLN 58 70.189 6.480 8.268 445 1HG GLN 58 1HG GLN 58 71.262 6.255 5.442 446 2HG GLN 58 2HG GLN 58 72.271 6.261 6.888 447 1HE2 GLN 58 2HE2 GLN 58 72.733 3.974 5.776 448 2HE2 GLN 58 1HE2 GLN 58 71.773 2.693 6.342 449 H GLU 59 H GLU 59 67.375 7.611 8.370 450 HA GLU 59 HA GLU 59 66.836 5.579 10.185 451 1HB GLU 59 1HB GLU 59 64.911 7.640 9.054 452 2HB GLU 59 2HB GLU 59 64.756 6.844 10.621 453 1HG GLU 59 1HG GLU 59 67.399 8.009 10.296 454 2HG GLU 59 2HG GLU 59 66.138 9.225 10.094 455 H MET 60 H MET 60 65.508 5.985 6.943 456 HA MET 60 HA MET 60 63.417 3.979 7.223 457 1HB MET 60 1HB MET 60 64.806 5.263 4.848 458 2HB MET 60 2HB MET 60 63.352 4.271 4.732 459 1HG MET 60 1HG MET 60 62.195 5.851 6.277 460 2HG MET 60 2HG MET 60 63.634 6.869 6.270 461 1HE MET 60 1HE MET 60 60.475 6.086 5.136 462 2HE MET 60 2HE MET 60 60.488 7.848 5.123 463 3HE MET 60 3HE MET 60 60.154 6.964 3.635 464 H ILE 61 H ILE 61 66.808 3.978 6.269 465 HA ILE 61 HA ILE 61 66.678 1.173 5.325 466 HB ILE 61 HB ILE 61 68.836 3.295 5.541 467 1HG1 ILE 61 1HG1 ILE 61 68.671 2.854 2.954 468 2HG1 ILE 61 2HG1 ILE 61 67.089 2.188 3.358 469 1HG2 ILE 61 1HG2 ILE 61 69.444 0.691 5.708 470 2HG2 ILE 61 2HG2 ILE 61 69.242 0.795 3.960 471 3HG2 ILE 61 3HG2 ILE 61 70.428 1.816 4.773 472 1HD1 ILE 61 1HD1 ILE 61 67.740 4.805 4.595 473 2HD1 ILE 61 2HD1 ILE 61 67.498 4.817 2.847 474 3HD1 ILE 61 3HD1 ILE 61 66.219 4.229 3.909 475 H ASP 62 H ASP 62 67.996 3.082 8.017 476 HA ASP 62 HA ASP 62 69.342 0.814 9.265 477 1HB ASP 62 1HB ASP 62 69.507 3.529 9.391 478 2HB ASP 62 2HB ASP 62 68.569 3.202 10.848 479 H GLU 63 H GLU 63 66.101 1.616 8.950 480 HA GLU 63 HA GLU 63 65.215 0.851 11.643 481 1HB GLU 63 1HB GLU 63 64.180 2.063 9.232 482 2HB GLU 63 2HB GLU 63 63.103 0.767 9.755 483 1HG GLU 63 1HG GLU 63 63.067 1.742 12.039 484 2HG GLU 63 2HG GLU 63 64.090 3.063 11.475 485 H VAL 64 H VAL 64 65.721 -0.697 8.532 486 HA VAL 64 HA VAL 64 64.810 -3.289 9.738 487 HB VAL 64 HB VAL 64 64.180 -3.780 7.264 488 1HG1 VAL 64 1HG1 VAL 64 62.752 -1.898 9.132 489 2HG1 VAL 64 2HG1 VAL 64 62.032 -2.339 7.583 490 3HG1 VAL 64 3HG1 VAL 64 62.391 -3.588 8.775 491 1HG2 VAL 64 1HG2 VAL 64 65.414 -1.712 6.450 492 2HG2 VAL 64 2HG2 VAL 64 63.756 -1.864 5.867 493 3HG2 VAL 64 3HG2 VAL 64 64.129 -0.750 7.182 494 H ASP 65 H ASP 65 67.537 -2.061 9.512 495 HA ASP 65 HA ASP 65 68.854 -3.774 7.467 496 1HB ASP 65 1HB ASP 65 69.228 -1.198 8.401 497 2HB ASP 65 2HB ASP 65 70.488 -2.096 9.249 498 H GLU 66 H GLU 66 69.283 -5.838 8.179 499 HA GLU 66 HA GLU 66 70.145 -6.192 11.031 500 1HB GLU 66 1HB GLU 66 68.935 -8.180 9.081 501 2HB GLU 66 2HB GLU 66 69.207 -8.436 10.805 502 1HG GLU 66 1HG GLU 66 67.380 -7.216 11.407 503 2HG GLU 66 2HG GLU 66 67.635 -6.022 10.134 504 H ASP 67 H ASP 67 71.737 -5.571 8.444 505 HA ASP 67 HA ASP 67 73.753 -7.745 8.836 506 1HB ASP 67 1HB ASP 67 74.034 -7.682 6.315 507 2HB ASP 67 2HB ASP 67 72.487 -8.330 6.860 508 H GLY 68 H GLY 68 73.182 -4.578 9.174 509 1HA GLY 68 1HA GLY 68 74.494 -2.629 9.103 510 2HA GLY 68 2HA GLY 68 75.840 -3.730 9.397 511 H SER 69 H SER 69 73.728 -3.596 6.539 512 HA SER 69 HA SER 69 76.147 -3.397 4.831 513 1HB SER 69 1HB SER 69 74.588 -4.076 3.083 514 2HB SER 69 2HB SER 69 74.322 -5.091 4.497 515 HG SER 69 HG SER 69 72.751 -3.202 4.983 516 H GLY 70 H GLY 70 73.371 -1.498 5.841 517 1HA GLY 70 1HA GLY 70 73.114 0.853 5.631 518 2HA GLY 70 2HA GLY 70 74.540 0.888 4.594 519 H THR 71 H THR 71 72.171 -1.469 3.783 520 HA THR 71 HA THR 71 70.824 0.325 1.831 521 HB THR 71 HB THR 71 71.453 -1.656 0.155 522 HG1 THR 71 HG1 THR 71 72.615 -2.939 1.463 523 1HG2 THR 71 1HG2 THR 71 73.169 0.674 1.020 524 2HG2 THR 71 2HG2 THR 71 73.587 -0.329 -0.369 525 3HG2 THR 71 3HG2 THR 71 72.075 0.578 -0.360 526 H VAL 72 H VAL 72 68.844 -0.613 1.015 527 HA VAL 72 HA VAL 72 67.888 -2.965 2.609 528 HB VAL 72 HB VAL 72 66.610 -0.463 1.505 529 1HG1 VAL 72 1HG1 VAL 72 65.162 -2.370 0.878 530 2HG1 VAL 72 2HG1 VAL 72 65.171 -2.920 2.554 531 3HG1 VAL 72 3HG1 VAL 72 64.415 -1.383 2.133 532 1HG2 VAL 72 1HG2 VAL 72 67.700 -0.734 3.854 533 2HG2 VAL 72 2HG2 VAL 72 66.094 -0.012 3.760 534 3HG2 VAL 72 3HG2 VAL 72 66.276 -1.701 4.233 535 H ASP 73 H ASP 73 66.616 -4.556 1.487 536 HA ASP 73 HA ASP 73 66.688 -4.400 -1.506 537 1HB ASP 73 1HB ASP 73 67.937 -6.277 0.395 538 2HB ASP 73 2HB ASP 73 67.052 -7.063 -0.914 539 H PHE 74 H PHE 74 65.224 -6.277 -2.396 540 HA PHE 74 HA PHE 74 62.546 -5.902 -1.683 541 1HB PHE 74 1HB PHE 74 63.680 -7.129 -3.662 542 2HB PHE 74 2HB PHE 74 63.672 -8.548 -2.614 543 HD1 PHE 74 HD1 PHE 74 61.326 -5.798 -3.653 544 HD2 PHE 74 HD2 PHE 74 61.843 -9.971 -2.775 545 HE1 PHE 74 HE1 PHE 74 58.949 -6.212 -4.224 546 HE2 PHE 74 HE2 PHE 74 59.466 -10.385 -3.345 547 HZ PHE 74 HZ PHE 74 58.018 -8.507 -4.070 548 H ASP 75 H ASP 75 64.976 -7.799 -0.059 549 HA ASP 75 HA ASP 75 63.102 -9.463 1.453 550 1HB ASP 75 1HB ASP 75 65.416 -10.123 0.824 551 2HB ASP 75 2HB ASP 75 66.045 -8.822 1.836 552 H GLU 76 H GLU 76 65.323 -6.781 2.327 553 HA GLU 76 HA GLU 76 64.135 -6.478 4.976 554 1HB GLU 76 1HB GLU 76 66.130 -4.964 3.279 555 2HB GLU 76 2HB GLU 76 65.662 -4.408 4.887 556 1HG GLU 76 1HG GLU 76 66.309 -6.672 5.779 557 2HG GLU 76 2HG GLU 76 66.944 -7.062 4.180 558 H PHE 77 H PHE 77 63.602 -5.104 1.799 559 HA PHE 77 HA PHE 77 62.245 -2.694 2.634 560 1HB PHE 77 1HB PHE 77 63.207 -2.975 0.417 561 2HB PHE 77 2HB PHE 77 62.180 -4.375 0.110 562 HD1 PHE 77 HD1 PHE 77 61.542 -0.965 1.544 563 HD2 PHE 77 HD2 PHE 77 60.535 -3.867 -1.457 564 HE1 PHE 77 HE1 PHE 77 59.753 0.530 0.700 565 HE2 PHE 77 HE2 PHE 77 58.745 -2.371 -2.302 566 HZ PHE 77 HZ PHE 77 58.355 -0.173 -1.223 567 H LEU 78 H LEU 78 60.928 -5.751 1.281 568 HA LEU 78 HA LEU 78 58.211 -5.338 1.528 569 1HB LEU 78 1HB LEU 78 59.979 -7.719 2.092 570 2HB LEU 78 2HB LEU 78 58.222 -7.854 2.172 571 HG LEU 78 HG LEU 78 59.803 -6.883 -0.227 572 1HD1 LEU 78 1HD1 LEU 78 59.407 -9.486 0.659 573 2HD1 LEU 78 2HD1 LEU 78 58.113 -9.253 -0.517 574 3HD1 LEU 78 3HD1 LEU 78 59.793 -9.010 -0.994 575 1HD2 LEU 78 1HD2 LEU 78 56.944 -6.824 0.521 576 2HD2 LEU 78 2HD2 LEU 78 57.815 -5.852 -0.664 577 3HD2 LEU 78 3HD2 LEU 78 57.270 -7.475 -1.085 578 H VAL 79 H VAL 79 60.473 -6.099 4.165 579 HA VAL 79 HA VAL 79 58.457 -6.379 6.221 580 HB VAL 79 HB VAL 79 61.433 -5.838 6.139 581 1HG1 VAL 79 1HG1 VAL 79 59.676 -6.272 8.574 582 2HG1 VAL 79 2HG1 VAL 79 61.438 -6.233 8.584 583 3HG1 VAL 79 3HG1 VAL 79 60.527 -4.782 8.169 584 1HG2 VAL 79 1HG2 VAL 79 59.811 -8.149 5.912 585 2HG2 VAL 79 2HG2 VAL 79 61.567 -8.087 6.070 586 3HG2 VAL 79 3HG2 VAL 79 60.556 -8.225 7.509 587 H MET 80 H MET 80 60.239 -3.652 4.864 588 HA MET 80 HA MET 80 59.650 -1.739 6.937 589 1HB MET 80 1HB MET 80 61.158 -1.894 4.625 590 2HB MET 80 2HB MET 80 59.890 -0.752 4.175 591 1HG MET 80 1HG MET 80 60.918 -0.246 6.859 592 2HG MET 80 2HG MET 80 62.184 -0.149 5.635 593 1HE MET 80 1HE MET 80 61.880 0.697 3.514 594 2HE MET 80 2HE MET 80 60.324 1.283 2.911 595 3HE MET 80 3HE MET 80 61.586 2.427 3.361 596 H MET 81 H MET 81 57.644 -3.260 4.643 597 HA MET 81 HA MET 81 55.732 -0.987 4.485 598 1HB MET 81 1HB MET 81 56.371 -3.467 3.011 599 2HB MET 81 2HB MET 81 54.646 -3.111 3.123 600 1HG MET 81 1HG MET 81 56.563 -0.923 2.372 601 2HG MET 81 2HG MET 81 56.051 -2.089 1.151 602 1HE MET 81 1HE MET 81 55.959 0.623 0.946 603 2HE MET 81 2HE MET 81 54.406 0.894 0.141 604 3HE MET 81 3HE MET 81 54.721 1.609 1.721 605 H VAL 82 H VAL 82 55.837 -4.401 5.564 606 HA VAL 82 HA VAL 82 53.207 -4.687 6.514 607 HB VAL 82 HB VAL 82 55.719 -5.680 7.892 608 1HG1 VAL 82 1HG1 VAL 82 53.091 -6.072 8.531 609 2HG1 VAL 82 2HG1 VAL 82 53.378 -7.428 7.441 610 3HG1 VAL 82 3HG1 VAL 82 54.374 -7.230 8.883 611 1HG2 VAL 82 1HG2 VAL 82 54.592 -6.263 5.201 612 2HG2 VAL 82 2HG2 VAL 82 56.254 -6.398 5.778 613 3HG2 VAL 82 3HG2 VAL 82 55.082 -7.661 6.158 614 H ARG 83 H ARG 83 55.987 -3.109 8.058 615 HA ARG 83 HA ARG 83 55.018 -2.705 10.661 616 1HB ARG 83 1HB ARG 83 56.673 -1.025 8.763 617 2HB ARG 83 2HB ARG 83 56.434 -0.568 10.450 618 1HG ARG 83 1HG ARG 83 57.140 -3.163 10.772 619 2HG ARG 83 2HG ARG 83 58.041 -2.783 9.303 620 1HD ARG 83 1HD ARG 83 59.532 -2.195 11.064 621 2HD ARG 83 2HD ARG 83 58.803 -0.645 10.593 622 HE ARG 83 HE ARG 83 57.119 -1.086 12.464 623 1HH1 ARG 83 1HH1 ARG 83 58.546 -3.840 12.904 624 2HH1 ARG 83 2HH1 ARG 83 59.372 -3.504 14.388 625 1HH2 ARG 83 1HH2 ARG 83 58.915 -0.073 14.175 626 2HH2 ARG 83 2HH2 ARG 83 59.578 -1.372 15.110 627 H CYS 84 H CYS 84 54.186 -0.971 7.677 628 HA CYS 84 HA CYS 84 52.697 1.157 8.942 629 1HB CYS 84 1HB CYS 84 53.668 0.596 6.462 630 2HB CYS 84 2HB CYS 84 51.962 0.220 6.224 631 HG CYS 84 HG CYS 84 51.682 2.759 7.428 632 H MET 85 H MET 85 52.069 -2.150 8.709 633 HA MET 85 HA MET 85 49.271 -1.759 9.564 634 1HB MET 85 1HB MET 85 48.514 -3.319 7.697 635 2HB MET 85 2HB MET 85 49.028 -1.716 7.167 636 1HG MET 85 1HG MET 85 51.327 -2.691 6.755 637 2HG MET 85 2HG MET 85 50.630 -4.283 7.054 638 1HE MET 85 1HE MET 85 49.435 -5.599 5.702 639 2HE MET 85 2HE MET 85 49.267 -5.419 3.950 640 3HE MET 85 3HE MET 85 50.868 -5.472 4.686 641 H LYS 86 H LYS 86 50.009 -2.834 11.500 642 HA LYS 86 HA LYS 86 51.513 -5.147 11.802 643 1HB LYS 86 1HB LYS 86 49.241 -3.830 13.191 644 2HB LYS 86 2HB LYS 86 49.566 -5.499 13.664 645 1HG LYS 86 1HG LYS 86 52.061 -4.094 13.441 646 2HG LYS 86 2HG LYS 86 50.970 -3.165 14.470 647 1HD LYS 86 1HD LYS 86 51.383 -6.139 14.823 648 2HD LYS 86 2HD LYS 86 52.378 -4.941 15.653 649 1HE LYS 86 1HE LYS 86 49.484 -4.406 15.851 650 2HE LYS 86 2HE LYS 86 49.999 -5.911 16.638 651 1HZ LYS 86 1HZ LYS 86 51.807 -4.678 17.697 652 2HZ LYS 86 2HZ LYS 86 51.253 -3.238 16.992 653 3HZ LYS 86 3HZ LYS 86 50.292 -4.046 18.137 654 H ASP 87 H ASP 87 47.971 -5.442 12.034 655 HA ASP 87 HA ASP 87 47.818 -7.453 9.909 656 1HB ASP 87 1HB ASP 87 48.159 -8.118 12.799 657 2HB ASP 87 2HB ASP 87 47.023 -9.103 11.876 658 H ASP 88 H ASP 88 45.809 -7.055 9.078 659 HA ASP 88 HA ASP 88 43.399 -7.198 10.645 660 1HB ASP 88 1HB ASP 88 42.821 -4.810 10.632 661 2HB ASP 88 2HB ASP 88 44.365 -5.044 11.454 662 H SER 89 H SER 89 42.282 -8.245 9.023 663 HA SER 89 HA SER 89 41.289 -8.633 6.913 664 1HB SER 89 1HB SER 89 41.496 -5.721 6.320 665 2HB SER 89 2HB SER 89 40.088 -6.779 6.260 666 HG SER 89 HG SER 89 40.068 -5.256 8.017 667 1H ARG 1 1H ARG 1 57.110 9.194 6.240 668 2H ARG 1 2H ARG 1 57.517 8.822 7.847 669 3H ARG 1 3H ARG 1 58.462 8.224 6.568 670 HA ARG 1 HA ARG 1 57.164 6.392 7.204 671 1HB ARG 1 1HB ARG 1 55.759 7.745 8.700 672 2HB ARG 1 2HB ARG 1 54.935 8.451 7.309 673 1HG ARG 1 1HG ARG 1 53.453 6.758 7.480 674 2HG ARG 1 2HG ARG 1 54.734 5.703 6.881 675 1HD ARG 1 1HD ARG 1 55.105 4.781 8.943 676 2HD ARG 1 2HD ARG 1 54.867 6.328 9.781 677 HE ARG 1 HE ARG 1 52.785 4.375 9.225 678 1HH1 ARG 1 1HH2 ARG 1 53.012 6.498 11.463 679 2HH1 ARG 1 2HH2 ARG 1 51.647 7.494 11.086 680 1HH2 ARG 1 1HH1 ARG 1 51.236 6.188 7.902 681 2HH2 ARG 1 2HH1 ARG 1 50.641 7.318 9.073 682 H ILE 2 H ILE 2 56.967 5.151 5.386 683 HA ILE 2 HA ILE 2 56.028 6.401 2.861 684 HB ILE 2 HB ILE 2 57.288 3.725 3.549 685 1HG1 ILE 2 1HG1 ILE 2 58.442 6.208 2.236 686 2HG1 ILE 2 2HG1 ILE 2 58.736 5.720 3.905 687 1HG2 ILE 2 1HG2 ILE 2 55.782 4.084 1.385 688 2HG2 ILE 2 2HG2 ILE 2 57.236 4.883 0.789 689 3HG2 ILE 2 3HG2 ILE 2 57.302 3.194 1.293 690 1HD1 ILE 2 1HD1 ILE 2 59.236 3.474 2.192 691 2HD1 ILE 2 2HD1 ILE 2 60.125 4.866 1.574 692 3HD1 ILE 2 3HD1 ILE 2 60.370 4.329 3.236 693 H SER 3 H SER 3 53.763 6.377 4.050 694 HA SER 3 HA SER 3 52.351 3.928 4.470 695 1HB SER 3 1HB SER 3 50.733 6.148 3.483 696 2HB SER 3 2HB SER 3 50.760 5.416 5.084 697 HG SER 3 HG SER 3 52.515 6.704 5.605 698 H ALA 4 H ALA 4 50.034 4.456 2.758 699 HA ALA 4 HA ALA 4 51.150 3.677 0.082 700 1HB ALA 4 1HB ALA 4 50.210 1.836 1.589 701 2HB ALA 4 2HB ALA 4 48.634 2.599 1.380 702 3HB ALA 4 3HB ALA 4 49.490 1.946 -0.017 703 H ASP 5 H ASP 5 48.683 5.404 1.899 704 HA ASP 5 HA ASP 5 46.844 6.011 -0.179 705 1HB ASP 5 1HB ASP 5 47.363 6.681 2.520 706 2HB ASP 5 2HB ASP 5 47.249 8.212 1.653 707 H ALA 6 H ALA 6 49.680 7.908 0.941 708 HA ALA 6 HA ALA 6 49.414 9.808 -1.279 709 1HB ALA 6 1HB ALA 6 50.465 9.824 1.259 710 2HB ALA 6 2HB ALA 6 51.922 9.670 0.277 711 3HB ALA 6 3HB ALA 6 50.831 11.033 0.028 712 H MET 7 H MET 7 51.578 7.117 -0.407 713 HA MET 7 HA MET 7 53.540 7.358 -2.403 714 1HB MET 7 1HB MET 7 53.551 5.760 -0.533 715 2HB MET 7 2HB MET 7 52.200 4.888 -1.257 716 1HG MET 7 1HG MET 7 53.596 3.725 -2.583 717 2HG MET 7 2HG MET 7 54.308 5.214 -3.202 718 1HE MET 7 1HE MET 7 55.933 3.306 -3.484 719 2HE MET 7 2HE MET 7 57.364 3.215 -2.460 720 3HE MET 7 3HE MET 7 55.997 2.129 -2.174 721 H MET 8 H MET 8 50.402 5.628 -2.636 722 HA MET 8 HA MET 8 50.772 4.815 -5.376 723 1HB MET 8 1HB MET 8 48.553 5.001 -3.378 724 2HB MET 8 2HB MET 8 48.131 4.708 -5.066 725 1HG MET 8 1HG MET 8 48.462 2.590 -3.797 726 2HG MET 8 2HG MET 8 49.604 2.757 -5.132 727 1HE MET 8 1HE MET 8 51.616 3.140 -5.212 728 2HE MET 8 2HE MET 8 52.505 4.151 -4.075 729 3HE MET 8 3HE MET 8 52.739 2.398 -4.076 730 H GLN 9 H GLN 9 49.934 7.864 -3.974 731 HA GLN 9 HA GLN 9 48.458 8.838 -6.329 732 1HB GLN 9 1HB GLN 9 48.620 9.452 -3.629 733 2HB GLN 9 2HB GLN 9 49.483 10.788 -4.392 734 1HG GLN 9 1HG GLN 9 46.653 9.868 -4.945 735 2HG GLN 9 2HG GLN 9 47.171 11.430 -4.309 736 1HE2 GLN 9 2HE2 GLN 9 46.957 9.470 -7.251 737 2HE2 GLN 9 1HE2 GLN 9 47.332 10.727 -8.328 738 H ALA 10 H ALA 10 51.534 9.771 -4.721 739 HA ALA 10 HA ALA 10 52.398 11.254 -7.114 740 1HB ALA 10 1HB ALA 10 53.097 10.951 -4.279 741 2HB ALA 10 2HB ALA 10 54.511 11.092 -5.324 742 3HB ALA 10 3HB ALA 10 53.278 12.354 -5.331 743 H LEU 11 H LEU 11 53.657 8.473 -5.234 744 HA LEU 11 HA LEU 11 55.683 7.779 -7.171 745 1HB LEU 11 1HB LEU 11 54.582 6.868 -4.626 746 2HB LEU 11 2HB LEU 11 55.039 5.518 -5.655 747 HG LEU 11 HG LEU 11 56.832 7.858 -4.942 748 1HD1 LEU 11 1HD1 LEU 11 56.142 5.481 -3.510 749 2HD1 LEU 11 2HD1 LEU 11 57.808 5.319 -4.065 750 3HD1 LEU 11 3HD1 LEU 11 57.338 6.703 -3.079 751 1HD2 LEU 11 1HD2 LEU 11 57.105 6.595 -7.208 752 2HD2 LEU 11 2HD2 LEU 11 58.528 6.802 -6.190 753 3HD2 LEU 11 3HD2 LEU 11 57.677 5.258 -6.212 754 H LEU 12 H LEU 12 55.393 6.706 -9.081 755 HA LEU 12 HA LEU 12 54.192 5.675 -10.856 756 1HB LEU 12 1HB LEU 12 53.385 3.716 -8.715 757 2HB LEU 12 2HB LEU 12 53.939 3.390 -10.353 758 HG LEU 12 HG LEU 12 55.813 2.807 -9.093 759 1HD1 LEU 12 1HD1 LEU 12 55.991 5.156 -10.595 760 2HD1 LEU 12 2HD1 LEU 12 56.827 5.537 -9.090 761 3HD1 LEU 12 3HD1 LEU 12 57.338 4.155 -10.057 762 1HD2 LEU 12 1HD2 LEU 12 54.584 4.068 -7.044 763 2HD2 LEU 12 2HD2 LEU 12 56.265 3.540 -6.973 764 3HD2 LEU 12 3HD2 LEU 12 55.882 5.214 -7.361 765 H GLY 13 H GLY 13 52.564 7.659 -10.345 766 1HA GLY 13 1HA GLY 13 49.923 6.549 -9.518 767 2HA GLY 13 2HA GLY 13 50.320 8.266 -9.590 768 H ALA 14 H ALA 14 50.727 9.164 -11.804 769 HA ALA 14 HA ALA 14 49.977 9.527 -14.015 770 1HB ALA 14 1HB ALA 14 50.289 6.528 -13.785 771 2HB ALA 14 2HB ALA 14 49.847 7.297 -15.309 772 3HB ALA 14 3HB ALA 14 51.388 7.681 -14.541 773 H ARG 15 H ARG 15 48.001 8.896 -11.700 774 HA ARG 15 HA ARG 15 45.654 8.722 -11.483 775 1HB ARG 15 1HB ARG 15 46.343 10.160 -13.822 776 2HB ARG 15 2HB ARG 15 45.013 9.095 -14.278 777 1HG ARG 15 1HG ARG 15 43.745 9.902 -12.275 778 2HG ARG 15 2HG ARG 15 45.042 11.058 -11.969 779 1HD ARG 15 1HD ARG 15 43.705 10.961 -14.674 780 2HD ARG 15 2HD ARG 15 42.989 11.889 -13.341 781 HE ARG 15 HE ARG 15 45.773 12.331 -14.358 782 1HH1 ARG 15 1HH1 ARG 15 44.731 13.257 -11.565 783 2HH1 ARG 15 2HH1 ARG 15 44.415 14.926 -11.907 784 1HH2 ARG 15 1HH2 ARG 15 44.568 14.526 -15.347 785 2HH2 ARG 15 2HH2 ARG 15 44.321 15.644 -14.048 786 H ALA 16 H ALA 16 47.090 6.263 -11.930 787 HA ALA 16 HA ALA 16 45.988 4.626 -13.996 788 1HB ALA 16 1HB ALA 16 47.632 4.420 -11.618 789 2HB ALA 16 2HB ALA 16 46.542 3.038 -11.728 790 3HB ALA 16 3HB ALA 16 47.642 3.402 -13.058 791 H LYS 17 H LYS 17 44.635 5.784 -11.013 792 HA LYS 17 HA LYS 17 42.699 3.719 -10.528 793 1HB LYS 17 1HB LYS 17 41.654 5.494 -9.148 794 2HB LYS 17 2HB LYS 17 43.402 5.458 -8.917 795 1HG LYS 17 1HG LYS 17 43.597 7.573 -9.659 796 2HG LYS 17 2HG LYS 17 42.737 7.172 -11.145 797 1HD LYS 17 1HD LYS 17 40.638 7.703 -10.223 798 2HD LYS 17 2HD LYS 17 41.232 7.570 -8.567 799 1HE LYS 17 1HE LYS 17 42.146 9.692 -8.579 800 2HE LYS 17 2HE LYS 17 42.504 9.637 -10.317 801 1HZ LYS 17 1HZ LYS 17 39.701 9.398 -9.667 802 2HZ LYS 17 2HZ LYS 17 40.373 10.895 -9.242 803 3HZ LYS 17 3HZ LYS 17 40.462 10.352 -10.849 Start of MODEL 17 1 1H MET 1 1H MET 1 62.719 -12.312 18.248 2 2H MET 1 2H MET 1 63.936 -12.891 19.282 3 3H MET 1 3H MET 1 63.083 -13.969 18.283 4 HA MET 1 HA MET 1 62.227 -14.189 20.504 5 1HB MET 1 1HB MET 1 61.984 -11.176 20.224 6 2HB MET 1 2HB MET 1 61.368 -12.099 21.595 7 1HG MET 1 1HG MET 1 63.880 -13.043 21.569 8 2HG MET 1 2HG MET 1 64.183 -11.461 20.849 9 1HE MET 1 1HE MET 1 63.002 -9.332 21.746 10 2HE MET 1 2HE MET 1 61.488 -10.042 22.324 11 3HE MET 1 3HE MET 1 62.480 -9.073 23.409 12 H ASP 2 H ASP 2 60.805 -11.670 18.372 13 HA ASP 2 HA ASP 2 58.418 -13.445 18.032 14 1HB ASP 2 1HB ASP 2 58.412 -10.457 18.575 15 2HB ASP 2 2HB ASP 2 56.993 -11.494 18.421 16 H ASP 3 H ASP 3 58.521 -13.890 15.850 17 HA ASP 3 HA ASP 3 59.362 -11.736 13.967 18 1HB ASP 3 1HB ASP 3 59.783 -14.523 14.229 19 2HB ASP 3 2HB ASP 3 58.786 -14.313 12.788 20 H ILE 4 H ILE 4 57.312 -10.538 14.084 21 HA ILE 4 HA ILE 4 54.843 -11.922 13.232 22 HB ILE 4 HB ILE 4 55.506 -9.033 13.893 23 1HG1 ILE 4 1HG1 ILE 4 53.784 -10.382 15.766 24 2HG1 ILE 4 2HG1 ILE 4 55.248 -11.338 15.534 25 1HG2 ILE 4 1HG2 ILE 4 53.233 -10.145 12.615 26 2HG2 ILE 4 2HG2 ILE 4 52.750 -9.788 14.273 27 3HG2 ILE 4 3HG2 ILE 4 53.411 -8.511 13.254 28 1HD1 ILE 4 1HD1 ILE 4 56.455 -9.007 15.761 29 2HD1 ILE 4 2HD1 ILE 4 54.962 -8.537 16.575 30 3HD1 ILE 4 3HD1 ILE 4 55.932 -9.867 17.208 31 H TYR 5 H TYR 5 56.684 -9.062 12.073 32 HA TYR 5 HA TYR 5 55.389 -8.692 9.611 33 1HB TYR 5 1HB TYR 5 58.349 -8.430 10.227 34 2HB TYR 5 2HB TYR 5 57.460 -7.549 8.985 35 HD1 TYR 5 HD1 TYR 5 55.197 -6.392 9.971 36 HD2 TYR 5 HD2 TYR 5 58.762 -7.276 12.201 37 HE1 TYR 5 HE1 TYR 5 54.585 -4.660 11.637 38 HE2 TYR 5 HE2 TYR 5 58.149 -5.546 13.866 39 HH TYR 5 HH TYR 5 55.976 -3.178 13.341 40 H LYS 6 H LYS 6 58.539 -10.380 9.938 41 HA LYS 6 HA LYS 6 58.740 -11.528 7.423 42 1HB LYS 6 1HB LYS 6 59.458 -12.426 10.206 43 2HB LYS 6 2HB LYS 6 59.822 -13.467 8.828 44 1HG LYS 6 1HG LYS 6 60.806 -11.214 7.821 45 2HG LYS 6 2HG LYS 6 60.946 -10.782 9.525 46 1HD LYS 6 1HD LYS 6 62.287 -12.748 9.978 47 2HD LYS 6 2HD LYS 6 62.027 -13.354 8.343 48 1HE LYS 6 1HE LYS 6 63.135 -11.202 7.506 49 2HE LYS 6 2HE LYS 6 63.641 -10.933 9.186 50 1HZ LYS 6 1HZ LYS 6 64.430 -13.329 9.112 51 2HZ LYS 6 2HZ LYS 6 64.283 -13.227 7.426 52 3HZ LYS 6 3HZ LYS 6 65.358 -12.199 8.248 53 H ALA 7 H ALA 7 56.671 -12.580 10.099 54 HA ALA 7 HA ALA 7 55.848 -15.081 8.883 55 1HB ALA 7 1HB ALA 7 55.474 -13.562 11.290 56 2HB ALA 7 2HB ALA 7 53.889 -14.039 10.680 57 3HB ALA 7 3HB ALA 7 55.112 -15.266 11.010 58 H ALA 8 H ALA 8 54.624 -11.754 8.826 59 HA ALA 8 HA ALA 8 52.127 -12.405 7.484 60 1HB ALA 8 1HB ALA 8 53.258 -10.264 8.827 61 2HB ALA 8 2HB ALA 8 53.239 -9.704 7.155 62 3HB ALA 8 3HB ALA 8 51.739 -10.208 7.933 63 H VAL 9 H VAL 9 55.297 -11.149 6.426 64 HA VAL 9 HA VAL 9 54.759 -10.656 3.709 65 HB VAL 9 HB VAL 9 57.245 -11.957 4.862 66 1HG1 VAL 9 1HG1 VAL 9 56.988 -11.565 2.343 67 2HG1 VAL 9 2HG1 VAL 9 57.007 -9.841 2.714 68 3HG1 VAL 9 3HG1 VAL 9 58.406 -10.843 3.102 69 1HG2 VAL 9 1HG2 VAL 9 55.976 -9.365 5.419 70 2HG2 VAL 9 2HG2 VAL 9 57.253 -10.203 6.301 71 3HG2 VAL 9 3HG2 VAL 9 57.652 -9.222 4.890 72 H GLU 10 H GLU 10 55.772 -13.731 5.232 73 HA GLU 10 HA GLU 10 55.863 -15.336 2.898 74 1HB GLU 10 1HB GLU 10 55.320 -15.780 5.827 75 2HB GLU 10 2HB GLU 10 55.238 -17.137 4.701 76 1HG GLU 10 1HG GLU 10 57.523 -16.763 3.988 77 2HG GLU 10 2HG GLU 10 57.620 -15.278 4.933 78 H GLN 11 H GLN 11 53.156 -13.890 4.462 79 HA GLN 11 HA GLN 11 51.259 -15.784 3.130 80 1HB GLN 11 1HB GLN 11 51.325 -14.136 5.588 81 2HB GLN 11 2HB GLN 11 49.774 -14.148 4.747 82 1HG GLN 11 1HG GLN 11 49.615 -16.009 6.178 83 2HG GLN 11 2HG GLN 11 50.104 -16.726 4.641 84 1HE2 GLN 11 2HE2 GLN 11 50.790 -16.910 7.867 85 2HE2 GLN 11 1HE2 GLN 11 52.425 -17.363 7.794 86 H LEU 12 H LEU 12 52.833 -13.140 2.220 87 HA LEU 12 HA LEU 12 50.766 -11.249 1.508 88 1HB LEU 12 1HB LEU 12 53.640 -11.785 0.937 89 2HB LEU 12 2HB LEU 12 52.787 -10.758 -0.217 90 HG LEU 12 HG LEU 12 52.732 -10.299 2.776 91 1HD1 LEU 12 1HD1 LEU 12 54.979 -10.050 1.266 92 2HD1 LEU 12 2HD1 LEU 12 54.246 -8.468 1.002 93 3HD1 LEU 12 3HD1 LEU 12 54.613 -9.008 2.640 94 1HD2 LEU 12 1HD2 LEU 12 51.721 -8.861 0.334 95 2HD2 LEU 12 2HD2 LEU 12 50.893 -9.177 1.859 96 3HD2 LEU 12 3HD2 LEU 12 52.145 -7.938 1.775 97 H THR 13 H THR 13 49.471 -11.201 -0.322 98 HA THR 13 HA THR 13 49.322 -13.589 -2.002 99 HB THR 13 HB THR 13 47.358 -12.491 -2.865 100 HG1 THR 13 HG1 THR 13 47.108 -10.350 -2.810 101 1HG2 THR 13 1HG2 THR 13 47.555 -13.129 -0.317 102 2HG2 THR 13 2HG2 THR 13 47.443 -11.385 -0.080 103 3HG2 THR 13 3HG2 THR 13 46.142 -12.250 -0.899 104 H GLU 14 H GLU 14 50.031 -13.768 -4.142 105 HA GLU 14 HA GLU 14 52.223 -12.372 -5.131 106 1HB GLU 14 1HB GLU 14 51.688 -13.427 -7.211 107 2HB GLU 14 2HB GLU 14 51.032 -14.488 -5.963 108 1HG GLU 14 1HG GLU 14 48.805 -13.602 -6.288 109 2HG GLU 14 2HG GLU 14 49.410 -12.356 -7.380 110 H GLU 15 H GLU 15 48.812 -11.452 -5.337 111 HA GLU 15 HA GLU 15 49.119 -9.347 -7.279 112 1HB GLU 15 1HB GLU 15 47.132 -10.218 -5.211 113 2HB GLU 15 2HB GLU 15 46.931 -8.626 -5.944 114 1HG GLU 15 1HG GLU 15 46.851 -9.582 -8.163 115 2HG GLU 15 2HG GLU 15 47.275 -11.177 -7.541 116 H GLN 16 H GLN 16 48.644 -9.103 -3.726 117 HA GLN 16 HA GLN 16 49.115 -6.369 -3.395 118 1HB GLN 16 1HB GLN 16 48.404 -7.628 -1.534 119 2HB GLN 16 2HB GLN 16 49.669 -8.835 -1.753 120 1HG GLN 16 1HG GLN 16 50.209 -7.419 0.169 121 2HG GLN 16 2HG GLN 16 51.368 -7.127 -1.129 122 1HE2 GLN 16 2HE2 GLN 16 48.906 -5.649 0.842 123 2HE2 GLN 16 1HE2 GLN 16 48.968 -4.111 0.127 124 H LYS 17 H LYS 17 51.469 -8.942 -3.963 125 HA LYS 17 HA LYS 17 53.792 -7.279 -3.352 126 1HB LYS 17 1HB LYS 17 54.131 -9.566 -3.026 127 2HB LYS 17 2HB LYS 17 53.193 -10.009 -4.451 128 1HG LYS 17 1HG LYS 17 55.712 -8.445 -4.854 129 2HG LYS 17 2HG LYS 17 55.848 -10.161 -4.462 130 1HD LYS 17 1HD LYS 17 53.790 -9.641 -6.470 131 2HD LYS 17 2HD LYS 17 55.390 -9.110 -6.994 132 1HE LYS 17 1HE LYS 17 54.962 -11.843 -5.762 133 2HE LYS 17 2HE LYS 17 54.795 -11.562 -7.506 134 1HZ LYS 17 1HZ LYS 17 57.012 -10.352 -7.290 135 2HZ LYS 17 2HZ LYS 17 57.172 -11.145 -5.796 136 3HZ LYS 17 3HZ LYS 17 57.048 -12.046 -7.231 137 H ASN 18 H ASN 18 52.010 -8.237 -6.276 138 HA ASN 18 HA ASN 18 53.871 -7.251 -8.214 139 1HB ASN 18 1HB ASN 18 51.023 -8.043 -8.023 140 2HB ASN 18 2HB ASN 18 51.411 -6.967 -9.366 141 1HD2 ASN 18 2HD2 ASN 18 50.664 -9.511 -10.101 142 2HD2 ASN 18 1HD2 ASN 18 52.011 -10.419 -10.596 143 H GLU 19 H GLU 19 51.771 -5.613 -6.008 144 HA GLU 19 HA GLU 19 51.611 -3.123 -7.573 145 1HB GLU 19 1HB GLU 19 50.710 -4.162 -4.900 146 2HB GLU 19 2HB GLU 19 50.684 -2.424 -5.198 147 1HG GLU 19 1HG GLU 19 49.245 -2.717 -7.127 148 2HG GLU 19 2HG GLU 19 49.382 -4.471 -7.014 149 H PHE 20 H PHE 20 53.124 -4.117 -4.475 150 HA PHE 20 HA PHE 20 54.590 -1.693 -4.060 151 1HB PHE 20 1HB PHE 20 54.975 -4.570 -3.184 152 2HB PHE 20 2HB PHE 20 55.928 -3.234 -2.543 153 HD1 PHE 20 HD1 PHE 20 52.886 -1.768 -3.272 154 HD2 PHE 20 HD2 PHE 20 54.616 -4.549 -0.489 155 HE1 PHE 20 HE1 PHE 20 51.084 -1.263 -1.646 156 HE2 PHE 20 HE2 PHE 20 52.812 -4.041 1.135 157 HZ PHE 20 HZ PHE 20 51.047 -2.398 0.556 158 H LYS 21 H LYS 21 55.356 -4.666 -5.843 159 HA LYS 21 HA LYS 21 58.083 -4.504 -6.277 160 1HB LYS 21 1HB LYS 21 55.702 -5.441 -7.699 161 2HB LYS 21 2HB LYS 21 57.012 -5.017 -8.800 162 1HG LYS 21 1HG LYS 21 57.163 -6.941 -6.461 163 2HG LYS 21 2HG LYS 21 57.266 -7.349 -8.174 164 1HD LYS 21 1HD LYS 21 59.246 -5.533 -8.064 165 2HD LYS 21 2HD LYS 21 59.309 -6.108 -6.396 166 1HE LYS 21 1HE LYS 21 60.365 -7.993 -7.071 167 2HE LYS 21 2HE LYS 21 59.026 -8.368 -8.174 168 1HZ LYS 21 1HZ LYS 21 61.013 -6.271 -8.807 169 2HZ LYS 21 2HZ LYS 21 61.288 -7.896 -9.220 170 3HZ LYS 21 3HZ LYS 21 59.949 -7.069 -9.861 171 H ALA 22 H ALA 22 55.564 -2.501 -7.798 172 HA ALA 22 HA ALA 22 57.142 -1.119 -9.701 173 1HB ALA 22 1HB ALA 22 54.595 -1.131 -9.179 174 2HB ALA 22 2HB ALA 22 54.971 0.148 -8.025 175 3HB ALA 22 3HB ALA 22 55.306 0.383 -9.740 176 H ALA 23 H ALA 23 56.334 -0.071 -6.361 177 HA ALA 23 HA ALA 23 58.029 2.214 -6.310 178 1HB ALA 23 1HB ALA 23 56.195 1.541 -4.707 179 2HB ALA 23 2HB ALA 23 57.305 0.352 -4.026 180 3HB ALA 23 3HB ALA 23 57.676 2.073 -3.910 181 H PHE 24 H PHE 24 58.663 -1.159 -5.288 182 HA PHE 24 HA PHE 24 61.274 -0.870 -4.280 183 1HB PHE 24 1HB PHE 24 59.967 -2.929 -4.174 184 2HB PHE 24 2HB PHE 24 59.988 -3.070 -5.932 185 HD1 PHE 24 HD1 PHE 24 62.319 -2.783 -3.010 186 HD2 PHE 24 HD2 PHE 24 61.665 -4.336 -6.961 187 HE1 PHE 24 HE1 PHE 24 64.472 -4.005 -2.886 188 HE2 PHE 24 HE2 PHE 24 63.819 -5.559 -6.837 189 HZ PHE 24 HZ PHE 24 65.224 -5.394 -4.800 190 H ASP 25 H ASP 25 60.159 -1.055 -7.642 191 HA ASP 25 HA ASP 25 62.717 -1.343 -8.900 192 1HB ASP 25 1HB ASP 25 60.260 -1.550 -9.761 193 2HB ASP 25 2HB ASP 25 60.382 0.188 -10.038 194 H ILE 26 H ILE 26 60.711 1.598 -8.441 195 HA ILE 26 HA ILE 26 62.700 3.452 -9.341 196 HB ILE 26 HB ILE 26 60.225 3.559 -7.621 197 1HG1 ILE 26 1HG1 ILE 26 59.842 5.212 -9.739 198 2HG1 ILE 26 2HG1 ILE 26 60.999 4.078 -10.437 199 1HG2 ILE 26 1HG2 ILE 26 61.832 5.295 -6.807 200 2HG2 ILE 26 2HG2 ILE 26 61.912 5.943 -8.446 201 3HG2 ILE 26 3HG2 ILE 26 60.392 5.990 -7.551 202 1HD1 ILE 26 1HD1 ILE 26 58.793 2.879 -8.855 203 2HD1 ILE 26 2HD1 ILE 26 58.335 3.612 -10.393 204 3HD1 ILE 26 3HD1 ILE 26 59.537 2.321 -10.354 205 H PHE 27 H PHE 27 62.234 1.800 -6.297 206 HA PHE 27 HA PHE 27 63.741 3.603 -4.616 207 1HB PHE 27 1HB PHE 27 62.519 0.921 -4.540 208 2HB PHE 27 2HB PHE 27 63.926 1.094 -3.492 209 HD1 PHE 27 HD1 PHE 27 60.813 2.958 -4.457 210 HD2 PHE 27 HD2 PHE 27 63.624 1.983 -1.357 211 HE1 PHE 27 HE1 PHE 27 59.437 4.208 -2.815 212 HE2 PHE 27 HE2 PHE 27 62.247 3.233 0.283 213 HZ PHE 27 HZ PHE 27 60.153 4.345 -0.445 214 H VAL 28 H VAL 28 64.657 1.168 -6.940 215 HA VAL 28 HA VAL 28 67.507 1.445 -6.053 216 HB VAL 28 HB VAL 28 67.756 -0.900 -6.719 217 1HG1 VAL 28 1HG1 VAL 28 66.403 0.016 -4.509 218 2HG1 VAL 28 2HG1 VAL 28 65.270 -1.163 -5.168 219 3HG1 VAL 28 3HG1 VAL 28 66.911 -1.656 -4.752 220 1HG2 VAL 28 1HG2 VAL 28 65.379 -0.335 -8.187 221 2HG2 VAL 28 2HG2 VAL 28 66.332 -1.819 -8.201 222 3HG2 VAL 28 3HG2 VAL 28 65.006 -1.633 -7.052 223 H LEU 29 H LEU 29 65.523 2.546 -8.334 224 HA LEU 29 HA LEU 29 66.311 1.791 -10.881 225 1HB LEU 29 1HB LEU 29 65.049 3.961 -9.618 226 2HB LEU 29 2HB LEU 29 66.338 4.684 -10.582 227 HG LEU 29 HG LEU 29 64.444 2.614 -11.707 228 1HD1 LEU 29 1HD1 LEU 29 64.101 5.548 -11.291 229 2HD1 LEU 29 2HD1 LEU 29 63.570 4.883 -12.836 230 3HD1 LEU 29 3HD1 LEU 29 62.886 4.270 -11.330 231 1HD2 LEU 29 1HD2 LEU 29 66.706 3.172 -12.786 232 2HD2 LEU 29 2HD2 LEU 29 65.288 3.335 -13.821 233 3HD2 LEU 29 3HD2 LEU 29 66.034 4.769 -13.115 234 H GLY 30 H GLY 30 68.095 3.960 -8.672 235 1HA GLY 30 1HA GLY 30 70.407 3.865 -10.555 236 2HA GLY 30 2HA GLY 30 70.179 5.086 -9.303 237 H ALA 31 H ALA 31 69.483 1.797 -8.474 238 HA ALA 31 HA ALA 31 71.384 1.768 -6.317 239 1HB ALA 31 1HB ALA 31 69.243 0.496 -6.457 240 2HB ALA 31 2HB ALA 31 69.944 -0.501 -7.732 241 3HB ALA 31 3HB ALA 31 70.612 -0.557 -6.101 242 H GLU 32 H GLU 32 72.466 -0.880 -6.623 243 HA GLU 32 HA GLU 32 74.314 -0.578 -8.961 244 1HB GLU 32 1HB GLU 32 75.272 0.335 -6.834 245 2HB GLU 32 2HB GLU 32 75.071 -1.257 -6.101 246 1HG GLU 32 1HG GLU 32 76.437 -1.406 -8.676 247 2HG GLU 32 2HG GLU 32 77.302 -0.386 -7.526 248 H ASP 33 H ASP 33 72.974 -2.697 -6.438 249 HA ASP 33 HA ASP 33 73.505 -5.038 -8.242 250 1HB ASP 33 1HB ASP 33 74.436 -4.450 -5.633 251 2HB ASP 33 2HB ASP 33 73.231 -5.725 -5.448 252 H GLY 34 H GLY 34 71.271 -3.381 -6.087 253 1HA GLY 34 1HA GLY 34 68.857 -3.847 -7.009 254 2HA GLY 34 2HA GLY 34 69.229 -5.504 -6.531 255 H CYS 35 H CYS 35 70.125 -2.510 -4.841 256 HA CYS 35 HA CYS 35 68.305 -3.311 -2.599 257 1HB CYS 35 1HB CYS 35 70.147 -2.931 -1.055 258 2HB CYS 35 2HB CYS 35 70.699 -4.045 -2.306 259 HG CYS 35 HG CYS 35 72.481 -2.110 -2.016 260 H ILE 36 H ILE 36 68.951 -1.235 -0.866 261 HA ILE 36 HA ILE 36 68.447 1.255 -2.460 262 HB ILE 36 HB ILE 36 67.038 0.296 0.054 263 1HG1 ILE 36 1HG1 ILE 36 65.793 0.712 -2.660 264 2HG1 ILE 36 2HG1 ILE 36 66.560 -0.822 -2.250 265 1HG2 ILE 36 1HG2 ILE 36 67.396 2.902 -0.943 266 2HG2 ILE 36 2HG2 ILE 36 65.765 2.439 -1.427 267 3HG2 ILE 36 3HG2 ILE 36 66.227 2.387 0.274 268 1HD1 ILE 36 1HD1 ILE 36 64.818 0.104 -0.109 269 2HD1 ILE 36 2HD1 ILE 36 63.940 -0.067 -1.628 270 3HD1 ILE 36 3HD1 ILE 36 64.817 -1.441 -0.958 271 H SER 37 H SER 37 69.183 3.195 -1.409 272 HA SER 37 HA SER 37 70.649 2.969 1.162 273 1HB SER 37 1HB SER 37 71.960 2.372 -1.102 274 2HB SER 37 2HB SER 37 72.115 4.124 -1.153 275 HG SER 37 HG SER 37 73.726 2.706 0.084 276 H THR 38 H THR 38 68.331 4.430 0.259 277 HA THR 38 HA THR 38 67.422 6.590 0.597 278 HB THR 38 HB THR 38 68.653 8.068 1.901 279 HG1 THR 38 HG1 THR 38 70.385 8.806 1.037 280 1HG2 THR 38 1HG2 THR 38 69.008 5.405 2.496 281 2HG2 THR 38 2HG2 THR 38 70.663 6.016 2.511 282 3HG2 THR 38 3HG2 THR 38 69.444 6.746 3.556 283 H LYS 39 H LYS 39 70.662 6.842 -0.956 284 HA LYS 39 HA LYS 39 70.217 8.991 -2.671 285 1HB LYS 39 1HB LYS 39 71.785 6.463 -2.706 286 2HB LYS 39 2HB LYS 39 71.618 7.285 -4.259 287 1HG LYS 39 1HG LYS 39 72.342 9.416 -3.076 288 2HG LYS 39 2HG LYS 39 72.761 8.407 -1.692 289 1HD LYS 39 1HD LYS 39 74.086 7.004 -3.479 290 2HD LYS 39 2HD LYS 39 74.018 8.498 -4.415 291 1HE LYS 39 1HE LYS 39 74.808 8.810 -1.565 292 2HE LYS 39 2HE LYS 39 75.987 8.004 -2.620 293 1HZ LYS 39 1HZ LYS 39 75.322 9.877 -4.262 294 2HZ LYS 39 2HZ LYS 39 74.823 10.697 -2.860 295 3HZ LYS 39 3HZ LYS 39 76.440 10.213 -3.027 296 H GLU 40 H GLU 40 69.120 5.638 -3.021 297 HA GLU 40 HA GLU 40 67.701 6.272 -5.552 298 1HB GLU 40 1HB GLU 40 67.755 3.686 -3.980 299 2HB GLU 40 2HB GLU 40 67.483 3.894 -5.711 300 1HG GLU 40 1HG GLU 40 70.073 4.497 -4.255 301 2HG GLU 40 2HG GLU 40 69.771 3.075 -5.255 302 H LEU 41 H LEU 41 67.134 5.646 -2.147 303 HA LEU 41 HA LEU 41 64.251 5.294 -2.364 304 1HB LEU 41 1HB LEU 41 64.965 4.329 -0.422 305 2HB LEU 41 2HB LEU 41 66.403 5.340 -0.350 306 HG LEU 41 HG LEU 41 65.037 7.212 0.526 307 1HD1 LEU 41 1HD1 LEU 41 62.923 6.008 -0.616 308 2HD1 LEU 41 2HD1 LEU 41 62.740 5.382 1.023 309 3HD1 LEU 41 3HD1 LEU 41 62.752 7.123 0.739 310 1HD2 LEU 41 1HD2 LEU 41 64.759 4.582 2.017 311 2HD2 LEU 41 2HD2 LEU 41 66.101 5.721 2.137 312 3HD2 LEU 41 3HD2 LEU 41 64.505 6.170 2.740 313 H GLY 42 H GLY 42 66.316 7.940 -1.085 314 1HA GLY 42 1HA GLY 42 64.308 9.817 -0.550 315 2HA GLY 42 2HA GLY 42 65.937 10.262 -1.067 316 H LYS 43 H LYS 43 65.688 8.862 -3.649 317 HA LYS 43 HA LYS 43 64.874 10.923 -5.349 318 1HB LYS 43 1HB LYS 43 65.631 8.173 -5.481 319 2HB LYS 43 2HB LYS 43 64.224 8.387 -6.523 320 1HG LYS 43 1HG LYS 43 65.358 10.338 -7.590 321 2HG LYS 43 2HG LYS 43 66.787 10.002 -6.614 322 1HD LYS 43 1HD LYS 43 67.181 7.944 -7.688 323 2HD LYS 43 2HD LYS 43 65.555 7.887 -8.367 324 1HE LYS 43 1HE LYS 43 67.780 9.803 -9.157 325 2HE LYS 43 2HE LYS 43 67.061 8.528 -10.162 326 1HZ LYS 43 1HZ LYS 43 64.876 9.804 -9.374 327 2HZ LYS 43 2HZ LYS 43 65.962 11.110 -9.380 328 3HZ LYS 43 3HZ LYS 43 65.707 10.207 -10.797 329 H VAL 44 H VAL 44 62.889 8.355 -3.897 330 HA VAL 44 HA VAL 44 60.473 9.024 -5.356 331 HB VAL 44 HB VAL 44 61.193 7.433 -2.891 332 1HG1 VAL 44 1HG1 VAL 44 58.580 8.519 -3.620 333 2HG1 VAL 44 2HG1 VAL 44 58.570 6.757 -3.550 334 3HG1 VAL 44 3HG1 VAL 44 59.073 7.692 -2.142 335 1HG2 VAL 44 1HG2 VAL 44 60.590 6.934 -5.755 336 2HG2 VAL 44 2HG2 VAL 44 61.651 6.050 -4.659 337 3HG2 VAL 44 3HG2 VAL 44 59.910 5.771 -4.618 338 H MET 45 H MET 45 61.716 9.818 -2.098 339 HA MET 45 HA MET 45 59.581 11.196 -0.979 340 1HB MET 45 1HB MET 45 62.529 11.284 -0.896 341 2HB MET 45 2HB MET 45 61.745 12.761 -0.335 342 1HG MET 45 1HG MET 45 62.007 11.288 1.567 343 2HG MET 45 2HG MET 45 60.294 11.341 1.151 344 1HE MET 45 1HE MET 45 58.955 9.824 0.460 345 2HE MET 45 2HE MET 45 59.552 9.197 -1.076 346 3HE MET 45 3HE MET 45 59.189 8.090 0.255 347 H ARG 46 H ARG 46 61.960 12.513 -3.306 348 HA ARG 46 HA ARG 46 60.955 15.166 -3.434 349 1HB ARG 46 1HB ARG 46 62.561 13.307 -5.125 350 2HB ARG 46 2HB ARG 46 61.927 14.748 -5.919 351 1HG ARG 46 1HG ARG 46 62.858 15.927 -3.713 352 2HG ARG 46 2HG ARG 46 63.929 14.525 -3.711 353 1HD ARG 46 1HD ARG 46 64.053 15.259 -6.348 354 2HD ARG 46 2HD ARG 46 63.878 16.837 -5.553 355 HE ARG 46 HE ARG 46 65.734 15.684 -3.956 356 1HH1 ARG 46 1HH1 ARG 46 65.880 17.219 -6.856 357 2HH1 ARG 46 2HH1 ARG 46 67.364 16.508 -7.398 358 1HH2 ARG 46 1HH2 ARG 46 67.460 14.136 -4.871 359 2HH2 ARG 46 2HH2 ARG 46 68.259 14.765 -6.272 360 H MET 47 H MET 47 60.063 12.276 -5.353 361 HA MET 47 HA MET 47 58.002 13.734 -6.837 362 1HB MET 47 1HB MET 47 59.096 11.985 -7.994 363 2HB MET 47 2HB MET 47 59.016 10.900 -6.604 364 1HG MET 47 1HG MET 47 56.935 10.191 -7.132 365 2HG MET 47 2HG MET 47 56.388 11.814 -7.545 366 1HE MET 47 1HE MET 47 59.011 9.467 -8.245 367 2HE MET 47 2HE MET 47 58.422 8.566 -9.640 368 3HE MET 47 3HE MET 47 59.554 9.897 -9.873 369 H LEU 48 H LEU 48 58.205 11.632 -4.007 370 HA LEU 48 HA LEU 48 55.450 10.967 -3.713 371 1HB LEU 48 1HB LEU 48 57.939 10.832 -2.268 372 2HB LEU 48 2HB LEU 48 56.663 11.354 -1.171 373 HG LEU 48 HG LEU 48 57.009 8.822 -1.410 374 1HD1 LEU 48 1HD1 LEU 48 54.874 10.202 -0.679 375 2HD1 LEU 48 2HD1 LEU 48 54.214 9.566 -2.186 376 3HD1 LEU 48 3HD1 LEU 48 54.768 8.460 -0.930 377 1HD2 LEU 48 1HD2 LEU 48 56.934 9.351 -4.088 378 2HD2 LEU 48 2HD2 LEU 48 56.586 7.770 -3.389 379 3HD2 LEU 48 3HD2 LEU 48 55.265 8.864 -3.798 380 H GLY 49 H GLY 49 57.091 13.971 -3.412 381 1HA GLY 49 1HA GLY 49 55.832 16.052 -3.262 382 2HA GLY 49 2HA GLY 49 54.611 15.201 -2.315 383 H GLN 50 H GLN 50 58.056 14.820 -1.708 384 HA GLN 50 HA GLN 50 57.940 16.693 0.590 385 1HB GLN 50 1HB GLN 50 57.545 13.819 0.712 386 2HB GLN 50 2HB GLN 50 58.951 14.301 1.663 387 1HG GLN 50 1HG GLN 50 56.878 16.213 2.123 388 2HG GLN 50 2HG GLN 50 56.191 14.602 2.331 389 1HE2 GLN 50 2HE2 GLN 50 56.146 15.410 4.712 390 2HE2 GLN 50 1HE2 GLN 50 57.539 15.132 5.640 391 H ASN 51 H ASN 51 60.218 15.975 1.900 392 HA ASN 51 HA ASN 51 62.460 15.242 0.252 393 1HB ASN 51 1HB ASN 51 63.350 17.493 -0.166 394 2HB ASN 51 2HB ASN 51 61.728 17.366 -0.847 395 1HD2 ASN 51 2HD2 ASN 51 63.237 19.792 0.241 396 2HD2 ASN 51 1HD2 ASN 51 62.189 20.457 1.400 397 HA PRO 52 HA PRO 52 63.041 15.618 4.841 398 1HB PRO 52 1HB PRO 52 63.914 13.047 5.197 399 2HB PRO 52 2HB PRO 52 62.198 13.501 5.226 400 1HG PRO 52 1HG PRO 52 63.788 12.261 3.038 401 2HG PRO 52 2HG PRO 52 62.121 11.942 3.542 402 1HD PRO 52 1HD PRO 52 62.771 13.460 1.373 403 2HD PRO 52 2HD PRO 52 61.279 13.679 2.313 404 H THR 53 H THR 53 65.202 14.775 6.032 405 HA THR 53 HA THR 53 67.454 15.761 4.369 406 HB THR 53 HB THR 53 68.537 16.004 6.546 407 HG1 THR 53 HG1 THR 53 67.856 14.949 8.256 408 1HG2 THR 53 1HG2 THR 53 65.902 17.071 5.941 409 2HG2 THR 53 2HG2 THR 53 66.184 16.997 7.680 410 3HG2 THR 53 3HG2 THR 53 67.301 17.883 6.643 411 HA PRO 54 HA PRO 54 69.348 11.828 3.914 412 1HB PRO 54 1HB PRO 54 71.999 12.419 4.245 413 2HB PRO 54 2HB PRO 54 71.075 12.893 2.805 414 1HG PRO 54 1HG PRO 54 71.868 14.519 5.163 415 2HG PRO 54 2HG PRO 54 71.779 14.974 3.455 416 1HD PRO 54 1HD PRO 54 69.882 15.634 5.314 417 2HD PRO 54 2HD PRO 54 69.555 15.477 3.575 418 H GLU 55 H GLU 55 69.597 13.535 6.883 419 HA GLU 55 HA GLU 55 71.129 11.496 8.331 420 1HB GLU 55 1HB GLU 55 70.021 14.163 8.721 421 2HB GLU 55 2HB GLU 55 69.739 13.138 10.128 422 1HG GLU 55 1HG GLU 55 72.443 12.887 8.986 423 2HG GLU 55 2HG GLU 55 72.080 14.488 9.632 424 H GLU 56 H GLU 56 67.717 12.342 7.868 425 HA GLU 56 HA GLU 56 66.798 10.338 9.820 426 1HB GLU 56 1HB GLU 56 65.720 12.566 9.386 427 2HB GLU 56 2HB GLU 56 65.287 11.994 7.774 428 1HG GLU 56 1HG GLU 56 63.972 10.168 8.743 429 2HG GLU 56 2HG GLU 56 64.450 10.662 10.368 430 H LEU 57 H LEU 57 67.253 10.607 6.339 431 HA LEU 57 HA LEU 57 65.601 8.587 5.327 432 1HB LEU 57 1HB LEU 57 68.118 9.928 4.656 433 2HB LEU 57 2HB LEU 57 68.026 8.296 3.994 434 HG LEU 57 HG LEU 57 65.849 10.382 3.687 435 1HD1 LEU 57 1HD1 LEU 57 68.358 10.027 2.290 436 2HD1 LEU 57 2HD1 LEU 57 67.005 9.733 1.198 437 3HD1 LEU 57 3HD1 LEU 57 67.126 11.268 2.058 438 1HD2 LEU 57 1HD2 LEU 57 65.359 7.828 3.607 439 2HD2 LEU 57 2HD2 LEU 57 64.776 8.823 2.273 440 3HD2 LEU 57 3HD2 LEU 57 66.240 7.859 2.079 441 H GLN 58 H GLN 58 69.013 8.087 6.334 442 HA GLN 58 HA GLN 58 69.195 5.328 6.175 443 1HB GLN 58 1HB GLN 58 70.675 7.386 7.195 444 2HB GLN 58 2HB GLN 58 70.238 6.530 8.674 445 1HG GLN 58 1HG GLN 58 71.229 4.951 6.326 446 2HG GLN 58 2HG GLN 58 72.396 5.821 7.322 447 1HE2 GLN 58 2HE2 GLN 58 70.782 2.872 7.061 448 2HE2 GLN 58 1HE2 GLN 58 70.946 2.347 8.668 449 H GLU 59 H GLU 59 67.334 7.202 8.486 450 HA GLU 59 HA GLU 59 66.929 5.203 10.495 451 1HB GLU 59 1HB GLU 59 66.409 7.752 10.394 452 2HB GLU 59 2HB GLU 59 64.893 7.260 9.638 453 1HG GLU 59 1HG GLU 59 65.351 5.597 11.929 454 2HG GLU 59 2HG GLU 59 65.528 7.284 12.413 455 H MET 60 H MET 60 65.062 6.005 7.551 456 HA MET 60 HA MET 60 62.943 4.133 7.924 457 1HB MET 60 1HB MET 60 64.281 5.423 5.539 458 2HB MET 60 2HB MET 60 62.884 4.362 5.351 459 1HG MET 60 1HG MET 60 61.460 5.813 6.518 460 2HG MET 60 2HG MET 60 62.799 6.631 7.324 461 1HE MET 60 1HE MET 60 60.965 8.533 6.573 462 2HE MET 60 2HE MET 60 60.827 9.153 4.931 463 3HE MET 60 3HE MET 60 60.114 7.591 5.353 464 H ILE 61 H ILE 61 66.213 3.754 6.626 465 HA ILE 61 HA ILE 61 65.747 1.054 5.606 466 HB ILE 61 HB ILE 61 68.095 2.899 6.041 467 1HG1 ILE 61 1HG1 ILE 61 68.143 2.133 3.450 468 2HG1 ILE 61 2HG1 ILE 61 66.428 1.902 3.786 469 1HG2 ILE 61 1HG2 ILE 61 68.162 -0.007 5.903 470 2HG2 ILE 61 2HG2 ILE 61 69.015 0.718 4.541 471 3HG2 ILE 61 3HG2 ILE 61 69.482 1.125 6.192 472 1HD1 ILE 61 1HD1 ILE 61 67.934 4.449 4.435 473 2HD1 ILE 61 2HD1 ILE 61 67.013 4.210 2.951 474 3HD1 ILE 61 3HD1 ILE 61 66.190 4.194 4.512 475 H ASP 62 H ASP 62 67.582 2.405 8.380 476 HA ASP 62 HA ASP 62 68.417 -0.009 9.566 477 1HB ASP 62 1HB ASP 62 68.795 2.541 10.102 478 2HB ASP 62 2HB ASP 62 67.426 2.319 11.192 479 H GLU 63 H GLU 63 65.225 1.373 9.381 480 HA GLU 63 HA GLU 63 63.989 0.138 11.641 481 1HB GLU 63 1HB GLU 63 63.310 1.773 9.481 482 2HB GLU 63 2HB GLU 63 62.336 0.322 9.236 483 1HG GLU 63 1HG GLU 63 62.031 0.696 11.921 484 2HG GLU 63 2HG GLU 63 62.168 2.365 11.364 485 H VAL 64 H VAL 64 64.661 -1.055 8.366 486 HA VAL 64 HA VAL 64 63.805 -3.784 9.275 487 HB VAL 64 HB VAL 64 62.891 -4.098 7.019 488 1HG1 VAL 64 1HG1 VAL 64 61.594 -2.873 8.884 489 2HG1 VAL 64 2HG1 VAL 64 61.929 -1.399 7.974 490 3HG1 VAL 64 3HG1 VAL 64 60.990 -2.696 7.237 491 1HG2 VAL 64 1HG2 VAL 64 64.395 -1.586 6.566 492 2HG2 VAL 64 2HG2 VAL 64 64.033 -2.898 5.444 493 3HG2 VAL 64 3HG2 VAL 64 62.815 -1.668 5.785 494 H ASP 65 H ASP 65 66.392 -3.339 9.669 495 HA ASP 65 HA ASP 65 67.772 -4.459 7.248 496 1HB ASP 65 1HB ASP 65 68.132 -1.984 8.278 497 2HB ASP 65 2HB ASP 65 69.278 -2.881 9.274 498 H GLU 66 H GLU 66 67.691 -6.641 7.974 499 HA GLU 66 HA GLU 66 68.761 -7.250 10.685 500 1HB GLU 66 1HB GLU 66 67.372 -8.852 8.516 501 2HB GLU 66 2HB GLU 66 67.929 -9.554 10.037 502 1HG GLU 66 1HG GLU 66 66.550 -7.824 11.248 503 2HG GLU 66 2HG GLU 66 65.878 -7.352 9.688 504 H ASP 67 H ASP 67 70.378 -6.375 8.203 505 HA ASP 67 HA ASP 67 72.317 -8.660 8.287 506 1HB ASP 67 1HB ASP 67 72.736 -7.983 5.837 507 2HB ASP 67 2HB ASP 67 71.212 -8.806 6.177 508 H GLY 68 H GLY 68 71.849 -5.579 9.217 509 1HA GLY 68 1HA GLY 68 73.243 -3.718 9.580 510 2HA GLY 68 2HA GLY 68 74.503 -4.935 9.789 511 H SER 69 H SER 69 72.859 -4.746 6.733 512 HA SER 69 HA SER 69 75.380 -4.143 5.367 513 1HB SER 69 1HB SER 69 74.074 -4.640 3.399 514 2HB SER 69 2HB SER 69 73.555 -5.762 4.653 515 HG SER 69 HG SER 69 71.742 -4.548 4.976 516 H GLY 70 H GLY 70 72.606 -2.351 6.466 517 1HA GLY 70 1HA GLY 70 72.359 0.005 6.528 518 2HA GLY 70 2HA GLY 70 73.830 0.153 5.565 519 H THR 71 H THR 71 71.599 -2.079 4.279 520 HA THR 71 HA THR 71 70.393 -0.008 2.488 521 HB THR 71 HB THR 71 70.957 -1.570 0.589 522 HG1 THR 71 HG1 THR 71 71.230 -3.417 1.944 523 1HG2 THR 71 1HG2 THR 71 72.467 0.376 1.692 524 2HG2 THR 71 2HG2 THR 71 73.569 -0.988 1.879 525 3HG2 THR 71 3HG2 THR 71 72.979 -0.543 0.278 526 H VAL 72 H VAL 72 68.697 -1.264 1.010 527 HA VAL 72 HA VAL 72 67.296 -3.312 2.698 528 HB VAL 72 HB VAL 72 66.189 -0.909 1.207 529 1HG1 VAL 72 1HG1 VAL 72 64.738 -2.969 1.106 530 2HG1 VAL 72 2HG1 VAL 72 64.694 -2.959 2.869 531 3HG1 VAL 72 3HG1 VAL 72 64.000 -1.616 1.961 532 1HG2 VAL 72 1HG2 VAL 72 66.537 -1.627 4.124 533 2HG2 VAL 72 2HG2 VAL 72 67.113 -0.190 3.281 534 3HG2 VAL 72 3HG2 VAL 72 65.391 -0.393 3.599 535 H ASP 73 H ASP 73 65.800 -4.682 1.415 536 HA ASP 73 HA ASP 73 66.373 -4.740 -1.518 537 1HB ASP 73 1HB ASP 73 67.430 -6.460 0.494 538 2HB ASP 73 2HB ASP 73 66.263 -7.401 -0.436 539 H PHE 74 H PHE 74 64.787 -6.261 -2.635 540 HA PHE 74 HA PHE 74 62.110 -5.642 -2.171 541 1HB PHE 74 1HB PHE 74 63.118 -6.784 -4.156 542 2HB PHE 74 2HB PHE 74 63.239 -8.264 -3.205 543 HD1 PHE 74 HD1 PHE 74 60.511 -5.716 -3.217 544 HD2 PHE 74 HD2 PHE 74 61.682 -9.726 -4.219 545 HE1 PHE 74 HE1 PHE 74 58.157 -6.265 -3.767 546 HE2 PHE 74 HE2 PHE 74 59.326 -10.275 -4.769 547 HZ PHE 74 HZ PHE 74 57.564 -8.545 -4.544 548 H ASP 75 H ASP 75 64.119 -7.928 -0.454 549 HA ASP 75 HA ASP 75 61.943 -9.445 0.750 550 1HB ASP 75 1HB ASP 75 64.313 -10.207 0.385 551 2HB ASP 75 2HB ASP 75 64.824 -9.069 1.631 552 H GLU 76 H GLU 76 64.225 -6.997 2.050 553 HA GLU 76 HA GLU 76 62.779 -6.703 4.548 554 1HB GLU 76 1HB GLU 76 64.858 -5.019 3.112 555 2HB GLU 76 2HB GLU 76 64.358 -4.765 4.783 556 1HG GLU 76 1HG GLU 76 65.239 -6.851 5.484 557 2HG GLU 76 2HG GLU 76 65.367 -7.444 3.828 558 H PHE 77 H PHE 77 62.900 -4.848 1.503 559 HA PHE 77 HA PHE 77 61.432 -2.569 2.157 560 1HB PHE 77 1HB PHE 77 62.458 -3.172 -0.041 561 2HB PHE 77 2HB PHE 77 61.139 -4.310 -0.314 562 HD1 PHE 77 HD1 PHE 77 58.705 -3.286 0.021 563 HD2 PHE 77 HD2 PHE 77 62.234 -1.002 -0.863 564 HE1 PHE 77 HE1 PHE 77 57.292 -1.442 -0.851 565 HE2 PHE 77 HE2 PHE 77 60.821 0.842 -1.736 566 HZ PHE 77 HZ PHE 77 58.352 0.621 -1.729 567 H LEU 78 H LEU 78 60.013 -5.648 0.970 568 HA LEU 78 HA LEU 78 57.297 -5.039 1.201 569 1HB LEU 78 1HB LEU 78 58.989 -7.496 1.522 570 2HB LEU 78 2HB LEU 78 57.262 -7.609 1.867 571 HG LEU 78 HG LEU 78 58.422 -6.511 -0.710 572 1HD1 LEU 78 1HD1 LEU 78 58.530 -9.115 0.004 573 2HD1 LEU 78 2HD1 LEU 78 56.889 -9.057 -0.640 574 3HD1 LEU 78 3HD1 LEU 78 58.252 -8.592 -1.657 575 1HD2 LEU 78 1HD2 LEU 78 55.667 -6.898 0.408 576 2HD2 LEU 78 2HD2 LEU 78 56.299 -5.575 -0.572 577 3HD2 LEU 78 3HD2 LEU 78 55.909 -7.120 -1.325 578 H VAL 79 H VAL 79 59.466 -6.246 3.782 579 HA VAL 79 HA VAL 79 57.592 -6.535 5.867 580 HB VAL 79 HB VAL 79 60.473 -5.582 5.835 581 1HG1 VAL 79 1HG1 VAL 79 59.190 -5.009 7.950 582 2HG1 VAL 79 2HG1 VAL 79 58.943 -6.739 8.178 583 3HG1 VAL 79 3HG1 VAL 79 60.575 -6.074 8.186 584 1HG2 VAL 79 1HG2 VAL 79 59.892 -7.863 4.891 585 2HG2 VAL 79 2HG2 VAL 79 61.007 -7.895 6.258 586 3HG2 VAL 79 3HG2 VAL 79 59.307 -8.301 6.497 587 H MET 80 H MET 80 59.339 -3.593 4.824 588 HA MET 80 HA MET 80 58.431 -1.824 6.847 589 1HB MET 80 1HB MET 80 59.802 -1.774 4.338 590 2HB MET 80 2HB MET 80 58.579 -0.502 4.310 591 1HG MET 80 1HG MET 80 59.592 -0.215 6.837 592 2HG MET 80 2HG MET 80 61.026 -0.722 5.944 593 1HE MET 80 1HE MET 80 61.284 -0.143 3.664 594 2HE MET 80 2HE MET 80 60.457 1.142 2.786 595 3HE MET 80 3HE MET 80 62.002 1.464 3.585 596 H MET 81 H MET 81 56.956 -2.638 3.692 597 HA MET 81 HA MET 81 54.734 -0.873 3.811 598 1HB MET 81 1HB MET 81 55.643 -3.236 2.356 599 2HB MET 81 2HB MET 81 53.888 -3.210 2.533 600 1HG MET 81 1HG MET 81 54.694 -2.020 0.478 601 2HG MET 81 2HG MET 81 53.769 -0.985 1.567 602 1HE MET 81 1HE MET 81 54.956 0.104 -0.468 603 2HE MET 81 2HE MET 81 55.335 1.558 0.451 604 3HE MET 81 3HE MET 81 56.601 0.734 -0.468 605 H VAL 82 H VAL 82 55.329 -3.940 5.421 606 HA VAL 82 HA VAL 82 52.560 -4.408 6.201 607 HB VAL 82 HB VAL 82 55.147 -5.465 7.382 608 1HG1 VAL 82 1HG1 VAL 82 52.314 -6.004 7.790 609 2HG1 VAL 82 2HG1 VAL 82 53.180 -7.453 7.279 610 3HG1 VAL 82 3HG1 VAL 82 53.702 -6.575 8.716 611 1HG2 VAL 82 1HG2 VAL 82 53.653 -6.132 4.855 612 2HG2 VAL 82 2HG2 VAL 82 55.391 -5.964 5.104 613 3HG2 VAL 82 3HG2 VAL 82 54.549 -7.392 5.704 614 H ARG 83 H ARG 83 55.453 -3.060 7.803 615 HA ARG 83 HA ARG 83 54.359 -2.679 10.398 616 1HB ARG 83 1HB ARG 83 56.368 -1.035 8.820 617 2HB ARG 83 2HB ARG 83 56.183 -1.002 10.573 618 1HG ARG 83 1HG ARG 83 56.711 -3.426 10.657 619 2HG ARG 83 2HG ARG 83 56.953 -3.418 8.909 620 1HD ARG 83 1HD ARG 83 58.863 -1.992 9.073 621 2HD ARG 83 2HD ARG 83 58.496 -1.579 10.760 622 HE ARG 83 HE ARG 83 59.224 -4.361 9.916 623 1HH1 ARG 83 1HH1 ARG 83 58.143 -3.259 12.688 624 2HH1 ARG 83 2HH1 ARG 83 59.609 -3.359 13.606 625 1HH2 ARG 83 1HH2 ARG 83 61.632 -3.809 10.827 626 2HH2 ARG 83 2HH2 ARG 83 61.583 -3.671 12.553 627 H CYS 84 H CYS 84 53.868 -0.908 7.416 628 HA CYS 84 HA CYS 84 52.761 1.482 8.689 629 1HB CYS 84 1HB CYS 84 53.751 0.688 6.191 630 2HB CYS 84 2HB CYS 84 52.038 1.002 5.907 631 HG CYS 84 HG CYS 84 53.951 3.163 6.045 632 H MET 85 H MET 85 51.586 -1.577 8.603 633 HA MET 85 HA MET 85 48.791 -0.650 8.856 634 1HB MET 85 1HB MET 85 48.102 -2.387 7.125 635 2HB MET 85 2HB MET 85 48.965 -0.992 6.476 636 1HG MET 85 1HG MET 85 51.102 -2.385 6.742 637 2HG MET 85 2HG MET 85 50.039 -3.770 6.988 638 1HE MET 85 1HE MET 85 47.801 -3.593 5.684 639 2HE MET 85 2HE MET 85 47.634 -2.193 4.628 640 3HE MET 85 3HE MET 85 47.820 -3.798 3.927 641 H LYS 86 H LYS 86 47.802 -1.864 10.441 642 HA LYS 86 HA LYS 86 48.683 -4.664 10.913 643 1HB LYS 86 1HB LYS 86 50.043 -2.870 12.216 644 2HB LYS 86 2HB LYS 86 48.577 -2.670 13.175 645 1HG LYS 86 1HG LYS 86 48.691 -4.825 14.053 646 2HG LYS 86 2HG LYS 86 49.648 -5.433 12.702 647 1HD LYS 86 1HD LYS 86 51.615 -4.801 13.649 648 2HD LYS 86 2HD LYS 86 50.948 -3.277 14.239 649 1HE LYS 86 1HE LYS 86 49.680 -4.692 15.982 650 2HE LYS 86 2HE LYS 86 50.783 -6.008 15.530 651 1HZ LYS 86 1HZ LYS 86 51.839 -3.311 16.073 652 2HZ LYS 86 2HZ LYS 86 51.501 -4.358 17.368 653 3HZ LYS 86 3HZ LYS 86 52.629 -4.809 16.181 654 H ASP 87 H ASP 87 47.055 -5.912 11.935 655 HA ASP 87 HA ASP 87 44.480 -4.482 12.516 656 1HB ASP 87 1HB ASP 87 44.644 -5.764 10.331 657 2HB ASP 87 2HB ASP 87 44.838 -7.231 11.290 658 H ASP 88 H ASP 88 44.358 -4.613 14.748 659 HA ASP 88 HA ASP 88 45.522 -6.632 16.388 660 1HB ASP 88 1HB ASP 88 43.062 -4.922 16.874 661 2HB ASP 88 2HB ASP 88 44.105 -5.627 18.110 662 H SER 89 H SER 89 43.528 -7.630 18.021 663 HA SER 89 HA SER 89 42.323 -9.702 16.282 664 1HB SER 89 1HB SER 89 43.283 -10.687 18.139 665 2HB SER 89 2HB SER 89 42.984 -9.286 19.163 666 HG SER 89 HG SER 89 41.420 -10.531 19.864 667 1H ARG 1 1H ARG 1 58.712 8.592 8.652 668 2H ARG 1 2H ARG 1 57.193 8.086 9.221 669 3H ARG 1 3H ARG 1 58.604 7.667 10.070 670 HA ARG 1 HA ARG 1 59.333 6.241 8.284 671 1HB ARG 1 1HB ARG 1 56.570 6.036 9.456 672 2HB ARG 1 2HB ARG 1 57.148 4.771 8.371 673 1HG ARG 1 1HG ARG 1 59.253 4.706 9.857 674 2HG ARG 1 2HG ARG 1 58.307 5.633 11.023 675 1HD ARG 1 1HD ARG 1 57.539 2.924 9.869 676 2HD ARG 1 2HD ARG 1 58.088 3.239 11.528 677 HE ARG 1 HE ARG 1 55.971 5.015 11.121 678 1HH1 ARG 1 1HH1 ARG 1 56.458 1.609 10.845 679 2HH1 ARG 1 2HH1 ARG 1 54.854 1.207 11.359 680 1HH2 ARG 1 1HH2 ARG 1 53.894 4.502 11.848 681 2HH2 ARG 1 2HH2 ARG 1 53.404 2.843 11.926 682 H ILE 2 H ILE 2 58.406 5.034 6.287 683 HA ILE 2 HA ILE 2 57.748 6.984 4.238 684 HB ILE 2 HB ILE 2 57.902 3.955 4.326 685 1HG1 ILE 2 1HG1 ILE 2 59.809 6.073 3.279 686 2HG1 ILE 2 2HG1 ILE 2 60.011 5.172 4.782 687 1HG2 ILE 2 1HG2 ILE 2 56.912 5.745 2.265 688 2HG2 ILE 2 2HG2 ILE 2 58.344 4.878 1.707 689 3HG2 ILE 2 3HG2 ILE 2 56.939 3.981 2.286 690 1HD1 ILE 2 1HD1 ILE 2 59.538 3.253 2.752 691 2HD1 ILE 2 2HD1 ILE 2 60.726 4.385 2.106 692 3HD1 ILE 2 3HD1 ILE 2 61.043 3.544 3.624 693 H SER 3 H SER 3 55.761 7.164 3.087 694 HA SER 3 HA SER 3 53.374 6.247 4.597 695 1HB SER 3 1HB SER 3 54.034 8.315 2.522 696 2HB SER 3 2HB SER 3 52.357 7.823 2.739 697 HG SER 3 HG SER 3 53.569 9.595 4.125 698 H ALA 4 H ALA 4 51.451 5.945 2.759 699 HA ALA 4 HA ALA 4 52.455 4.021 0.700 700 1HB ALA 4 1HB ALA 4 50.565 3.605 2.999 701 2HB ALA 4 2HB ALA 4 50.341 2.668 1.522 702 3HB ALA 4 3HB ALA 4 51.856 2.553 2.418 703 H ASP 5 H ASP 5 49.778 6.013 1.927 704 HA ASP 5 HA ASP 5 48.030 5.683 -0.331 705 1HB ASP 5 1HB ASP 5 46.924 7.656 0.659 706 2HB ASP 5 2HB ASP 5 47.391 6.513 1.918 707 H ALA 6 H ALA 6 50.522 8.124 0.445 708 HA ALA 6 HA ALA 6 50.058 9.563 -2.079 709 1HB ALA 6 1HB ALA 6 50.961 10.200 0.426 710 2HB ALA 6 2HB ALA 6 52.480 10.079 -0.464 711 3HB ALA 6 3HB ALA 6 51.229 11.201 -1.001 712 H MET 7 H MET 7 52.399 7.258 -0.759 713 HA MET 7 HA MET 7 54.505 7.460 -2.605 714 1HB MET 7 1HB MET 7 53.739 5.828 -0.530 715 2HB MET 7 2HB MET 7 53.661 4.724 -1.903 716 1HG MET 7 1HG MET 7 56.043 6.387 -2.027 717 2HG MET 7 2HG MET 7 55.970 5.488 -0.511 718 1HE MET 7 1HE MET 7 56.526 5.802 -3.948 719 2HE MET 7 2HE MET 7 57.075 4.252 -4.582 720 3HE MET 7 3HE MET 7 55.356 4.640 -4.590 721 H MET 8 H MET 8 51.313 6.001 -3.042 722 HA MET 8 HA MET 8 52.049 4.766 -5.609 723 1HB MET 8 1HB MET 8 49.416 5.159 -4.151 724 2HB MET 8 2HB MET 8 49.646 4.129 -5.565 725 1HG MET 8 1HG MET 8 51.114 3.809 -2.932 726 2HG MET 8 2HG MET 8 49.740 2.831 -3.447 727 1HE MET 8 1HE MET 8 53.072 3.335 -3.022 728 2HE MET 8 2HE MET 8 53.973 2.134 -3.944 729 3HE MET 8 3HE MET 8 53.656 3.718 -4.647 730 H GLN 9 H GLN 9 49.706 7.307 -4.624 731 HA GLN 9 HA GLN 9 49.128 8.150 -7.314 732 1HB GLN 9 1HB GLN 9 48.071 10.054 -6.120 733 2HB GLN 9 2HB GLN 9 47.673 8.513 -5.360 734 1HG GLN 9 1HG GLN 9 49.128 8.887 -3.552 735 2HG GLN 9 2HG GLN 9 50.051 10.107 -4.427 736 1HE2 GLN 9 2HE2 GLN 9 49.028 12.256 -4.720 737 2HE2 GLN 9 1HE2 GLN 9 47.772 12.751 -3.692 738 H ALA 10 H ALA 10 51.635 9.053 -5.010 739 HA ALA 10 HA ALA 10 52.430 11.448 -6.522 740 1HB ALA 10 1HB ALA 10 52.531 11.100 -4.008 741 2HB ALA 10 2HB ALA 10 53.861 9.976 -4.293 742 3HB ALA 10 3HB ALA 10 54.031 11.676 -4.734 743 H LEU 11 H LEU 11 53.243 8.059 -6.477 744 HA LEU 11 HA LEU 11 55.494 8.616 -8.382 745 1HB LEU 11 1HB LEU 11 55.574 7.518 -5.808 746 2HB LEU 11 2HB LEU 11 55.690 6.126 -6.884 747 HG LEU 11 HG LEU 11 57.338 8.259 -7.898 748 1HD1 LEU 11 1HD1 LEU 11 57.553 7.607 -4.971 749 2HD1 LEU 11 2HD1 LEU 11 59.003 8.005 -5.891 750 3HD1 LEU 11 3HD1 LEU 11 57.688 9.173 -5.767 751 1HD2 LEU 11 1HD2 LEU 11 57.333 5.517 -7.824 752 2HD2 LEU 11 2HD2 LEU 11 58.719 6.493 -8.312 753 3HD2 LEU 11 3HD2 LEU 11 58.601 5.894 -6.657 754 H LEU 12 H LEU 12 53.851 5.656 -7.239 755 HA LEU 12 HA LEU 12 53.583 4.749 -10.043 756 1HB LEU 12 1HB LEU 12 52.919 3.428 -7.390 757 2HB LEU 12 2HB LEU 12 53.000 2.619 -8.951 758 HG LEU 12 HG LEU 12 55.126 2.137 -8.243 759 1HD1 LEU 12 1HD1 LEU 12 55.241 3.854 -10.181 760 2HD1 LEU 12 2HD1 LEU 12 55.795 4.991 -8.951 761 3HD1 LEU 12 3HD1 LEU 12 56.722 3.526 -9.281 762 1HD2 LEU 12 1HD2 LEU 12 54.510 4.206 -6.309 763 2HD2 LEU 12 2HD2 LEU 12 55.598 2.828 -6.156 764 3HD2 LEU 12 3HD2 LEU 12 56.182 4.338 -6.853 765 H GLY 13 H GLY 13 51.910 6.536 -10.417 766 1HA GLY 13 1HA GLY 13 49.339 5.601 -10.747 767 2HA GLY 13 2HA GLY 13 49.318 6.257 -9.110 768 H ALA 14 H ALA 14 48.039 7.200 -11.703 769 HA ALA 14 HA ALA 14 48.562 10.050 -11.293 770 1HB ALA 14 1HB ALA 14 50.192 8.601 -13.058 771 2HB ALA 14 2HB ALA 14 49.041 9.437 -14.099 772 3HB ALA 14 3HB ALA 14 50.043 10.357 -12.977 773 H ARG 15 H ARG 15 46.578 10.984 -11.572 774 HA ARG 15 HA ARG 15 44.209 9.796 -12.357 775 1HB ARG 15 1HB ARG 15 44.448 12.033 -11.366 776 2HB ARG 15 2HB ARG 15 45.164 12.632 -12.862 777 1HG ARG 15 1HG ARG 15 43.148 12.546 -14.025 778 2HG ARG 15 2HG ARG 15 42.472 11.312 -12.960 779 1HD ARG 15 1HD ARG 15 41.702 12.860 -11.457 780 2HD ARG 15 2HD ARG 15 43.133 13.893 -11.648 781 HE ARG 15 HE ARG 15 40.994 13.740 -13.740 782 1HH1 ARG 15 1HH1 ARG 15 43.687 15.181 -14.112 783 2HH1 ARG 15 2HH1 ARG 15 43.216 16.821 -13.818 784 1HH2 ARG 15 1HH2 ARG 15 40.190 15.964 -12.354 785 2HH2 ARG 15 2HH2 ARG 15 41.234 17.264 -12.823 786 H ALA 16 H ALA 16 42.954 9.952 -14.391 787 HA ALA 16 HA ALA 16 44.677 9.503 -16.765 788 1HB ALA 16 1HB ALA 16 41.980 8.780 -15.788 789 2HB ALA 16 2HB ALA 16 42.080 9.072 -17.524 790 3HB ALA 16 3HB ALA 16 43.102 7.846 -16.776 791 H LYS 17 H LYS 17 41.419 10.765 -17.032 792 HA LYS 17 HA LYS 17 42.456 13.051 -18.617 793 1HB LYS 17 1HB LYS 17 40.089 11.345 -18.486 794 2HB LYS 17 2HB LYS 17 39.662 13.053 -18.609 795 1HG LYS 17 1HG LYS 17 40.201 13.046 -20.790 796 2HG LYS 17 2HG LYS 17 41.843 12.540 -20.391 797 1HD LYS 17 1HD LYS 17 41.200 10.721 -21.657 798 2HD LYS 17 2HD LYS 17 40.636 10.178 -20.076 799 1HE LYS 17 1HE LYS 17 38.777 9.847 -21.550 800 2HE LYS 17 2HE LYS 17 38.403 11.346 -20.677 801 1HZ LYS 17 1HZ LYS 17 39.815 11.214 -23.289 802 2HZ LYS 17 2HZ LYS 17 38.169 11.595 -23.103 803 3HZ LYS 17 3HZ LYS 17 39.360 12.623 -22.461 Start of MODEL 18 1 1H MET 1 1H MET 1 57.298 -12.489 21.282 2 2H MET 1 2H MET 1 56.102 -13.582 20.780 3 3H MET 1 3H MET 1 57.092 -13.960 22.107 4 HA MET 1 HA MET 1 58.964 -14.345 20.778 5 1HB MET 1 1HB MET 1 56.822 -15.864 20.684 6 2HB MET 1 2HB MET 1 56.709 -15.286 19.021 7 1HG MET 1 1HG MET 1 59.417 -15.974 19.415 8 2HG MET 1 2HG MET 1 58.477 -17.287 20.124 9 1HE MET 1 1HE MET 1 59.360 -18.826 18.808 10 2HE MET 1 2HE MET 1 58.821 -19.293 17.188 11 3HE MET 1 3HE MET 1 60.176 -18.183 17.385 12 H ASP 2 H ASP 2 56.729 -12.104 19.458 13 HA ASP 2 HA ASP 2 56.974 -10.539 17.697 14 1HB ASP 2 1HB ASP 2 59.358 -10.763 18.824 15 2HB ASP 2 2HB ASP 2 59.770 -11.571 17.311 16 H ASP 3 H ASP 3 55.683 -11.366 16.036 17 HA ASP 3 HA ASP 3 57.013 -12.708 13.809 18 1HB ASP 3 1HB ASP 3 56.576 -14.486 15.582 19 2HB ASP 3 2HB ASP 3 54.854 -14.215 15.309 20 H ILE 4 H ILE 4 55.336 -10.301 14.307 21 HA ILE 4 HA ILE 4 52.801 -10.955 12.889 22 HB ILE 4 HB ILE 4 53.766 -8.294 13.965 23 1HG1 ILE 4 1HG1 ILE 4 52.029 -9.432 15.839 24 2HG1 ILE 4 2HG1 ILE 4 53.116 -10.749 15.401 25 1HG2 ILE 4 1HG2 ILE 4 51.526 -8.982 12.521 26 2HG2 ILE 4 2HG2 ILE 4 50.943 -9.100 14.181 27 3HG2 ILE 4 3HG2 ILE 4 51.640 -7.589 13.596 28 1HD1 ILE 4 1HD1 ILE 4 54.677 -8.370 15.673 29 2HD1 ILE 4 2HD1 ILE 4 53.653 -8.519 17.101 30 3HD1 ILE 4 3HD1 ILE 4 54.741 -9.834 16.656 31 H TYR 5 H TYR 5 55.961 -9.857 12.212 32 HA TYR 5 HA TYR 5 55.143 -8.290 9.823 33 1HB TYR 5 1HB TYR 5 57.834 -8.924 11.078 34 2HB TYR 5 2HB TYR 5 57.571 -7.781 9.762 35 HD1 TYR 5 HD1 TYR 5 55.431 -6.127 10.335 36 HD2 TYR 5 HD2 TYR 5 58.101 -7.945 13.166 37 HE1 TYR 5 HE1 TYR 5 54.891 -4.354 11.983 38 HE2 TYR 5 HE2 TYR 5 57.562 -6.173 14.815 39 HH TYR 5 HH TYR 5 56.714 -3.727 14.669 40 H LYS 6 H LYS 6 57.712 -10.725 10.356 41 HA LYS 6 HA LYS 6 57.975 -11.598 7.702 42 1HB LYS 6 1HB LYS 6 58.482 -12.655 10.434 43 2HB LYS 6 2HB LYS 6 58.505 -13.843 9.131 44 1HG LYS 6 1HG LYS 6 59.959 -11.859 7.986 45 2HG LYS 6 2HG LYS 6 60.372 -11.607 9.682 46 1HD LYS 6 1HD LYS 6 60.390 -14.436 8.939 47 2HD LYS 6 2HD LYS 6 61.537 -13.483 7.997 48 1HE LYS 6 1HE LYS 6 61.547 -12.766 10.846 49 2HE LYS 6 2HE LYS 6 62.019 -14.450 10.545 50 1HZ LYS 6 1HZ LYS 6 63.317 -13.365 8.578 51 2HZ LYS 6 2HZ LYS 6 63.243 -11.974 9.545 52 3HZ LYS 6 3HZ LYS 6 63.990 -13.380 10.138 53 H ALA 7 H ALA 7 55.674 -12.700 10.187 54 HA ALA 7 HA ALA 7 54.557 -14.882 8.687 55 1HB ALA 7 1HB ALA 7 53.476 -13.082 10.878 56 2HB ALA 7 2HB ALA 7 52.697 -14.575 10.356 57 3HB ALA 7 3HB ALA 7 54.297 -14.627 11.096 58 H ALA 8 H ALA 8 53.602 -11.454 9.015 59 HA ALA 8 HA ALA 8 51.252 -11.635 7.359 60 1HB ALA 8 1HB ALA 8 52.830 -9.683 8.804 61 2HB ALA 8 2HB ALA 8 52.346 -9.033 7.238 62 3HB ALA 8 3HB ALA 8 51.123 -9.615 8.367 63 H VAL 9 H VAL 9 54.615 -11.634 6.618 64 HA VAL 9 HA VAL 9 54.348 -10.488 3.926 65 HB VAL 9 HB VAL 9 56.610 -12.083 5.162 66 1HG1 VAL 9 1HG1 VAL 9 56.425 -10.007 2.963 67 2HG1 VAL 9 2HG1 VAL 9 57.953 -10.530 3.673 68 3HG1 VAL 9 3HG1 VAL 9 56.940 -11.687 2.810 69 1HG2 VAL 9 1HG2 VAL 9 55.463 -9.603 6.030 70 2HG2 VAL 9 2HG2 VAL 9 56.894 -10.422 6.656 71 3HG2 VAL 9 3HG2 VAL 9 57.047 -9.269 5.330 72 H GLU 10 H GLU 10 55.042 -13.738 5.270 73 HA GLU 10 HA GLU 10 55.142 -15.164 2.824 74 1HB GLU 10 1HB GLU 10 55.516 -15.735 5.412 75 2HB GLU 10 2HB GLU 10 53.878 -16.372 5.251 76 1HG GLU 10 1HG GLU 10 54.646 -17.694 3.265 77 2HG GLU 10 2HG GLU 10 56.291 -17.149 3.590 78 H GLN 11 H GLN 11 52.390 -13.945 4.640 79 HA GLN 11 HA GLN 11 50.435 -15.560 3.148 80 1HB GLN 11 1HB GLN 11 50.267 -13.286 5.149 81 2HB GLN 11 2HB GLN 11 48.855 -14.125 4.507 82 1HG GLN 11 1HG GLN 11 49.946 -16.293 5.302 83 2HG GLN 11 2HG GLN 11 51.092 -15.283 6.183 84 1HE2 GLN 11 2HE2 GLN 11 49.569 -16.869 7.797 85 2HE2 GLN 11 1HE2 GLN 11 48.339 -15.981 8.559 86 H LEU 12 H LEU 12 52.315 -13.182 2.067 87 HA LEU 12 HA LEU 12 50.661 -11.099 1.097 88 1HB LEU 12 1HB LEU 12 53.176 -12.472 0.161 89 2HB LEU 12 2HB LEU 12 52.476 -11.159 -0.786 90 HG LEU 12 HG LEU 12 52.965 -10.850 2.174 91 1HD1 LEU 12 1HD1 LEU 12 54.952 -11.132 0.084 92 2HD1 LEU 12 2HD1 LEU 12 55.007 -9.509 0.773 93 3HD1 LEU 12 3HD1 LEU 12 55.189 -10.918 1.818 94 1HD2 LEU 12 1HD2 LEU 12 52.227 -9.147 -0.147 95 2HD2 LEU 12 2HD2 LEU 12 51.772 -8.995 1.550 96 3HD2 LEU 12 3HD2 LEU 12 53.353 -8.432 1.007 97 H THR 13 H THR 13 49.489 -10.871 -0.882 98 HA THR 13 HA THR 13 48.422 -13.403 -1.974 99 HB THR 13 HB THR 13 47.205 -11.317 -3.290 100 HG1 THR 13 HG1 THR 13 46.923 -9.873 -1.336 101 1HG2 THR 13 1HG2 THR 13 46.687 -12.987 -0.932 102 2HG2 THR 13 2HG2 THR 13 45.789 -11.467 -0.930 103 3HG2 THR 13 3HG2 THR 13 45.625 -12.587 -2.283 104 H GLU 14 H GLU 14 48.674 -14.040 -4.144 105 HA GLU 14 HA GLU 14 51.035 -13.596 -5.543 106 1HB GLU 14 1HB GLU 14 48.616 -14.944 -5.883 107 2HB GLU 14 2HB GLU 14 48.712 -13.890 -7.295 108 1HG GLU 14 1HG GLU 14 50.493 -15.010 -8.171 109 2HG GLU 14 2HG GLU 14 51.232 -15.271 -6.591 110 H GLU 15 H GLU 15 48.034 -11.691 -5.713 111 HA GLU 15 HA GLU 15 48.964 -9.971 -7.871 112 1HB GLU 15 1HB GLU 15 46.607 -10.484 -6.295 113 2HB GLU 15 2HB GLU 15 46.916 -8.748 -6.328 114 1HG GLU 15 1HG GLU 15 45.816 -8.848 -8.324 115 2HG GLU 15 2HG GLU 15 47.384 -9.379 -8.934 116 H GLN 16 H GLN 16 48.612 -9.558 -4.330 117 HA GLN 16 HA GLN 16 49.463 -6.905 -4.050 118 1HB GLN 16 1HB GLN 16 48.644 -8.186 -2.193 119 2HB GLN 16 2HB GLN 16 49.912 -9.396 -2.389 120 1HG GLN 16 1HG GLN 16 51.568 -8.000 -1.515 121 2HG GLN 16 2HG GLN 16 50.661 -6.531 -1.881 122 1HE2 GLN 16 2HE2 GLN 16 51.126 -6.050 0.510 123 2HE2 GLN 16 1HE2 GLN 16 50.062 -6.691 1.667 124 H LYS 17 H LYS 17 51.514 -9.838 -4.175 125 HA LYS 17 HA LYS 17 54.044 -8.704 -3.794 126 1HB LYS 17 1HB LYS 17 52.968 -11.132 -4.517 127 2HB LYS 17 2HB LYS 17 53.854 -10.681 -5.974 128 1HG LYS 17 1HG LYS 17 55.765 -11.307 -4.969 129 2HG LYS 17 2HG LYS 17 55.524 -10.030 -3.776 130 1HD LYS 17 1HD LYS 17 55.009 -11.532 -2.180 131 2HD LYS 17 2HD LYS 17 53.786 -12.274 -3.212 132 1HE LYS 17 1HE LYS 17 56.743 -12.833 -3.576 133 2HE LYS 17 2HE LYS 17 55.708 -13.818 -2.522 134 1HZ LYS 17 1HZ LYS 17 55.145 -13.203 -5.376 135 2HZ LYS 17 2HZ LYS 17 55.763 -14.680 -4.804 136 3HZ LYS 17 3HZ LYS 17 54.201 -14.178 -4.359 137 H ASN 18 H ASN 18 52.056 -8.710 -6.739 138 HA ASN 18 HA ASN 18 54.086 -7.610 -8.481 139 1HB ASN 18 1HB ASN 18 51.058 -7.745 -8.527 140 2HB ASN 18 2HB ASN 18 52.011 -7.135 -9.880 141 1HD2 ASN 18 2HD2 ASN 18 50.931 -10.022 -8.262 142 2HD2 ASN 18 1HD2 ASN 18 51.746 -11.131 -9.258 143 H GLU 19 H GLU 19 51.783 -6.223 -6.221 144 HA GLU 19 HA GLU 19 51.861 -3.514 -7.236 145 1HB GLU 19 1HB GLU 19 50.311 -4.889 -5.526 146 2HB GLU 19 2HB GLU 19 51.389 -4.134 -4.352 147 1HG GLU 19 1HG GLU 19 50.520 -2.067 -4.703 148 2HG GLU 19 2HG GLU 19 50.433 -2.302 -6.449 149 H PHE 20 H PHE 20 53.805 -5.351 -4.913 150 HA PHE 20 HA PHE 20 55.254 -3.059 -3.869 151 1HB PHE 20 1HB PHE 20 55.478 -6.058 -3.830 152 2HB PHE 20 2HB PHE 20 56.810 -5.083 -3.209 153 HD1 PHE 20 HD1 PHE 20 55.446 -2.784 -2.017 154 HD2 PHE 20 HD2 PHE 20 54.382 -6.945 -1.948 155 HE1 PHE 20 HE1 PHE 20 54.204 -2.431 0.100 156 HE2 PHE 20 HE2 PHE 20 53.139 -6.592 0.169 157 HZ PHE 20 HZ PHE 20 53.050 -4.335 1.193 158 H LYS 21 H LYS 21 56.000 -5.572 -6.308 159 HA LYS 21 HA LYS 21 58.610 -5.014 -7.001 160 1HB LYS 21 1HB LYS 21 56.238 -6.109 -8.213 161 2HB LYS 21 2HB LYS 21 57.129 -5.186 -9.423 162 1HG LYS 21 1HG LYS 21 58.702 -6.985 -7.635 163 2HG LYS 21 2HG LYS 21 57.725 -7.739 -8.896 164 1HD LYS 21 1HD LYS 21 59.408 -5.387 -9.652 165 2HD LYS 21 2HD LYS 21 60.218 -6.932 -9.385 166 1HE LYS 21 1HE LYS 21 57.745 -6.980 -11.063 167 2HE LYS 21 2HE LYS 21 59.209 -6.290 -11.787 168 1HZ LYS 21 1HZ LYS 21 59.965 -8.549 -10.330 169 2HZ LYS 21 2HZ LYS 21 58.634 -8.999 -11.280 170 3HZ LYS 21 3HZ LYS 21 60.013 -8.332 -12.014 171 H ALA 22 H ALA 22 55.815 -2.952 -7.515 172 HA ALA 22 HA ALA 22 56.995 -1.162 -9.447 173 1HB ALA 22 1HB ALA 22 54.546 -1.531 -8.775 174 2HB ALA 22 2HB ALA 22 54.892 -0.529 -7.365 175 3HB ALA 22 3HB ALA 22 55.045 0.148 -8.987 176 H ALA 23 H ALA 23 56.207 -0.405 -6.033 177 HA ALA 23 HA ALA 23 57.843 1.867 -5.775 178 1HB ALA 23 1HB ALA 23 56.681 -0.216 -3.977 179 2HB ALA 23 2HB ALA 23 57.879 0.876 -3.281 180 3HB ALA 23 3HB ALA 23 56.405 1.526 -3.998 181 H PHE 24 H PHE 24 58.754 -1.487 -5.926 182 HA PHE 24 HA PHE 24 61.377 -1.146 -4.669 183 1HB PHE 24 1HB PHE 24 60.362 -3.289 -4.521 184 2HB PHE 24 2HB PHE 24 59.934 -3.294 -6.232 185 HD1 PHE 24 HD1 PHE 24 62.845 -3.342 -3.891 186 HD2 PHE 24 HD2 PHE 24 61.408 -4.189 -7.850 187 HE1 PHE 24 HE1 PHE 24 64.985 -4.476 -4.425 188 HE2 PHE 24 HE2 PHE 24 63.548 -5.323 -8.384 189 HZ PHE 24 HZ PHE 24 65.337 -5.467 -6.672 190 H ASP 25 H ASP 25 60.082 -1.255 -7.979 191 HA ASP 25 HA ASP 25 62.604 -1.306 -9.353 192 1HB ASP 25 1HB ASP 25 59.783 -1.103 -9.889 193 2HB ASP 25 2HB ASP 25 60.640 0.095 -10.860 194 H ILE 26 H ILE 26 60.640 1.326 -8.019 195 HA ILE 26 HA ILE 26 62.272 3.427 -9.263 196 HB ILE 26 HB ILE 26 60.103 3.385 -7.142 197 1HG1 ILE 26 1HG1 ILE 26 58.983 4.607 -9.227 198 2HG1 ILE 26 2HG1 ILE 26 60.192 3.683 -10.119 199 1HG2 ILE 26 1HG2 ILE 26 61.884 5.376 -7.316 200 2HG2 ILE 26 2HG2 ILE 26 60.832 5.860 -8.646 201 3HG2 ILE 26 3HG2 ILE 26 60.174 5.688 -7.018 202 1HD1 ILE 26 1HD1 ILE 26 58.441 2.367 -8.047 203 2HD1 ILE 26 2HD1 ILE 26 57.896 2.564 -9.713 204 3HD1 ILE 26 3HD1 ILE 26 59.341 1.614 -9.364 205 H PHE 27 H PHE 27 61.905 1.993 -6.018 206 HA PHE 27 HA PHE 27 63.590 3.725 -4.553 207 1HB PHE 27 1HB PHE 27 62.588 0.934 -4.401 208 2HB PHE 27 2HB PHE 27 63.992 1.296 -3.398 209 HD1 PHE 27 HD1 PHE 27 61.309 3.679 -4.392 210 HD2 PHE 27 HD2 PHE 27 63.004 1.319 -1.226 211 HE1 PHE 27 HE1 PHE 27 59.847 4.827 -2.752 212 HE2 PHE 27 HE2 PHE 27 61.540 2.469 0.413 213 HZ PHE 27 HZ PHE 27 59.963 4.224 -0.350 214 H VAL 28 H VAL 28 64.403 1.440 -7.026 215 HA VAL 28 HA VAL 28 67.307 1.694 -6.317 216 HB VAL 28 HB VAL 28 67.532 -0.507 -7.399 217 1HG1 VAL 28 1HG1 VAL 28 66.220 0.040 -4.980 218 2HG1 VAL 28 2HG1 VAL 28 65.256 -1.222 -5.747 219 3HG1 VAL 28 3HG1 VAL 28 66.974 -1.483 -5.447 220 1HG2 VAL 28 1HG2 VAL 28 65.075 0.232 -8.592 221 2HG2 VAL 28 2HG2 VAL 28 65.978 -1.261 -8.843 222 3HG2 VAL 28 3HG2 VAL 28 64.735 -1.183 -7.596 223 H LEU 29 H LEU 29 65.051 2.925 -8.349 224 HA LEU 29 HA LEU 29 65.915 2.621 -10.993 225 1HB LEU 29 1HB LEU 29 64.182 4.220 -9.525 226 2HB LEU 29 2HB LEU 29 65.297 5.386 -10.239 227 HG LEU 29 HG LEU 29 63.628 3.313 -11.686 228 1HD1 LEU 29 1HD1 LEU 29 63.784 6.340 -11.841 229 2HD1 LEU 29 2HD1 LEU 29 62.752 5.322 -12.846 230 3HD1 LEU 29 3HD1 LEU 29 62.479 5.409 -11.106 231 1HD2 LEU 29 1HD2 LEU 29 65.951 5.010 -12.621 232 2HD2 LEU 29 2HD2 LEU 29 65.733 3.270 -12.802 233 3HD2 LEU 29 3HD2 LEU 29 64.741 4.385 -13.741 234 H GLY 30 H GLY 30 67.544 4.234 -8.357 235 1HA GLY 30 1HA GLY 30 69.444 5.530 -10.244 236 2HA GLY 30 2HA GLY 30 69.334 5.866 -8.516 237 H ALA 31 H ALA 31 69.100 2.659 -8.515 238 HA ALA 31 HA ALA 31 72.012 2.309 -8.031 239 1HB ALA 31 1HB ALA 31 69.848 1.636 -6.591 240 2HB ALA 31 2HB ALA 31 69.976 0.173 -7.567 241 3HB ALA 31 3HB ALA 31 71.325 0.674 -6.547 242 H GLU 32 H GLU 32 72.957 0.166 -8.789 243 HA GLU 32 HA GLU 32 71.906 -0.527 -11.515 244 1HB GLU 32 1HB GLU 32 74.695 -0.336 -10.343 245 2HB GLU 32 2HB GLU 32 74.369 -1.075 -11.913 246 1HG GLU 32 1HG GLU 32 74.638 1.036 -12.715 247 2HG GLU 32 2HG GLU 32 72.991 1.281 -12.132 248 H ASP 33 H ASP 33 73.440 -1.792 -8.561 249 HA ASP 33 HA ASP 33 73.466 -4.557 -9.394 250 1HB ASP 33 1HB ASP 33 73.794 -2.954 -6.891 251 2HB ASP 33 2HB ASP 33 73.507 -4.687 -6.717 252 H GLY 34 H GLY 34 71.147 -2.560 -7.576 253 1HA GLY 34 1HA GLY 34 68.726 -3.162 -8.014 254 2HA GLY 34 2HA GLY 34 69.210 -4.836 -7.736 255 H CYS 35 H CYS 35 70.004 -1.835 -5.971 256 HA CYS 35 HA CYS 35 68.540 -2.863 -3.592 257 1HB CYS 35 1HB CYS 35 70.648 -2.523 -2.253 258 2HB CYS 35 2HB CYS 35 70.769 -3.823 -3.438 259 HG CYS 35 HG CYS 35 71.912 -0.974 -4.049 260 H ILE 36 H ILE 36 68.880 -1.102 -1.749 261 HA ILE 36 HA ILE 36 68.682 1.599 -3.046 262 HB ILE 36 HB ILE 36 67.310 0.486 -0.575 263 1HG1 ILE 36 1HG1 ILE 36 65.833 1.225 -3.061 264 2HG1 ILE 36 2HG1 ILE 36 66.755 -0.280 -3.093 265 1HG2 ILE 36 1HG2 ILE 36 67.746 3.000 -0.726 266 2HG2 ILE 36 2HG2 ILE 36 66.670 3.006 -2.121 267 3HG2 ILE 36 3HG2 ILE 36 66.060 2.521 -0.539 268 1HD1 ILE 36 1HD1 ILE 36 65.089 0.209 -0.677 269 2HD1 ILE 36 2HD1 ILE 36 64.227 -0.158 -2.172 270 3HD1 ILE 36 3HD1 ILE 36 65.413 -1.298 -1.535 271 H SER 37 H SER 37 69.365 3.403 -1.638 272 HA SER 37 HA SER 37 71.020 2.795 0.733 273 1HB SER 37 1HB SER 37 72.223 2.467 -1.606 274 2HB SER 37 2HB SER 37 72.319 4.222 -1.551 275 HG SER 37 HG SER 37 73.017 2.828 0.755 276 H THR 38 H THR 38 68.669 4.392 0.089 277 HA THR 38 HA THR 38 67.787 6.470 0.782 278 HB THR 38 HB THR 38 69.070 7.759 2.234 279 HG1 THR 38 HG1 THR 38 70.580 8.427 0.702 280 1HG2 THR 38 1HG2 THR 38 69.426 5.028 2.430 281 2HG2 THR 38 2HG2 THR 38 71.074 5.648 2.532 282 3HG2 THR 38 3HG2 THR 38 69.848 6.208 3.671 283 H LYS 39 H LYS 39 70.952 6.874 -0.898 284 HA LYS 39 HA LYS 39 70.448 9.277 -2.243 285 1HB LYS 39 1HB LYS 39 72.395 7.395 -2.241 286 2HB LYS 39 2HB LYS 39 71.648 7.033 -3.797 287 1HG LYS 39 1HG LYS 39 71.789 9.556 -4.266 288 2HG LYS 39 2HG LYS 39 72.883 9.634 -2.884 289 1HD LYS 39 1HD LYS 39 74.529 8.372 -3.940 290 2HD LYS 39 2HD LYS 39 73.378 7.587 -5.021 291 1HE LYS 39 1HE LYS 39 73.616 10.545 -5.293 292 2HE LYS 39 2HE LYS 39 74.992 9.580 -5.862 293 1HZ LYS 39 1HZ LYS 39 73.063 8.095 -6.806 294 2HZ LYS 39 2HZ LYS 39 72.206 9.562 -6.776 295 3HZ LYS 39 3HZ LYS 39 73.638 9.431 -7.680 296 H GLU 40 H GLU 40 69.176 6.055 -2.852 297 HA GLU 40 HA GLU 40 67.806 6.875 -5.345 298 1HB GLU 40 1HB GLU 40 67.622 4.309 -3.729 299 2HB GLU 40 2HB GLU 40 67.226 4.522 -5.434 300 1HG GLU 40 1HG GLU 40 69.341 3.697 -5.720 301 2HG GLU 40 2HG GLU 40 69.786 5.385 -5.463 302 H LEU 41 H LEU 41 67.227 6.564 -1.943 303 HA LEU 41 HA LEU 41 64.333 6.352 -2.023 304 1HB LEU 41 1HB LEU 41 66.136 5.783 -0.202 305 2HB LEU 41 2HB LEU 41 65.968 7.484 0.238 306 HG LEU 41 HG LEU 41 63.552 7.188 0.545 307 1HD1 LEU 41 1HD1 LEU 41 64.219 4.496 -0.579 308 2HD1 LEU 41 2HD1 LEU 41 62.883 4.627 0.566 309 3HD1 LEU 41 3HD1 LEU 41 62.848 5.550 -0.940 310 1HD2 LEU 41 1HD2 LEU 41 65.474 5.381 1.984 311 2HD2 LEU 41 2HD2 LEU 41 64.632 6.811 2.582 312 3HD2 LEU 41 3HD2 LEU 41 63.757 5.293 2.371 313 H GLY 42 H GLY 42 66.470 9.026 -0.965 314 1HA GLY 42 1HA GLY 42 64.658 11.050 -0.598 315 2HA GLY 42 2HA GLY 42 66.233 11.350 -1.332 316 H LYS 43 H LYS 43 65.931 10.014 -3.775 317 HA LYS 43 HA LYS 43 64.702 11.897 -5.448 318 1HB LYS 43 1HB LYS 43 65.712 9.149 -5.573 319 2HB LYS 43 2HB LYS 43 64.437 9.453 -6.753 320 1HG LYS 43 1HG LYS 43 66.699 9.994 -7.647 321 2HG LYS 43 2HG LYS 43 65.642 11.405 -7.599 322 1HD LYS 43 1HD LYS 43 66.810 12.402 -5.897 323 2HD LYS 43 2HD LYS 43 67.310 10.865 -5.192 324 1HE LYS 43 1HE LYS 43 68.508 10.919 -7.741 325 2HE LYS 43 2HE LYS 43 68.752 12.543 -7.067 326 1HZ LYS 43 1HZ LYS 43 69.229 10.026 -5.565 327 2HZ LYS 43 2HZ LYS 43 70.453 10.913 -6.335 328 3HZ LYS 43 3HZ LYS 43 69.585 11.605 -5.049 329 H VAL 44 H VAL 44 63.276 8.986 -3.962 330 HA VAL 44 HA VAL 44 60.675 9.375 -5.239 331 HB VAL 44 HB VAL 44 61.822 7.612 -3.062 332 1HG1 VAL 44 1HG1 VAL 44 59.017 8.254 -3.627 333 2HG1 VAL 44 2HG1 VAL 44 59.364 6.530 -3.744 334 3HG1 VAL 44 3HG1 VAL 44 59.718 7.400 -2.252 335 1HG2 VAL 44 1HG2 VAL 44 60.834 7.204 -5.897 336 2HG2 VAL 44 2HG2 VAL 44 62.465 6.949 -5.278 337 3HG2 VAL 44 3HG2 VAL 44 61.160 5.863 -4.800 338 H MET 45 H MET 45 62.187 10.225 -2.159 339 HA MET 45 HA MET 45 59.946 10.875 -0.585 340 1HB MET 45 1HB MET 45 62.600 12.325 -0.859 341 2HB MET 45 2HB MET 45 61.530 12.395 0.540 342 1HG MET 45 1HG MET 45 62.996 9.960 -0.515 343 2HG MET 45 2HG MET 45 63.254 10.775 1.028 344 1HE MET 45 1HE MET 45 61.571 8.600 -1.165 345 2HE MET 45 2HE MET 45 60.523 7.552 -0.198 346 3HE MET 45 3HE MET 45 59.888 9.044 -0.885 347 H ARG 46 H ARG 46 61.829 13.237 -2.512 348 HA ARG 46 HA ARG 46 60.086 15.424 -2.332 349 1HB ARG 46 1HB ARG 46 61.284 16.219 -4.270 350 2HB ARG 46 2HB ARG 46 62.411 15.227 -3.343 351 1HG ARG 46 1HG ARG 46 61.522 13.275 -4.845 352 2HG ARG 46 2HG ARG 46 61.001 14.575 -5.916 353 1HD ARG 46 1HD ARG 46 63.421 15.478 -5.686 354 2HD ARG 46 2HD ARG 46 63.811 13.861 -5.067 355 HE ARG 46 HE ARG 46 62.212 13.716 -7.480 356 1HH1 ARG 46 1HH1 ARG 46 65.336 14.682 -6.439 357 2HH1 ARG 46 2HH1 ARG 46 66.166 13.919 -7.755 358 1HH2 ARG 46 1HH2 ARG 46 63.292 12.524 -9.102 359 2HH2 ARG 46 2HH2 ARG 46 65.008 12.696 -9.261 360 H MET 47 H MET 47 59.715 12.489 -4.207 361 HA MET 47 HA MET 47 57.688 13.577 -6.013 362 1HB MET 47 1HB MET 47 59.097 11.035 -5.457 363 2HB MET 47 2HB MET 47 57.469 10.853 -6.110 364 1HG MET 47 1HG MET 47 58.039 11.739 -8.137 365 2HG MET 47 2HG MET 47 59.149 12.910 -7.424 366 1HE MET 47 1HE MET 47 58.324 9.411 -7.418 367 2HE MET 47 2HE MET 47 59.412 8.695 -8.616 368 3HE MET 47 3HE MET 47 59.822 8.637 -6.903 369 H LEU 48 H LEU 48 57.695 11.653 -3.018 370 HA LEU 48 HA LEU 48 54.839 11.162 -3.003 371 1HB LEU 48 1HB LEU 48 56.910 11.195 -0.781 372 2HB LEU 48 2HB LEU 48 55.326 10.423 -0.696 373 HG LEU 48 HG LEU 48 57.655 9.676 -2.474 374 1HD1 LEU 48 1HD1 LEU 48 57.485 8.794 -0.108 375 2HD1 LEU 48 2HD1 LEU 48 55.981 8.005 -0.583 376 3HD1 LEU 48 3HD1 LEU 48 57.499 7.550 -1.358 377 1HD2 LEU 48 1HD2 LEU 48 54.744 9.295 -2.850 378 2HD2 LEU 48 2HD2 LEU 48 56.049 9.232 -4.035 379 3HD2 LEU 48 3HD2 LEU 48 55.713 7.830 -3.019 380 H GLY 49 H GLY 49 56.622 13.987 -2.545 381 1HA GLY 49 1HA GLY 49 55.529 16.117 -2.144 382 2HA GLY 49 2HA GLY 49 54.293 15.270 -1.211 383 H GLN 50 H GLN 50 57.591 14.374 -0.672 384 HA GLN 50 HA GLN 50 57.718 16.098 1.771 385 1HB GLN 50 1HB GLN 50 57.455 13.174 1.497 386 2HB GLN 50 2HB GLN 50 58.754 13.676 2.579 387 1HG GLN 50 1HG GLN 50 57.304 14.724 4.060 388 2HG GLN 50 2HG GLN 50 56.080 15.008 2.822 389 1HE2 GLN 50 2HE2 GLN 50 57.428 12.537 4.996 390 2HE2 GLN 50 1HE2 GLN 50 56.133 11.449 4.838 391 H ASN 51 H ASN 51 60.081 15.372 2.814 392 HA ASN 51 HA ASN 51 62.171 14.795 0.891 393 1HB ASN 51 1HB ASN 51 63.065 17.232 1.070 394 2HB ASN 51 2HB ASN 51 61.717 16.927 -0.025 395 1HD2 ASN 51 2HD2 ASN 51 59.656 17.850 0.500 396 2HD2 ASN 51 1HD2 ASN 51 59.427 18.896 1.817 397 HA PRO 52 HA PRO 52 63.358 14.445 5.304 398 1HB PRO 52 1HB PRO 52 64.479 11.964 5.066 399 2HB PRO 52 2HB PRO 52 62.742 12.213 5.334 400 1HG PRO 52 1HG PRO 52 64.192 11.527 2.839 401 2HG PRO 52 2HG PRO 52 62.588 11.024 3.391 402 1HD PRO 52 1HD PRO 52 63.062 12.981 1.506 403 2HD PRO 52 2HD PRO 52 61.572 12.832 2.462 404 H THR 53 H THR 53 65.444 14.847 6.128 405 HA THR 53 HA THR 53 67.497 15.713 4.290 406 HB THR 53 HB THR 53 68.722 15.520 6.705 407 HG1 THR 53 HG1 THR 53 66.733 16.050 8.091 408 1HG2 THR 53 1HG2 THR 53 67.567 17.506 5.193 409 2HG2 THR 53 2HG2 THR 53 66.659 17.615 6.702 410 3HG2 THR 53 3HG2 THR 53 68.417 17.767 6.716 411 HA PRO 54 HA PRO 54 69.938 12.104 3.768 412 1HB PRO 54 1HB PRO 54 72.482 12.874 4.451 413 2HB PRO 54 2HB PRO 54 71.680 13.389 2.952 414 1HG PRO 54 1HG PRO 54 71.999 14.859 5.528 415 2HG PRO 54 2HG PRO 54 72.146 15.453 3.865 416 1HD PRO 54 1HD PRO 54 69.938 15.876 5.365 417 2HD PRO 54 2HD PRO 54 69.869 15.678 3.600 418 H GLU 55 H GLU 55 69.876 13.618 6.881 419 HA GLU 55 HA GLU 55 71.255 11.441 8.296 420 1HB GLU 55 1HB GLU 55 71.279 13.848 8.974 421 2HB GLU 55 2HB GLU 55 69.547 13.747 9.289 422 1HG GLU 55 1HG GLU 55 70.961 11.571 10.588 423 2HG GLU 55 2HG GLU 55 71.611 13.133 11.089 424 H GLU 56 H GLU 56 67.896 12.575 7.869 425 HA GLU 56 HA GLU 56 66.737 10.486 9.533 426 1HB GLU 56 1HB GLU 56 65.967 12.911 8.535 427 2HB GLU 56 2HB GLU 56 65.119 11.818 7.440 428 1HG GLU 56 1HG GLU 56 63.542 11.659 9.051 429 2HG GLU 56 2HG GLU 56 64.704 10.667 9.932 430 H LEU 57 H LEU 57 67.671 10.780 6.177 431 HA LEU 57 HA LEU 57 66.058 8.909 4.862 432 1HB LEU 57 1HB LEU 57 68.770 10.032 4.651 433 2HB LEU 57 2HB LEU 57 68.607 8.452 3.888 434 HG LEU 57 HG LEU 57 66.957 10.930 3.329 435 1HD1 LEU 57 1HD1 LEU 57 69.262 9.609 2.102 436 2HD1 LEU 57 2HD1 LEU 57 67.932 9.841 0.966 437 3HD1 LEU 57 3HD1 LEU 57 68.614 11.225 1.819 438 1HD2 LEU 57 1HD2 LEU 57 66.541 8.032 2.608 439 2HD2 LEU 57 2HD2 LEU 57 65.356 9.214 3.163 440 3HD2 LEU 57 3HD2 LEU 57 65.987 9.307 1.518 441 H GLN 58 H GLN 58 69.279 8.099 6.204 442 HA GLN 58 HA GLN 58 69.289 5.359 6.048 443 1HB GLN 58 1HB GLN 58 70.641 7.362 7.440 444 2HB GLN 58 2HB GLN 58 70.074 6.279 8.712 445 1HG GLN 58 1HG GLN 58 71.511 5.308 6.229 446 2HG GLN 58 2HG GLN 58 72.337 5.679 7.744 447 1HE2 GLN 58 2HE2 GLN 58 71.465 3.039 6.151 448 2HE2 GLN 58 1HE2 GLN 58 70.913 2.044 7.412 449 H GLU 59 H GLU 59 67.298 7.299 8.214 450 HA GLU 59 HA GLU 59 66.471 5.284 10.050 451 1HB GLU 59 1HB GLU 59 66.105 7.856 9.962 452 2HB GLU 59 2HB GLU 59 64.705 7.477 8.959 453 1HG GLU 59 1HG GLU 59 64.531 5.697 11.114 454 2HG GLU 59 2HG GLU 59 65.016 7.230 11.838 455 H MET 60 H MET 60 65.647 5.849 6.707 456 HA MET 60 HA MET 60 63.188 4.258 6.737 457 1HB MET 60 1HB MET 60 64.635 6.046 5.015 458 2HB MET 60 2HB MET 60 64.317 4.552 4.130 459 1HG MET 60 1HG MET 60 62.040 4.842 4.181 460 2HG MET 60 2HG MET 60 62.072 5.657 5.744 461 1HE MET 60 1HE MET 60 60.818 7.544 5.627 462 2HE MET 60 2HE MET 60 60.703 8.739 4.328 463 3HE MET 60 3HE MET 60 60.095 7.104 4.083 464 H ILE 61 H ILE 61 66.608 3.731 6.008 465 HA ILE 61 HA ILE 61 66.121 1.016 4.962 466 HB ILE 61 HB ILE 61 68.509 2.805 5.441 467 1HG1 ILE 61 1HG1 ILE 61 68.590 2.168 2.848 468 2HG1 ILE 61 2HG1 ILE 61 66.872 1.875 3.117 469 1HG2 ILE 61 1HG2 ILE 61 68.422 -0.108 5.183 470 2HG2 ILE 61 2HG2 ILE 61 69.400 0.653 3.928 471 3HG2 ILE 61 3HG2 ILE 61 69.770 0.938 5.628 472 1HD1 ILE 61 1HD1 ILE 61 68.116 4.414 4.129 473 2HD1 ILE 61 2HD1 ILE 61 67.674 4.278 2.427 474 3HD1 ILE 61 3HD1 ILE 61 66.441 4.101 3.675 475 H ASP 62 H ASP 62 67.082 2.560 7.967 476 HA ASP 62 HA ASP 62 68.151 0.114 9.173 477 1HB ASP 62 1HB ASP 62 68.663 2.646 9.602 478 2HB ASP 62 2HB ASP 62 67.238 2.582 10.640 479 H GLU 63 H GLU 63 65.044 1.785 9.064 480 HA GLU 63 HA GLU 63 63.728 0.643 11.285 481 1HB GLU 63 1HB GLU 63 63.126 2.259 9.133 482 2HB GLU 63 2HB GLU 63 62.157 0.822 8.801 483 1HG GLU 63 1HG GLU 63 61.366 0.957 11.223 484 2HG GLU 63 2HG GLU 63 62.101 2.559 11.275 485 H VAL 64 H VAL 64 64.743 -0.849 8.298 486 HA VAL 64 HA VAL 64 63.511 -3.417 9.219 487 HB VAL 64 HB VAL 64 63.044 -3.788 6.726 488 1HG1 VAL 64 1HG1 VAL 64 61.601 -2.420 8.740 489 2HG1 VAL 64 2HG1 VAL 64 61.342 -1.518 7.245 490 3HG1 VAL 64 3HG1 VAL 64 60.945 -3.235 7.319 491 1HG2 VAL 64 1HG2 VAL 64 64.614 -1.665 6.300 492 2HG2 VAL 64 2HG2 VAL 64 63.279 -2.051 5.215 493 3HG2 VAL 64 3HG2 VAL 64 63.079 -0.810 6.452 494 H ASP 65 H ASP 65 66.205 -2.703 9.649 495 HA ASP 65 HA ASP 65 67.622 -4.426 7.639 496 1HB ASP 65 1HB ASP 65 67.972 -1.715 8.285 497 2HB ASP 65 2HB ASP 65 69.298 -2.547 9.096 498 H GLU 66 H GLU 66 68.278 -6.302 8.606 499 HA GLU 66 HA GLU 66 68.901 -6.247 11.541 500 1HB GLU 66 1HB GLU 66 67.962 -8.481 9.710 501 2HB GLU 66 2HB GLU 66 68.256 -8.644 11.442 502 1HG GLU 66 1HG GLU 66 66.596 -6.470 11.388 503 2HG GLU 66 2HG GLU 66 65.977 -7.408 10.028 504 H ASP 67 H ASP 67 70.609 -5.842 8.940 505 HA ASP 67 HA ASP 67 72.736 -7.817 9.704 506 1HB ASP 67 1HB ASP 67 73.299 -7.649 7.190 507 2HB ASP 67 2HB ASP 67 71.838 -8.541 7.619 508 H GLY 68 H GLY 68 71.924 -4.576 8.544 509 1HA GLY 68 1HA GLY 68 73.146 -2.588 9.067 510 2HA GLY 68 2HA GLY 68 74.497 -3.590 9.600 511 H SER 69 H SER 69 73.001 -4.314 6.554 512 HA SER 69 HA SER 69 75.485 -3.983 5.113 513 1HB SER 69 1HB SER 69 73.945 -4.492 3.170 514 2HB SER 69 2HB SER 69 73.845 -5.651 4.494 515 HG SER 69 HG SER 69 71.818 -5.147 4.597 516 H GLY 70 H GLY 70 72.741 -1.899 5.744 517 1HA GLY 70 1HA GLY 70 72.680 0.459 5.416 518 2HA GLY 70 2HA GLY 70 74.146 0.334 4.442 519 H THR 71 H THR 71 72.114 -2.040 3.351 520 HA THR 71 HA THR 71 70.861 -0.219 1.321 521 HB THR 71 HB THR 71 71.373 -2.091 -0.295 522 HG1 THR 71 HG1 THR 71 72.962 -3.016 1.863 523 1HG2 THR 71 1HG2 THR 71 73.000 -0.064 0.642 524 2HG2 THR 71 2HG2 THR 71 74.040 -1.483 0.759 525 3HG2 THR 71 3HG2 THR 71 73.317 -1.046 -0.788 526 H VAL 72 H VAL 72 68.886 -1.130 0.342 527 HA VAL 72 HA VAL 72 67.550 -3.160 2.107 528 HB VAL 72 HB VAL 72 66.604 -0.609 0.788 529 1HG1 VAL 72 1HG1 VAL 72 65.051 -3.028 1.634 530 2HG1 VAL 72 2HG1 VAL 72 64.354 -1.435 1.930 531 3HG1 VAL 72 3HG1 VAL 72 64.760 -1.927 0.286 532 1HG2 VAL 72 1HG2 VAL 72 67.659 -0.722 3.136 533 2HG2 VAL 72 2HG2 VAL 72 66.087 0.068 3.009 534 3HG2 VAL 72 3HG2 VAL 72 66.197 -1.582 3.620 535 H ASP 73 H ASP 73 66.294 -4.742 1.044 536 HA ASP 73 HA ASP 73 66.344 -4.703 -1.954 537 1HB ASP 73 1HB ASP 73 67.644 -6.450 -0.060 538 2HB ASP 73 2HB ASP 73 66.487 -7.373 -1.019 539 H PHE 74 H PHE 74 64.884 -6.902 -2.512 540 HA PHE 74 HA PHE 74 62.183 -6.171 -1.952 541 1HB PHE 74 1HB PHE 74 63.473 -7.772 -3.703 542 2HB PHE 74 2HB PHE 74 62.883 -8.999 -2.582 543 HD1 PHE 74 HD1 PHE 74 61.416 -5.751 -3.756 544 HD2 PHE 74 HD2 PHE 74 60.994 -10.018 -3.506 545 HE1 PHE 74 HE1 PHE 74 59.155 -5.587 -4.764 546 HE2 PHE 74 HE2 PHE 74 58.734 -9.854 -4.514 547 HZ PHE 74 HZ PHE 74 57.815 -7.638 -5.142 548 H ASP 75 H ASP 75 64.492 -7.774 0.000 549 HA ASP 75 HA ASP 75 62.547 -9.356 1.550 550 1HB ASP 75 1HB ASP 75 65.237 -9.496 0.988 551 2HB ASP 75 2HB ASP 75 65.247 -8.841 2.625 552 H GLU 76 H GLU 76 64.920 -6.847 2.533 553 HA GLU 76 HA GLU 76 63.622 -6.199 4.992 554 1HB GLU 76 1HB GLU 76 65.459 -4.633 3.154 555 2HB GLU 76 2HB GLU 76 65.090 -4.165 4.814 556 1HG GLU 76 1HG GLU 76 65.936 -6.410 5.564 557 2HG GLU 76 2HG GLU 76 66.453 -6.715 3.906 558 H PHE 77 H PHE 77 63.226 -4.922 1.707 559 HA PHE 77 HA PHE 77 61.653 -2.621 2.333 560 1HB PHE 77 1HB PHE 77 62.720 -3.143 0.155 561 2HB PHE 77 2HB PHE 77 61.592 -4.480 -0.068 562 HD1 PHE 77 HD1 PHE 77 59.031 -3.842 0.193 563 HD2 PHE 77 HD2 PHE 77 62.168 -1.055 -0.730 564 HE1 PHE 77 HE1 PHE 77 57.360 -2.274 -0.756 565 HE2 PHE 77 HE2 PHE 77 60.495 0.512 -1.680 566 HZ PHE 77 HZ PHE 77 58.091 -0.098 -1.692 567 H LEU 78 H LEU 78 60.489 -5.797 1.116 568 HA LEU 78 HA LEU 78 57.752 -5.490 1.412 569 1HB LEU 78 1HB LEU 78 59.725 -7.688 1.585 570 2HB LEU 78 2HB LEU 78 58.162 -8.044 2.320 571 HG LEU 78 HG LEU 78 58.493 -6.930 -0.478 572 1HD1 LEU 78 1HD1 LEU 78 59.100 -9.519 0.412 573 2HD1 LEU 78 2HD1 LEU 78 57.482 -9.648 -0.277 574 3HD1 LEU 78 3HD1 LEU 78 58.809 -9.024 -1.255 575 1HD2 LEU 78 1HD2 LEU 78 56.158 -8.051 1.099 576 2HD2 LEU 78 2HD2 LEU 78 56.326 -6.417 0.454 577 3HD2 LEU 78 3HD2 LEU 78 56.109 -7.781 -0.643 578 H VAL 79 H VAL 79 60.087 -6.295 3.987 579 HA VAL 79 HA VAL 79 58.127 -6.551 6.092 580 HB VAL 79 HB VAL 79 61.105 -5.986 6.000 581 1HG1 VAL 79 1HG1 VAL 79 59.195 -6.161 8.281 582 2HG1 VAL 79 2HG1 VAL 79 60.734 -7.002 8.463 583 3HG1 VAL 79 3HG1 VAL 79 60.710 -5.267 8.149 584 1HG2 VAL 79 1HG2 VAL 79 59.367 -8.387 5.993 585 2HG2 VAL 79 2HG2 VAL 79 60.997 -8.174 5.351 586 3HG2 VAL 79 3HG2 VAL 79 60.760 -8.466 7.074 587 H MET 80 H MET 80 59.932 -3.845 4.723 588 HA MET 80 HA MET 80 59.367 -1.950 6.837 589 1HB MET 80 1HB MET 80 61.203 -1.546 5.380 590 2HB MET 80 2HB MET 80 60.221 -1.817 3.940 591 1HG MET 80 1HG MET 80 59.349 0.367 5.767 592 2HG MET 80 2HG MET 80 60.815 0.652 4.828 593 1HE MET 80 1HE MET 80 61.058 1.376 3.029 594 2HE MET 80 2HE MET 80 60.500 0.454 1.637 595 3HE MET 80 3HE MET 80 59.843 2.060 1.942 596 H MET 81 H MET 81 57.463 -3.295 4.304 597 HA MET 81 HA MET 81 55.605 -0.995 4.155 598 1HB MET 81 1HB MET 81 56.061 -3.612 2.776 599 2HB MET 81 2HB MET 81 54.446 -2.909 2.689 600 1HG MET 81 1HG MET 81 56.938 -1.328 2.032 601 2HG MET 81 2HG MET 81 56.047 -2.241 0.815 602 1HE MET 81 1HE MET 81 56.687 0.184 0.254 603 2HE MET 81 2HE MET 81 55.255 1.074 -0.255 604 3HE MET 81 3HE MET 81 56.129 1.579 1.189 605 H VAL 82 H VAL 82 55.962 -4.002 5.860 606 HA VAL 82 HA VAL 82 53.122 -4.293 6.534 607 HB VAL 82 HB VAL 82 55.592 -5.559 7.760 608 1HG1 VAL 82 1HG1 VAL 82 52.669 -5.973 7.950 609 2HG1 VAL 82 2HG1 VAL 82 53.617 -7.442 7.720 610 3HG1 VAL 82 3HG1 VAL 82 53.943 -6.390 9.097 611 1HG2 VAL 82 1HG2 VAL 82 55.295 -5.669 5.168 612 2HG2 VAL 82 2HG2 VAL 82 55.590 -7.171 6.044 613 3HG2 VAL 82 3HG2 VAL 82 53.955 -6.756 5.530 614 H ARG 83 H ARG 83 56.086 -3.188 8.192 615 HA ARG 83 HA ARG 83 55.145 -2.774 10.790 616 1HB ARG 83 1HB ARG 83 56.874 -0.875 9.171 617 2HB ARG 83 2HB ARG 83 56.923 -1.125 10.917 618 1HG ARG 83 1HG ARG 83 57.222 -3.686 9.782 619 2HG ARG 83 2HG ARG 83 58.260 -2.623 8.833 620 1HD ARG 83 1HD ARG 83 59.700 -2.282 10.574 621 2HD ARG 83 2HD ARG 83 58.384 -2.174 11.758 622 HE ARG 83 HE ARG 83 58.504 -4.853 10.783 623 1HH1 ARG 83 1HH1 ARG 83 59.140 -2.990 13.456 624 2HH1 ARG 83 2HH1 ARG 83 60.375 -4.011 14.115 625 1HH2 ARG 83 1HH2 ARG 83 60.593 -6.016 11.295 626 2HH2 ARG 83 2HH2 ARG 83 61.200 -5.721 12.890 627 H CYS 84 H CYS 84 54.562 -0.808 7.897 628 HA CYS 84 HA CYS 84 53.162 1.300 9.388 629 1HB CYS 84 1HB CYS 84 54.515 1.668 7.325 630 2HB CYS 84 2HB CYS 84 53.365 0.681 6.421 631 HG CYS 84 HG CYS 84 51.589 2.628 7.482 632 H MET 85 H MET 85 52.362 -1.681 7.754 633 HA MET 85 HA MET 85 49.504 -1.081 7.473 634 1HB MET 85 1HB MET 85 51.397 -3.354 6.990 635 2HB MET 85 2HB MET 85 49.672 -3.713 7.076 636 1HG MET 85 1HG MET 85 49.834 -1.419 5.478 637 2HG MET 85 2HG MET 85 51.173 -2.433 4.940 638 1HE MET 85 1HE MET 85 51.273 -4.235 4.031 639 2HE MET 85 2HE MET 85 50.091 -5.523 3.811 640 3HE MET 85 3HE MET 85 50.221 -4.241 2.608 641 H LYS 86 H LYS 86 47.834 -2.227 8.694 642 HA LYS 86 HA LYS 86 48.526 -3.831 11.031 643 1HB LYS 86 1HB LYS 86 47.956 -2.170 12.703 644 2HB LYS 86 2HB LYS 86 49.160 -1.456 11.630 645 1HG LYS 86 1HG LYS 86 47.273 -0.433 10.314 646 2HG LYS 86 2HG LYS 86 46.166 -1.006 11.561 647 1HD LYS 86 1HD LYS 86 48.262 0.278 12.940 648 2HD LYS 86 2HD LYS 86 47.867 1.333 11.583 649 1HE LYS 86 1HE LYS 86 46.266 2.078 13.084 650 2HE LYS 86 2HE LYS 86 45.360 0.717 12.393 651 1HZ LYS 86 1HZ LYS 86 47.261 0.107 14.520 652 2HZ LYS 86 2HZ LYS 86 45.837 0.909 14.984 653 3HZ LYS 86 3HZ LYS 86 45.745 -0.588 14.189 654 H ASP 87 H ASP 87 46.696 -4.936 11.750 655 HA ASP 87 HA ASP 87 44.462 -5.708 11.735 656 1HB ASP 87 1HB ASP 87 44.258 -3.394 12.714 657 2HB ASP 87 2HB ASP 87 43.919 -2.792 11.092 658 H ASP 88 H ASP 88 45.516 -6.536 9.484 659 HA ASP 88 HA ASP 88 43.737 -5.562 7.269 660 1HB ASP 88 1HB ASP 88 46.465 -6.883 7.109 661 2HB ASP 88 2HB ASP 88 45.575 -6.135 5.781 662 H SER 89 H SER 89 42.164 -7.203 8.184 663 HA SER 89 HA SER 89 42.923 -10.045 7.769 664 1HB SER 89 1HB SER 89 41.730 -9.842 9.743 665 2HB SER 89 2HB SER 89 40.796 -8.470 9.154 666 HG SER 89 HG SER 89 40.169 -11.078 9.153 667 1H ARG 1 1H ARG 1 55.890 10.807 6.656 668 2H ARG 1 2H ARG 1 56.603 10.591 8.180 669 3H ARG 1 3H ARG 1 57.578 10.899 6.824 670 HA ARG 1 HA ARG 1 57.856 8.671 6.788 671 1HB ARG 1 1HB ARG 1 55.645 9.013 8.695 672 2HB ARG 1 2HB ARG 1 55.590 7.473 7.838 673 1HG ARG 1 1HG ARG 1 57.739 6.839 8.603 674 2HG ARG 1 2HG ARG 1 58.145 8.487 9.083 675 1HD ARG 1 1HD ARG 1 55.916 8.064 10.605 676 2HD ARG 1 2HD ARG 1 56.610 6.431 10.559 677 HE ARG 1 HE ARG 1 58.764 7.447 11.339 678 1HH1 ARG 1 1HH1 ARG 1 56.496 9.901 10.931 679 2HH1 ARG 1 2HH1 ARG 1 56.789 10.660 12.460 680 1HH2 ARG 1 1HH2 ARG 1 58.872 8.139 13.611 681 2HH2 ARG 1 2HH2 ARG 1 58.135 9.663 13.977 682 H ILE 2 H ILE 2 57.042 6.900 5.409 683 HA ILE 2 HA ILE 2 55.207 7.907 3.306 684 HB ILE 2 HB ILE 2 56.949 5.427 3.510 685 1HG1 ILE 2 1HG1 ILE 2 57.431 8.124 2.201 686 2HG1 ILE 2 2HG1 ILE 2 58.271 7.494 3.618 687 1HG2 ILE 2 1HG2 ILE 2 54.905 5.685 1.819 688 2HG2 ILE 2 2HG2 ILE 2 56.070 6.668 0.933 689 3HG2 ILE 2 3HG2 ILE 2 56.436 4.982 1.297 690 1HD1 ILE 2 1HD1 ILE 2 59.074 5.573 2.232 691 2HD1 ILE 2 2HD1 ILE 2 58.331 6.326 0.821 692 3HD1 ILE 2 3HD1 ILE 2 59.663 7.131 1.652 693 H SER 3 H SER 3 53.075 7.334 3.420 694 HA SER 3 HA SER 3 52.209 5.141 5.192 695 1HB SER 3 1HB SER 3 49.983 6.119 3.938 696 2HB SER 3 2HB SER 3 50.689 6.835 5.383 697 HG SER 3 HG SER 3 51.087 7.553 2.669 698 H ALA 4 H ALA 4 50.582 5.801 2.160 699 HA ALA 4 HA ALA 4 51.655 3.642 0.602 700 1HB ALA 4 1HB ALA 4 50.359 2.728 2.795 701 2HB ALA 4 2HB ALA 4 48.998 2.845 1.681 702 3HB ALA 4 3HB ALA 4 50.387 1.841 1.270 703 H ASP 5 H ASP 5 48.791 5.564 1.443 704 HA ASP 5 HA ASP 5 47.553 5.296 -1.186 705 1HB ASP 5 1HB ASP 5 47.095 6.634 1.413 706 2HB ASP 5 2HB ASP 5 46.422 7.480 0.019 707 H ALA 6 H ALA 6 49.419 7.842 0.495 708 HA ALA 6 HA ALA 6 49.314 9.765 -1.640 709 1HB ALA 6 1HB ALA 6 50.133 9.679 0.963 710 2HB ALA 6 2HB ALA 6 51.688 9.676 0.132 711 3HB ALA 6 3HB ALA 6 50.543 10.988 -0.144 712 H MET 7 H MET 7 51.633 7.190 -0.810 713 HA MET 7 HA MET 7 53.654 7.799 -2.718 714 1HB MET 7 1HB MET 7 53.897 6.213 -0.868 715 2HB MET 7 2HB MET 7 52.665 5.167 -1.574 716 1HG MET 7 1HG MET 7 54.270 4.132 -2.758 717 2HG MET 7 2HG MET 7 54.575 5.645 -3.610 718 1HE MET 7 1HE MET 7 56.420 3.915 -3.745 719 2HE MET 7 2HE MET 7 57.944 4.666 -3.251 720 3HE MET 7 3HE MET 7 57.304 3.289 -2.357 721 H MET 8 H MET 8 50.794 5.661 -3.002 722 HA MET 8 HA MET 8 51.250 4.770 -5.665 723 1HB MET 8 1HB MET 8 49.038 4.964 -3.711 724 2HB MET 8 2HB MET 8 48.525 4.858 -5.395 725 1HG MET 8 1HG MET 8 48.703 2.602 -4.673 726 2HG MET 8 2HG MET 8 50.173 2.897 -5.602 727 1HE MET 8 1HE MET 8 52.158 3.260 -5.025 728 2HE MET 8 2HE MET 8 52.533 4.165 -3.551 729 3HE MET 8 3HE MET 8 52.971 2.463 -3.680 730 H GLN 9 H GLN 9 49.847 7.768 -4.425 731 HA GLN 9 HA GLN 9 48.911 8.634 -7.079 732 1HB GLN 9 1HB GLN 9 47.711 9.174 -4.998 733 2HB GLN 9 2HB GLN 9 49.136 10.013 -4.385 734 1HG GLN 9 1HG GLN 9 48.713 11.868 -5.614 735 2HG GLN 9 2HG GLN 9 48.309 10.926 -7.050 736 1HE2 GLN 9 2HE2 GLN 9 46.972 12.608 -4.298 737 2HE2 GLN 9 1HE2 GLN 9 45.341 12.285 -4.640 738 H ALA 10 H ALA 10 51.792 8.931 -5.135 739 HA ALA 10 HA ALA 10 52.794 11.313 -6.534 740 1HB ALA 10 1HB ALA 10 54.038 9.305 -4.626 741 2HB ALA 10 2HB ALA 10 54.806 10.809 -5.138 742 3HB ALA 10 3HB ALA 10 53.322 10.857 -4.186 743 H LEU 11 H LEU 11 53.876 7.893 -6.328 744 HA LEU 11 HA LEU 11 54.822 8.125 -9.154 745 1HB LEU 11 1HB LEU 11 56.751 6.563 -8.034 746 2HB LEU 11 2HB LEU 11 56.898 8.306 -8.207 747 HG LEU 11 HG LEU 11 56.035 8.622 -5.919 748 1HD1 LEU 11 1HD1 LEU 11 55.121 5.955 -6.260 749 2HD1 LEU 11 2HD1 LEU 11 56.300 5.926 -4.952 750 3HD1 LEU 11 3HD1 LEU 11 54.903 6.996 -4.856 751 1HD2 LEU 11 1HD2 LEU 11 58.504 7.313 -6.642 752 2HD2 LEU 11 2HD2 LEU 11 58.217 8.500 -5.370 753 3HD2 LEU 11 3HD2 LEU 11 57.999 6.782 -5.039 754 H LEU 12 H LEU 12 55.618 5.744 -9.791 755 HA LEU 12 HA LEU 12 54.482 3.763 -10.579 756 1HB LEU 12 1HB LEU 12 55.036 2.070 -8.881 757 2HB LEU 12 2HB LEU 12 56.318 3.274 -9.000 758 HG LEU 12 HG LEU 12 54.335 4.129 -7.080 759 1HD1 LEU 12 1HD1 LEU 12 55.335 1.306 -6.907 760 2HD1 LEU 12 2HD1 LEU 12 55.125 2.238 -5.424 761 3HD1 LEU 12 3HD1 LEU 12 53.748 1.953 -6.490 762 1HD2 LEU 12 1HD2 LEU 12 57.275 3.424 -7.032 763 2HD2 LEU 12 2HD2 LEU 12 56.547 5.027 -7.031 764 3HD2 LEU 12 3HD2 LEU 12 56.426 4.005 -5.602 765 H GLY 13 H GLY 13 52.238 4.495 -10.854 766 1HA GLY 13 1HA GLY 13 50.160 3.091 -10.093 767 2HA GLY 13 2HA GLY 13 50.446 3.896 -8.550 768 H ALA 14 H ALA 14 49.025 4.206 -11.658 769 HA ALA 14 HA ALA 14 48.893 7.055 -11.917 770 1HB ALA 14 1HB ALA 14 47.084 4.787 -12.808 771 2HB ALA 14 2HB ALA 14 46.927 6.448 -13.383 772 3HB ALA 14 3HB ALA 14 48.389 5.527 -13.735 773 H ARG 15 H ARG 15 45.857 5.345 -11.497 774 HA ARG 15 HA ARG 15 45.314 6.826 -8.961 775 1HB ARG 15 1HB ARG 15 43.962 7.053 -11.639 776 2HB ARG 15 2HB ARG 15 43.025 7.326 -10.169 777 1HG ARG 15 1HG ARG 15 45.273 8.794 -9.642 778 2HG ARG 15 2HG ARG 15 45.136 8.992 -11.389 779 1HD ARG 15 1HD ARG 15 42.583 9.443 -10.829 780 2HD ARG 15 2HD ARG 15 43.239 9.870 -9.237 781 HE ARG 15 HE ARG 15 44.941 11.247 -10.772 782 1HH1 ARG 15 1HH1 ARG 15 41.538 11.151 -10.503 783 2HH1 ARG 15 2HH1 ARG 15 41.267 12.486 -11.574 784 1HH2 ARG 15 1HH2 ARG 15 44.610 12.820 -12.434 785 2HH2 ARG 15 2HH2 ARG 15 43.006 13.429 -12.667 786 H ALA 16 H ALA 16 43.306 5.978 -7.894 787 HA ALA 16 HA ALA 16 42.261 3.393 -8.868 788 1HB ALA 16 1HB ALA 16 44.268 3.764 -6.696 789 2HB ALA 16 2HB ALA 16 42.992 2.583 -6.403 790 3HB ALA 16 3HB ALA 16 44.053 2.408 -7.801 791 H LYS 17 H LYS 17 40.271 4.698 -8.790 792 HA LYS 17 HA LYS 17 39.345 5.750 -6.210 793 1HB LYS 17 1HB LYS 17 38.891 6.255 -8.882 794 2HB LYS 17 2HB LYS 17 37.432 5.377 -8.422 795 1HG LYS 17 1HG LYS 17 37.950 7.178 -6.310 796 2HG LYS 17 2HG LYS 17 38.179 8.096 -7.798 797 1HD LYS 17 1HD LYS 17 35.974 8.024 -8.319 798 2HD LYS 17 2HD LYS 17 35.830 6.328 -7.852 799 1HE LYS 17 1HE LYS 17 34.496 7.452 -6.247 800 2HE LYS 17 2HE LYS 17 36.043 7.242 -5.403 801 1HZ LYS 17 1HZ LYS 17 35.264 9.628 -6.996 802 2HZ LYS 17 2HZ LYS 17 35.284 9.550 -5.299 803 3HZ LYS 17 3HZ LYS 17 36.733 9.419 -6.169 Start of MODEL 19 1 1H MET 1 1H MET 1 59.882 -7.281 19.945 2 2H MET 1 2H MET 1 61.529 -7.685 19.997 3 3H MET 1 3H MET 1 61.001 -6.393 19.026 4 HA MET 1 HA MET 1 61.248 -8.040 17.445 5 1HB MET 1 1HB MET 1 60.486 -9.737 19.815 6 2HB MET 1 2HB MET 1 60.431 -10.415 18.187 7 1HG MET 1 1HG MET 1 62.861 -9.233 18.100 8 2HG MET 1 2HG MET 1 62.775 -9.608 19.820 9 1HE MET 1 1HE MET 1 62.276 -10.904 16.245 10 2HE MET 1 2HE MET 1 64.001 -10.791 16.586 11 3HE MET 1 3HE MET 1 63.273 -12.364 16.268 12 H ASP 2 H ASP 2 58.436 -9.084 19.403 13 HA ASP 2 HA ASP 2 56.123 -9.002 18.911 14 1HB ASP 2 1HB ASP 2 57.327 -6.597 18.083 15 2HB ASP 2 2HB ASP 2 56.301 -7.086 16.734 16 H ASP 3 H ASP 3 55.221 -10.675 17.784 17 HA ASP 3 HA ASP 3 56.317 -11.386 15.109 18 1HB ASP 3 1HB ASP 3 54.923 -12.712 17.370 19 2HB ASP 3 2HB ASP 3 54.516 -13.319 15.763 20 H ILE 4 H ILE 4 55.087 -9.256 14.423 21 HA ILE 4 HA ILE 4 52.254 -9.974 13.731 22 HB ILE 4 HB ILE 4 52.253 -8.164 15.287 23 1HG1 ILE 4 1HG1 ILE 4 52.300 -6.508 12.808 24 2HG1 ILE 4 2HG1 ILE 4 51.175 -7.866 12.840 25 1HG2 ILE 4 1HG2 ILE 4 54.603 -7.189 13.661 26 2HG2 ILE 4 2HG2 ILE 4 53.717 -6.104 14.734 27 3HG2 ILE 4 3HG2 ILE 4 54.531 -7.525 15.391 28 1HD1 ILE 4 1HD1 ILE 4 50.721 -6.830 15.302 29 2HD1 ILE 4 2HD1 ILE 4 51.162 -5.361 14.432 30 3HD1 ILE 4 3HD1 ILE 4 49.811 -6.347 13.871 31 H TYR 5 H TYR 5 55.332 -9.544 12.489 32 HA TYR 5 HA TYR 5 54.326 -8.495 9.870 33 1HB TYR 5 1HB TYR 5 57.147 -8.761 10.961 34 2HB TYR 5 2HB TYR 5 56.665 -7.886 9.508 35 HD1 TYR 5 HD1 TYR 5 54.673 -6.122 9.934 36 HD2 TYR 5 HD2 TYR 5 57.442 -7.518 12.908 37 HE1 TYR 5 HE1 TYR 5 54.229 -4.100 11.298 38 HE2 TYR 5 HE2 TYR 5 56.997 -5.496 14.271 39 HH TYR 5 HH TYR 5 55.696 -2.783 13.163 40 H LYS 6 H LYS 6 56.833 -10.785 11.028 41 HA LYS 6 HA LYS 6 57.319 -12.282 8.773 42 1HB LYS 6 1HB LYS 6 56.919 -13.071 11.665 43 2HB LYS 6 2HB LYS 6 57.515 -14.216 10.463 44 1HG LYS 6 1HG LYS 6 58.786 -11.519 11.008 45 2HG LYS 6 2HG LYS 6 59.348 -13.035 11.711 46 1HD LYS 6 1HD LYS 6 60.650 -13.206 9.864 47 2HD LYS 6 2HD LYS 6 59.164 -13.661 9.031 48 1HE LYS 6 1HE LYS 6 59.828 -11.875 7.694 49 2HE LYS 6 2HE LYS 6 58.877 -10.990 8.905 50 1HZ LYS 6 1HZ LYS 6 60.935 -10.808 10.242 51 2HZ LYS 6 2HZ LYS 6 61.807 -11.482 8.954 52 3HZ LYS 6 3HZ LYS 6 61.032 -9.983 8.759 53 H ALA 7 H ALA 7 54.345 -12.278 10.658 54 HA ALA 7 HA ALA 7 53.242 -14.699 9.474 55 1HB ALA 7 1HB ALA 7 52.627 -12.747 11.491 56 2HB ALA 7 2HB ALA 7 51.221 -12.939 10.443 57 3HB ALA 7 3HB ALA 7 51.910 -14.341 11.260 58 H ALA 8 H ALA 8 52.669 -11.199 8.966 59 HA ALA 8 HA ALA 8 50.760 -11.474 6.855 60 1HB ALA 8 1HB ALA 8 51.585 -9.463 8.336 61 2HB ALA 8 2HB ALA 8 52.754 -9.228 7.037 62 3HB ALA 8 3HB ALA 8 51.026 -9.149 6.694 63 H VAL 9 H VAL 9 54.305 -11.432 6.858 64 HA VAL 9 HA VAL 9 54.721 -11.126 4.044 65 HB VAL 9 HB VAL 9 56.378 -12.725 6.016 66 1HG1 VAL 9 1HG1 VAL 9 56.999 -11.112 3.527 67 2HG1 VAL 9 2HG1 VAL 9 58.237 -11.690 4.641 68 3HG1 VAL 9 3HG1 VAL 9 57.232 -12.845 3.766 69 1HG2 VAL 9 1HG2 VAL 9 55.743 -9.824 5.876 70 2HG2 VAL 9 2HG2 VAL 9 56.229 -10.804 7.259 71 3HG2 VAL 9 3HG2 VAL 9 57.441 -10.237 6.111 72 H GLU 10 H GLU 10 54.377 -14.060 6.066 73 HA GLU 10 HA GLU 10 54.695 -15.912 3.868 74 1HB GLU 10 1HB GLU 10 55.154 -16.715 6.036 75 2HB GLU 10 2HB GLU 10 53.698 -15.984 6.713 76 1HG GLU 10 1HG GLU 10 52.297 -17.636 5.808 77 2HG GLU 10 2HG GLU 10 53.495 -18.130 4.612 78 H GLN 11 H GLN 11 52.154 -13.828 4.760 79 HA GLN 11 HA GLN 11 50.058 -15.577 3.558 80 1HB GLN 11 1HB GLN 11 50.242 -13.425 5.544 81 2HB GLN 11 2HB GLN 11 48.905 -13.202 4.415 82 1HG GLN 11 1HG GLN 11 48.183 -14.532 6.357 83 2HG GLN 11 2HG GLN 11 48.130 -15.502 4.885 84 1HE2 GLN 11 2HE2 GLN 11 50.223 -14.824 7.728 85 2HE2 GLN 11 1HE2 GLN 11 50.980 -16.343 7.723 86 H LEU 12 H LEU 12 52.320 -13.625 2.340 87 HA LEU 12 HA LEU 12 50.895 -11.656 0.804 88 1HB LEU 12 1HB LEU 12 53.566 -13.025 0.749 89 2HB LEU 12 2HB LEU 12 53.101 -12.017 -0.622 90 HG LEU 12 HG LEU 12 53.144 -11.131 2.279 91 1HD1 LEU 12 1HD1 LEU 12 55.384 -11.476 1.155 92 2HD1 LEU 12 2HD1 LEU 12 54.905 -10.259 -0.027 93 3HD1 LEU 12 3HD1 LEU 12 55.075 -9.818 1.672 94 1HD2 LEU 12 1HD2 LEU 12 51.880 -10.070 -0.119 95 2HD2 LEU 12 2HD2 LEU 12 51.729 -9.527 1.552 96 3HD2 LEU 12 3HD2 LEU 12 53.049 -8.929 0.546 97 H THR 13 H THR 13 50.961 -11.818 -1.720 98 HA THR 13 HA THR 13 50.378 -14.580 -2.684 99 HB THR 13 HB THR 13 48.343 -13.266 -3.833 100 HG1 THR 13 HG1 THR 13 48.660 -11.969 -1.338 101 1HG2 THR 13 1HG2 THR 13 48.696 -14.942 -1.530 102 2HG2 THR 13 2HG2 THR 13 47.412 -13.778 -1.201 103 3HG2 THR 13 3HG2 THR 13 47.305 -14.835 -2.609 104 H GLU 14 H GLU 14 50.190 -14.576 -5.134 105 HA GLU 14 HA GLU 14 52.404 -13.332 -6.387 106 1HB GLU 14 1HB GLU 14 51.164 -15.329 -7.179 107 2HB GLU 14 2HB GLU 14 49.781 -14.305 -7.567 108 1HG GLU 14 1HG GLU 14 50.749 -14.204 -9.630 109 2HG GLU 14 2HG GLU 14 51.773 -12.982 -8.877 110 H GLU 15 H GLU 15 49.018 -12.281 -6.139 111 HA GLU 15 HA GLU 15 49.241 -10.045 -7.949 112 1HB GLU 15 1HB GLU 15 47.106 -11.011 -7.388 113 2HB GLU 15 2HB GLU 15 47.390 -10.777 -5.663 114 1HG GLU 15 1HG GLU 15 47.499 -8.287 -6.121 115 2HG GLU 15 2HG GLU 15 46.936 -8.637 -7.755 116 H GLN 16 H GLN 16 48.934 -10.017 -4.370 117 HA GLN 16 HA GLN 16 49.554 -7.336 -3.893 118 1HB GLN 16 1HB GLN 16 48.845 -8.734 -2.106 119 2HB GLN 16 2HB GLN 16 50.131 -9.904 -2.408 120 1HG GLN 16 1HG GLN 16 50.602 -8.491 -0.414 121 2HG GLN 16 2HG GLN 16 51.817 -8.284 -1.678 122 1HE2 GLN 16 2HE2 GLN 16 49.653 -6.584 0.342 123 2HE2 GLN 16 1HE2 GLN 16 49.698 -5.091 -0.466 124 H LYS 17 H LYS 17 51.893 -10.050 -4.017 125 HA LYS 17 HA LYS 17 54.289 -8.722 -3.576 126 1HB LYS 17 1HB LYS 17 53.327 -11.087 -5.013 127 2HB LYS 17 2HB LYS 17 54.832 -10.454 -5.682 128 1HG LYS 17 1HG LYS 17 55.967 -11.361 -3.968 129 2HG LYS 17 2HG LYS 17 55.049 -10.361 -2.841 130 1HD LYS 17 1HD LYS 17 53.317 -12.031 -2.656 131 2HD LYS 17 2HD LYS 17 54.032 -12.988 -3.955 132 1HE LYS 17 1HE LYS 17 55.924 -12.409 -1.777 133 2HE LYS 17 2HE LYS 17 54.533 -13.390 -1.271 134 1HZ LYS 17 1HZ LYS 17 55.703 -14.013 -3.865 135 2HZ LYS 17 2HZ LYS 17 56.632 -14.434 -2.505 136 3HZ LYS 17 3HZ LYS 17 55.064 -15.055 -2.685 137 H ASN 18 H ASN 18 52.534 -8.929 -6.687 138 HA ASN 18 HA ASN 18 54.451 -7.372 -8.181 139 1HB ASN 18 1HB ASN 18 51.593 -8.268 -8.491 140 2HB ASN 18 2HB ASN 18 52.300 -7.162 -9.670 141 1HD2 ASN 18 2HD2 ASN 18 51.555 -10.165 -9.819 142 2HD2 ASN 18 1HD2 ASN 18 52.961 -10.896 -10.423 143 H GLU 19 H GLU 19 52.332 -6.474 -5.718 144 HA GLU 19 HA GLU 19 51.597 -3.833 -6.780 145 1HB GLU 19 1HB GLU 19 50.579 -5.576 -4.932 146 2HB GLU 19 2HB GLU 19 51.401 -4.417 -3.886 147 1HG GLU 19 1HG GLU 19 50.219 -2.565 -5.069 148 2HG GLU 19 2HG GLU 19 49.333 -3.767 -6.007 149 H PHE 20 H PHE 20 53.528 -4.899 -3.936 150 HA PHE 20 HA PHE 20 54.696 -2.309 -3.508 151 1HB PHE 20 1HB PHE 20 55.827 -3.404 -1.773 152 2HB PHE 20 2HB PHE 20 54.425 -4.443 -2.002 153 HD1 PHE 20 HD1 PHE 20 54.637 -6.607 -3.182 154 HD2 PHE 20 HD2 PHE 20 58.053 -4.128 -2.383 155 HE1 PHE 20 HE1 PHE 20 56.139 -8.524 -3.651 156 HE2 PHE 20 HE2 PHE 20 59.554 -6.046 -2.850 157 HZ PHE 20 HZ PHE 20 58.595 -8.244 -3.481 158 H LYS 21 H LYS 21 55.755 -5.158 -5.364 159 HA LYS 21 HA LYS 21 58.396 -4.633 -5.967 160 1HB LYS 21 1HB LYS 21 56.125 -5.953 -7.154 161 2HB LYS 21 2HB LYS 21 57.071 -5.182 -8.427 162 1HG LYS 21 1HG LYS 21 58.949 -6.335 -6.677 163 2HG LYS 21 2HG LYS 21 57.690 -7.550 -6.889 164 1HD LYS 21 1HD LYS 21 57.885 -7.345 -9.333 165 2HD LYS 21 2HD LYS 21 59.121 -6.102 -9.137 166 1HE LYS 21 1HE LYS 21 60.496 -7.798 -7.843 167 2HE LYS 21 2HE LYS 21 59.320 -9.026 -8.350 168 1HZ LYS 21 1HZ LYS 21 59.658 -8.233 -10.664 169 2HZ LYS 21 2HZ LYS 21 60.935 -7.259 -10.110 170 3HZ LYS 21 3HZ LYS 21 61.042 -8.947 -9.985 171 H ALA 22 H ALA 22 55.563 -2.832 -7.068 172 HA ALA 22 HA ALA 22 56.745 -1.278 -9.136 173 1HB ALA 22 1HB ALA 22 54.320 -1.485 -8.533 174 2HB ALA 22 2HB ALA 22 54.626 -0.490 -7.109 175 3HB ALA 22 3HB ALA 22 54.835 0.192 -8.722 176 H ALA 23 H ALA 23 55.953 0.058 -5.913 177 HA ALA 23 HA ALA 23 57.641 2.288 -5.982 178 1HB ALA 23 1HB ALA 23 56.541 0.480 -3.854 179 2HB ALA 23 2HB ALA 23 57.685 1.737 -3.382 180 3HB ALA 23 3HB ALA 23 56.172 2.175 -4.176 181 H PHE 24 H PHE 24 58.463 -1.082 -5.436 182 HA PHE 24 HA PHE 24 61.108 -0.654 -4.343 183 1HB PHE 24 1HB PHE 24 60.224 -2.768 -3.934 184 2HB PHE 24 2HB PHE 24 59.476 -2.873 -5.524 185 HD1 PHE 24 HD1 PHE 24 63.014 -2.056 -4.629 186 HD2 PHE 24 HD2 PHE 24 60.325 -4.862 -6.456 187 HE1 PHE 24 HE1 PHE 24 64.948 -3.367 -5.460 188 HE2 PHE 24 HE2 PHE 24 62.258 -6.175 -7.286 189 HZ PHE 24 HZ PHE 24 64.569 -5.427 -6.789 190 H ASP 25 H ASP 25 59.853 -1.224 -7.639 191 HA ASP 25 HA ASP 25 62.361 -1.396 -8.987 192 1HB ASP 25 1HB ASP 25 59.509 -0.941 -9.586 193 2HB ASP 25 2HB ASP 25 60.609 -0.245 -10.776 194 H ILE 26 H ILE 26 60.214 1.433 -8.484 195 HA ILE 26 HA ILE 26 61.985 3.349 -9.692 196 HB ILE 26 HB ILE 26 59.745 3.518 -7.656 197 1HG1 ILE 26 1HG1 ILE 26 58.762 4.632 -9.875 198 2HG1 ILE 26 2HG1 ILE 26 59.981 3.609 -10.636 199 1HG2 ILE 26 1HG2 ILE 26 61.322 5.685 -9.056 200 2HG2 ILE 26 2HG2 ILE 26 59.697 5.965 -8.430 201 3HG2 ILE 26 3HG2 ILE 26 61.002 5.516 -7.330 202 1HD1 ILE 26 1HD1 ILE 26 58.184 2.430 -8.543 203 2HD1 ILE 26 2HD1 ILE 26 57.570 2.650 -10.181 204 3HD1 ILE 26 3HD1 ILE 26 58.986 1.637 -9.898 205 H PHE 27 H PHE 27 61.754 1.969 -6.464 206 HA PHE 27 HA PHE 27 63.307 3.898 -5.028 207 1HB PHE 27 1HB PHE 27 62.250 1.179 -4.738 208 2HB PHE 27 2HB PHE 27 63.773 1.408 -3.878 209 HD1 PHE 27 HD1 PHE 27 61.490 4.215 -4.541 210 HD2 PHE 27 HD2 PHE 27 62.736 1.279 -1.665 211 HE1 PHE 27 HE1 PHE 27 60.295 5.455 -2.756 212 HE2 PHE 27 HE2 PHE 27 61.541 2.519 0.119 213 HZ PHE 27 HZ PHE 27 60.320 4.606 -0.427 214 H VAL 28 H VAL 28 64.199 1.394 -7.291 215 HA VAL 28 HA VAL 28 67.089 1.809 -6.610 216 HB VAL 28 HB VAL 28 67.385 -0.454 -7.504 217 1HG1 VAL 28 1HG1 VAL 28 65.585 0.203 -5.298 218 2HG1 VAL 28 2HG1 VAL 28 65.277 -1.404 -5.955 219 3HG1 VAL 28 3HG1 VAL 28 66.886 -0.986 -5.365 220 1HG2 VAL 28 1HG2 VAL 28 65.337 0.004 -9.132 221 2HG2 VAL 28 2HG2 VAL 28 65.730 -1.639 -8.626 222 3HG2 VAL 28 3HG2 VAL 28 64.421 -0.761 -7.834 223 H LEU 29 H LEU 29 64.754 2.679 -8.833 224 HA LEU 29 HA LEU 29 65.877 2.274 -11.385 225 1HB LEU 29 1HB LEU 29 63.764 3.648 -10.237 226 2HB LEU 29 2HB LEU 29 64.743 4.945 -10.924 227 HG LEU 29 HG LEU 29 64.157 2.488 -12.556 228 1HD1 LEU 29 1HD1 LEU 29 62.207 4.415 -11.583 229 2HD1 LEU 29 2HD1 LEU 29 62.322 4.454 -13.342 230 3HD1 LEU 29 3HD1 LEU 29 61.948 2.942 -12.516 231 1HD2 LEU 29 1HD2 LEU 29 65.587 4.876 -12.938 232 2HD2 LEU 29 2HD2 LEU 29 65.144 3.706 -14.181 233 3HD2 LEU 29 3HD2 LEU 29 64.096 5.088 -13.856 234 H GLY 30 H GLY 30 68.219 2.447 -11.111 235 1HA GLY 30 1HA GLY 30 69.732 4.318 -12.081 236 2HA GLY 30 2HA GLY 30 69.216 5.224 -10.658 237 H ALA 31 H ALA 31 69.242 2.266 -9.439 238 HA ALA 31 HA ALA 31 71.659 2.575 -7.946 239 1HB ALA 31 1HB ALA 31 69.790 0.268 -8.535 240 2HB ALA 31 2HB ALA 31 71.134 0.123 -7.402 241 3HB ALA 31 3HB ALA 31 69.838 1.278 -7.090 242 H GLU 32 H GLU 32 73.162 0.378 -7.982 243 HA GLU 32 HA GLU 32 74.233 0.245 -10.777 244 1HB GLU 32 1HB GLU 32 75.344 0.504 -8.058 245 2HB GLU 32 2HB GLU 32 76.194 -0.667 -9.067 246 1HG GLU 32 1HG GLU 32 76.605 0.977 -10.772 247 2HG GLU 32 2HG GLU 32 75.529 2.138 -9.994 248 H ASP 33 H ASP 33 72.743 -1.590 -8.282 249 HA ASP 33 HA ASP 33 73.375 -4.117 -9.768 250 1HB ASP 33 1HB ASP 33 73.403 -3.510 -6.801 251 2HB ASP 33 2HB ASP 33 73.359 -5.158 -7.428 252 H GLY 34 H GLY 34 71.319 -3.081 -7.016 253 1HA GLY 34 1HA GLY 34 68.819 -3.099 -8.224 254 2HA GLY 34 2HA GLY 34 69.137 -4.798 -7.870 255 H CYS 35 H CYS 35 70.177 -2.012 -5.935 256 HA CYS 35 HA CYS 35 68.281 -2.885 -3.783 257 1HB CYS 35 1HB CYS 35 71.218 -2.166 -3.509 258 2HB CYS 35 2HB CYS 35 70.150 -2.665 -2.197 259 HG CYS 35 HG CYS 35 70.796 -4.594 -4.577 260 H ILE 36 H ILE 36 68.865 -1.039 -1.878 261 HA ILE 36 HA ILE 36 68.670 1.630 -3.234 262 HB ILE 36 HB ILE 36 66.955 0.467 -1.010 263 1HG1 ILE 36 1HG1 ILE 36 65.674 1.493 -3.439 264 2HG1 ILE 36 2HG1 ILE 36 66.759 0.140 -3.759 265 1HG2 ILE 36 1HG2 ILE 36 67.282 3.230 -2.126 266 2HG2 ILE 36 2HG2 ILE 36 65.675 2.704 -1.625 267 3HG2 ILE 36 3HG2 ILE 36 67.000 2.723 -0.460 268 1HD1 ILE 36 1HD1 ILE 36 64.618 0.126 -1.614 269 2HD1 ILE 36 2HD1 ILE 36 64.412 -0.570 -3.221 270 3HD1 ILE 36 3HD1 ILE 36 65.618 -1.236 -2.120 271 H SER 37 H SER 37 69.221 3.418 -1.744 272 HA SER 37 HA SER 37 70.540 2.772 0.816 273 1HB SER 37 1HB SER 37 71.914 2.712 -1.637 274 2HB SER 37 2HB SER 37 72.362 4.238 -0.886 275 HG SER 37 HG SER 37 73.565 2.178 -0.333 276 H THR 38 H THR 38 68.344 4.425 -0.049 277 HA THR 38 HA THR 38 67.463 6.532 0.561 278 HB THR 38 HB THR 38 68.676 7.853 2.039 279 HG1 THR 38 HG1 THR 38 70.925 8.090 1.901 280 1HG2 THR 38 1HG2 THR 38 68.864 5.192 2.462 281 2HG2 THR 38 2HG2 THR 38 70.576 5.612 2.424 282 3HG2 THR 38 3HG2 THR 38 69.501 6.395 3.583 283 H LYS 39 H LYS 39 70.711 6.782 -0.974 284 HA LYS 39 HA LYS 39 70.454 9.156 -2.395 285 1HB LYS 39 1HB LYS 39 72.050 6.845 -2.425 286 2HB LYS 39 2HB LYS 39 71.444 6.985 -4.076 287 1HG LYS 39 1HG LYS 39 73.450 8.272 -4.033 288 2HG LYS 39 2HG LYS 39 72.139 9.450 -3.961 289 1HD LYS 39 1HD LYS 39 72.684 10.108 -1.857 290 2HD LYS 39 2HD LYS 39 73.005 8.457 -1.326 291 1HE LYS 39 1HE LYS 39 75.118 8.760 -2.966 292 2HE LYS 39 2HE LYS 39 74.879 10.457 -2.503 293 1HZ LYS 39 1HZ LYS 39 74.787 9.774 -0.183 294 2HZ LYS 39 2HZ LYS 39 75.053 8.156 -0.629 295 3HZ LYS 39 3HZ LYS 39 76.266 9.314 -0.881 296 H GLU 40 H GLU 40 68.919 6.041 -3.042 297 HA GLU 40 HA GLU 40 67.599 7.041 -5.501 298 1HB GLU 40 1HB GLU 40 67.212 4.417 -4.029 299 2HB GLU 40 2HB GLU 40 66.938 4.743 -5.739 300 1HG GLU 40 1HG GLU 40 69.008 3.808 -5.967 301 2HG GLU 40 2HG GLU 40 69.558 5.429 -5.541 302 H LEU 41 H LEU 41 66.999 6.544 -2.108 303 HA LEU 41 HA LEU 41 64.099 6.534 -2.205 304 1HB LEU 41 1HB LEU 41 65.746 5.677 -0.413 305 2HB LEU 41 2HB LEU 41 65.877 7.363 0.092 306 HG LEU 41 HG LEU 41 63.378 7.428 0.303 307 1HD1 LEU 41 1HD1 LEU 41 63.786 4.618 -0.605 308 2HD1 LEU 41 2HD1 LEU 41 62.523 4.911 0.590 309 3HD1 LEU 41 3HD1 LEU 41 62.470 5.736 -0.969 310 1HD2 LEU 41 1HD2 LEU 41 65.131 6.768 2.153 311 2HD2 LEU 41 2HD2 LEU 41 63.409 6.547 2.467 312 3HD2 LEU 41 3HD2 LEU 41 64.404 5.168 1.998 313 H GLY 42 H GLY 42 66.368 8.991 -0.916 314 1HA GLY 42 1HA GLY 42 64.641 11.082 -0.470 315 2HA GLY 42 2HA GLY 42 66.269 11.346 -1.100 316 H LYS 43 H LYS 43 65.728 9.897 -3.609 317 HA LYS 43 HA LYS 43 64.773 12.074 -5.218 318 1HB LYS 43 1HB LYS 43 65.741 9.324 -5.489 319 2HB LYS 43 2HB LYS 43 64.510 9.715 -6.691 320 1HG LYS 43 1HG LYS 43 65.796 11.812 -7.223 321 2HG LYS 43 2HG LYS 43 67.077 11.234 -6.155 322 1HD LYS 43 1HD LYS 43 67.904 10.200 -7.986 323 2HD LYS 43 2HD LYS 43 66.598 9.037 -7.754 324 1HE LYS 43 1HE LYS 43 65.428 11.234 -9.098 325 2HE LYS 43 2HE LYS 43 66.965 10.910 -9.925 326 1HZ LYS 43 1HZ LYS 43 66.370 8.518 -9.864 327 2HZ LYS 43 2HZ LYS 43 64.834 8.943 -9.275 328 3HZ LYS 43 3HZ LYS 43 65.321 9.444 -10.823 329 H VAL 44 H VAL 44 63.222 9.161 -3.914 330 HA VAL 44 HA VAL 44 60.665 9.742 -5.258 331 HB VAL 44 HB VAL 44 61.733 7.652 -3.346 332 1HG1 VAL 44 1HG1 VAL 44 58.958 8.447 -3.826 333 2HG1 VAL 44 2HG1 VAL 44 59.254 6.758 -4.235 334 3HG1 VAL 44 3HG1 VAL 44 59.614 7.347 -2.613 335 1HG2 VAL 44 1HG2 VAL 44 61.541 7.962 -6.193 336 2HG2 VAL 44 2HG2 VAL 44 62.214 6.608 -5.285 337 3HG2 VAL 44 3HG2 VAL 44 60.500 6.623 -5.705 338 H MET 45 H MET 45 62.197 10.300 -2.143 339 HA MET 45 HA MET 45 59.910 10.679 -0.498 340 1HB MET 45 1HB MET 45 62.658 11.954 -0.585 341 2HB MET 45 2HB MET 45 61.528 12.197 0.748 342 1HG MET 45 1HG MET 45 62.566 9.510 -0.202 343 2HG MET 45 2HG MET 45 63.110 10.362 1.244 344 1HE MET 45 1HE MET 45 60.924 8.434 -0.637 345 2HE MET 45 2HE MET 45 60.136 7.417 0.567 346 3HE MET 45 3HE MET 45 59.282 8.806 -0.118 347 H ARG 46 H ARG 46 61.560 12.920 -2.723 348 HA ARG 46 HA ARG 46 60.003 15.247 -2.039 349 1HB ARG 46 1HB ARG 46 61.001 16.123 -4.103 350 2HB ARG 46 2HB ARG 46 62.210 15.198 -3.210 351 1HG ARG 46 1HG ARG 46 61.281 13.196 -4.681 352 2HG ARG 46 2HG ARG 46 60.795 14.508 -5.757 353 1HD ARG 46 1HD ARG 46 63.590 14.523 -4.656 354 2HD ARG 46 2HD ARG 46 63.204 13.443 -6.010 355 HE ARG 46 HE ARG 46 62.735 16.403 -6.066 356 1HH1 ARG 46 1HH2 ARG 46 65.102 15.348 -7.526 357 2HH1 ARG 46 2HH2 ARG 46 64.485 15.116 -9.127 358 1HH2 ARG 46 1HH1 ARG 46 61.160 15.239 -8.149 359 2HH2 ARG 46 2HH1 ARG 46 62.253 15.056 -9.480 360 H MET 47 H MET 47 59.463 12.507 -4.173 361 HA MET 47 HA MET 47 57.324 13.699 -5.726 362 1HB MET 47 1HB MET 47 58.708 11.135 -5.374 363 2HB MET 47 2HB MET 47 56.996 10.945 -5.757 364 1HG MET 47 1HG MET 47 57.398 11.474 -7.905 365 2HG MET 47 2HG MET 47 58.070 13.028 -7.408 366 1HE MET 47 1HE MET 47 58.763 9.502 -6.640 367 2HE MET 47 2HE MET 47 59.132 9.161 -8.330 368 3HE MET 47 3HE MET 47 60.425 9.147 -7.133 369 H LEU 48 H LEU 48 57.500 11.877 -2.695 370 HA LEU 48 HA LEU 48 54.655 11.394 -2.446 371 1HB LEU 48 1HB LEU 48 56.972 11.491 -0.488 372 2HB LEU 48 2HB LEU 48 55.356 10.929 -0.060 373 HG LEU 48 HG LEU 48 57.280 9.711 -2.048 374 1HD1 LEU 48 1HD1 LEU 48 57.129 9.209 0.546 375 2HD1 LEU 48 2HD1 LEU 48 55.728 8.253 0.065 376 3HD1 LEU 48 3HD1 LEU 48 57.317 7.887 -0.604 377 1HD2 LEU 48 1HD2 LEU 48 54.299 9.544 -1.869 378 2HD2 LEU 48 2HD2 LEU 48 55.345 9.438 -3.286 379 3HD2 LEU 48 3HD2 LEU 48 55.184 8.055 -2.204 380 H GLY 49 H GLY 49 56.818 14.030 -1.529 381 1HA GLY 49 1HA GLY 49 55.569 16.266 -1.483 382 2HA GLY 49 2HA GLY 49 54.476 15.469 -0.351 383 H GLN 50 H GLN 50 57.599 14.328 0.134 384 HA GLN 50 HA GLN 50 58.153 16.410 2.221 385 1HB GLN 50 1HB GLN 50 57.898 13.421 2.372 386 2HB GLN 50 2HB GLN 50 58.995 14.243 3.483 387 1HG GLN 50 1HG GLN 50 56.994 15.827 3.952 388 2HG GLN 50 2HG GLN 50 56.010 14.562 3.212 389 1HE2 GLN 50 2HE2 GLN 50 55.540 12.714 4.476 390 2HE2 GLN 50 1HE2 GLN 50 56.164 12.452 6.034 391 H ASN 51 H ASN 51 60.540 15.309 3.177 392 HA ASN 51 HA ASN 51 62.348 14.483 1.076 393 1HB ASN 51 1HB ASN 51 61.570 16.977 0.666 394 2HB ASN 51 2HB ASN 51 62.758 17.334 1.919 395 1HD2 ASN 51 2HD2 ASN 51 64.586 15.136 1.180 396 2HD2 ASN 51 1HD2 ASN 51 65.300 15.575 -0.296 397 HA PRO 52 HA PRO 52 63.955 14.027 5.341 398 1HB PRO 52 1HB PRO 52 64.891 11.485 4.975 399 2HB PRO 52 2HB PRO 52 63.209 11.837 5.417 400 1HG PRO 52 1HG PRO 52 64.360 11.117 2.775 401 2HG PRO 52 2HG PRO 52 62.802 10.675 3.488 402 1HD PRO 52 1HD PRO 52 63.139 12.631 1.587 403 2HD PRO 52 2HD PRO 52 61.780 12.566 2.730 404 H THR 53 H THR 53 65.977 14.882 5.693 405 HA THR 53 HA THR 53 67.928 15.374 3.720 406 HB THR 53 HB THR 53 69.318 15.153 6.110 407 HG1 THR 53 HG1 THR 53 67.714 15.971 7.609 408 1HG2 THR 53 1HG2 THR 53 68.923 17.121 4.494 409 2HG2 THR 53 2HG2 THR 53 67.503 17.476 5.477 410 3HG2 THR 53 3HG2 THR 53 69.110 17.508 6.205 411 HA PRO 54 HA PRO 54 70.247 11.680 3.232 412 1HB PRO 54 1HB PRO 54 72.851 12.433 3.607 413 2HB PRO 54 2HB PRO 54 71.911 12.891 2.174 414 1HG PRO 54 1HG PRO 54 72.555 14.485 4.604 415 2HG PRO 54 2HG PRO 54 72.481 14.991 2.909 416 1HD PRO 54 1HD PRO 54 70.500 15.488 4.712 417 2HD PRO 54 2HD PRO 54 70.216 15.314 2.967 418 H GLU 55 H GLU 55 70.876 13.459 6.210 419 HA GLU 55 HA GLU 55 72.203 11.233 7.564 420 1HB GLU 55 1HB GLU 55 71.211 13.989 8.195 421 2HB GLU 55 2HB GLU 55 71.540 12.898 9.541 422 1HG GLU 55 1HG GLU 55 73.793 12.943 9.198 423 2HG GLU 55 2HG GLU 55 73.623 12.954 7.442 424 H GLU 56 H GLU 56 68.944 12.704 7.651 425 HA GLU 56 HA GLU 56 67.944 10.754 9.592 426 1HB GLU 56 1HB GLU 56 67.023 12.963 9.587 427 2HB GLU 56 2HB GLU 56 66.743 12.915 7.847 428 1HG GLU 56 1HG GLU 56 65.019 11.238 8.103 429 2HG GLU 56 2HG GLU 56 65.384 11.060 9.819 430 H LEU 57 H LEU 57 68.445 10.774 6.203 431 HA LEU 57 HA LEU 57 66.245 9.209 5.266 432 1HB LEU 57 1HB LEU 57 68.911 10.083 4.420 433 2HB LEU 57 2HB LEU 57 68.479 8.504 3.765 434 HG LEU 57 HG LEU 57 66.852 11.053 3.534 435 1HD1 LEU 57 1HD1 LEU 57 68.847 9.701 1.865 436 2HD1 LEU 57 2HD1 LEU 57 67.332 10.006 1.014 437 3HD1 LEU 57 3HD1 LEU 57 68.215 11.344 1.748 438 1HD2 LEU 57 1HD2 LEU 57 66.265 8.175 2.837 439 2HD2 LEU 57 2HD2 LEU 57 65.235 9.337 3.678 440 3HD2 LEU 57 3HD2 LEU 57 65.507 9.495 1.939 441 H GLN 58 H GLN 58 69.582 8.073 5.940 442 HA GLN 58 HA GLN 58 69.299 5.346 5.778 443 1HB GLN 58 1HB GLN 58 70.899 7.263 7.308 444 2HB GLN 58 2HB GLN 58 70.758 5.703 8.120 445 1HG GLN 58 1HG GLN 58 71.208 5.321 5.287 446 2HG GLN 58 2HG GLN 58 72.470 6.343 5.977 447 1HE2 GLN 58 2HE2 GLN 58 71.848 3.165 5.354 448 2HE2 GLN 58 1HE2 GLN 58 72.718 2.441 6.620 449 H GLU 59 H GLU 59 68.253 7.356 8.537 450 HA GLU 59 HA GLU 59 67.498 5.404 10.387 451 1HB GLU 59 1HB GLU 59 66.120 7.979 9.560 452 2HB GLU 59 2HB GLU 59 65.786 7.114 11.061 453 1HG GLU 59 1HG GLU 59 68.490 8.214 10.233 454 2HG GLU 59 2HG GLU 59 67.416 8.935 11.431 455 H MET 60 H MET 60 65.938 6.241 7.338 456 HA MET 60 HA MET 60 63.442 4.867 7.878 457 1HB MET 60 1HB MET 60 63.199 6.406 6.184 458 2HB MET 60 2HB MET 60 64.866 6.229 5.651 459 1HG MET 60 1HG MET 60 63.451 5.375 3.903 460 2HG MET 60 2HG MET 60 64.231 3.996 4.671 461 1HE MET 60 1HE MET 60 61.428 5.902 3.692 462 2HE MET 60 2HE MET 60 59.955 5.059 4.170 463 3HE MET 60 3HE MET 60 60.732 6.191 5.284 464 H ILE 61 H ILE 61 66.570 3.965 6.503 465 HA ILE 61 HA ILE 61 65.661 1.335 5.584 466 HB ILE 61 HB ILE 61 68.262 2.845 5.821 467 1HG1 ILE 61 1HG1 ILE 61 68.067 2.074 3.262 468 2HG1 ILE 61 2HG1 ILE 61 66.356 2.005 3.684 469 1HG2 ILE 61 1HG2 ILE 61 67.915 -0.032 4.919 470 2HG2 ILE 61 2HG2 ILE 61 69.396 0.915 4.765 471 3HG2 ILE 61 3HG2 ILE 61 68.779 0.498 6.364 472 1HD1 ILE 61 1HD1 ILE 61 66.498 4.334 4.543 473 2HD1 ILE 61 2HD1 ILE 61 68.186 4.399 4.034 474 3HD1 ILE 61 3HD1 ILE 61 66.908 4.233 2.830 475 H ASP 62 H ASP 62 67.887 2.471 8.161 476 HA ASP 62 HA ASP 62 68.554 0.105 9.424 477 1HB ASP 62 1HB ASP 62 69.013 2.612 9.967 478 2HB ASP 62 2HB ASP 62 67.574 2.497 10.979 479 H GLU 63 H GLU 63 65.396 1.629 9.333 480 HA GLU 63 HA GLU 63 64.167 0.281 11.541 481 1HB GLU 63 1HB GLU 63 63.502 2.028 9.370 482 2HB GLU 63 2HB GLU 63 62.321 0.718 9.400 483 1HG GLU 63 1HG GLU 63 61.552 1.272 11.515 484 2HG GLU 63 2HG GLU 63 63.082 2.010 11.991 485 H VAL 64 H VAL 64 64.634 -0.644 8.141 486 HA VAL 64 HA VAL 64 63.425 -3.317 8.767 487 HB VAL 64 HB VAL 64 62.989 -3.386 6.327 488 1HG1 VAL 64 1HG1 VAL 64 61.902 -1.455 8.206 489 2HG1 VAL 64 2HG1 VAL 64 61.782 -0.857 6.551 490 3HG1 VAL 64 3HG1 VAL 64 61.064 -2.409 6.982 491 1HG2 VAL 64 1HG2 VAL 64 64.985 -2.012 5.698 492 2HG2 VAL 64 2HG2 VAL 64 63.499 -1.444 4.938 493 3HG2 VAL 64 3HG2 VAL 64 64.161 -0.586 6.329 494 H ASP 65 H ASP 65 66.361 -1.983 8.749 495 HA ASP 65 HA ASP 65 67.779 -3.829 6.945 496 1HB ASP 65 1HB ASP 65 68.384 -1.415 7.480 497 2HB ASP 65 2HB ASP 65 68.856 -1.972 9.086 498 H GLU 66 H GLU 66 67.125 -5.892 7.931 499 HA GLU 66 HA GLU 66 67.925 -6.404 10.730 500 1HB GLU 66 1HB GLU 66 66.907 -8.636 10.191 501 2HB GLU 66 2HB GLU 66 65.822 -7.284 9.859 502 1HG GLU 66 1HG GLU 66 66.031 -7.499 7.558 503 2HG GLU 66 2HG GLU 66 67.624 -8.248 7.668 504 H ASP 67 H ASP 67 70.022 -5.811 8.679 505 HA ASP 67 HA ASP 67 71.651 -8.271 9.109 506 1HB ASP 67 1HB ASP 67 72.305 -8.225 6.724 507 2HB ASP 67 2HB ASP 67 70.559 -8.414 6.889 508 H GLY 68 H GLY 68 71.417 -5.132 9.727 509 1HA GLY 68 1HA GLY 68 72.926 -3.340 9.986 510 2HA GLY 68 2HA GLY 68 74.045 -4.622 10.454 511 H SER 69 H SER 69 72.599 -4.253 7.248 512 HA SER 69 HA SER 69 75.314 -4.200 6.069 513 1HB SER 69 1HB SER 69 74.039 -4.600 3.994 514 2HB SER 69 2HB SER 69 73.521 -5.711 5.258 515 HG SER 69 HG SER 69 71.842 -4.524 4.011 516 H GLY 70 H GLY 70 72.481 -2.116 6.435 517 1HA GLY 70 1HA GLY 70 72.576 0.286 6.399 518 2HA GLY 70 2HA GLY 70 74.120 0.187 5.554 519 H THR 71 H THR 71 72.050 -2.004 4.134 520 HA THR 71 HA THR 71 71.063 0.009 2.141 521 HB THR 71 HB THR 71 71.629 -1.926 0.491 522 HG1 THR 71 HG1 THR 71 73.278 -2.585 2.701 523 1HG2 THR 71 1HG2 THR 71 73.772 -0.342 1.933 524 2HG2 THR 71 2HG2 THR 71 74.023 -1.183 0.403 525 3HG2 THR 71 3HG2 THR 71 72.876 0.154 0.496 526 H VAL 72 H VAL 72 69.269 -0.963 0.761 527 HA VAL 72 HA VAL 72 67.609 -2.853 2.399 528 HB VAL 72 HB VAL 72 66.987 -0.471 0.642 529 1HG1 VAL 72 1HG1 VAL 72 65.460 -2.379 0.080 530 2HG1 VAL 72 2HG1 VAL 72 64.986 -2.448 1.778 531 3HG1 VAL 72 3HG1 VAL 72 64.622 -1.013 0.817 532 1HG2 VAL 72 1HG2 VAL 72 66.284 -1.235 3.495 533 2HG2 VAL 72 2HG2 VAL 72 67.479 -0.033 3.008 534 3HG2 VAL 72 3HG2 VAL 72 65.768 0.246 2.688 535 H ASP 73 H ASP 73 66.727 -4.638 1.325 536 HA ASP 73 HA ASP 73 67.482 -4.954 -1.563 537 1HB ASP 73 1HB ASP 73 68.096 -6.446 0.763 538 2HB ASP 73 2HB ASP 73 66.947 -7.420 -0.155 539 H PHE 74 H PHE 74 65.979 -6.641 -2.655 540 HA PHE 74 HA PHE 74 63.278 -5.722 -2.632 541 1HB PHE 74 1HB PHE 74 64.514 -6.869 -4.485 542 2HB PHE 74 2HB PHE 74 64.426 -8.371 -3.566 543 HD1 PHE 74 HD1 PHE 74 61.892 -5.655 -4.044 544 HD2 PHE 74 HD2 PHE 74 62.926 -9.773 -4.698 545 HE1 PHE 74 HE1 PHE 74 59.623 -6.080 -4.956 546 HE2 PHE 74 HE2 PHE 74 60.659 -10.198 -5.608 547 HZ PHE 74 HZ PHE 74 59.009 -8.353 -5.738 548 H ASP 75 H ASP 75 64.927 -7.892 -0.536 549 HA ASP 75 HA ASP 75 62.528 -9.409 0.256 550 1HB ASP 75 1HB ASP 75 65.297 -9.248 1.488 551 2HB ASP 75 2HB ASP 75 64.116 -10.538 1.717 552 H GLU 76 H GLU 76 64.759 -7.087 1.839 553 HA GLU 76 HA GLU 76 63.214 -6.811 4.245 554 1HB GLU 76 1HB GLU 76 65.167 -4.937 2.865 555 2HB GLU 76 2HB GLU 76 64.685 -4.840 4.560 556 1HG GLU 76 1HG GLU 76 65.557 -7.166 4.886 557 2HG GLU 76 2HG GLU 76 66.156 -7.132 3.227 558 H PHE 77 H PHE 77 63.275 -4.959 1.198 559 HA PHE 77 HA PHE 77 61.690 -2.758 1.794 560 1HB PHE 77 1HB PHE 77 62.723 -3.290 -0.386 561 2HB PHE 77 2HB PHE 77 61.556 -4.589 -0.624 562 HD1 PHE 77 HD1 PHE 77 59.015 -3.876 -0.374 563 HD2 PHE 77 HD2 PHE 77 62.239 -1.176 -1.254 564 HE1 PHE 77 HE1 PHE 77 57.397 -2.253 -1.320 565 HE2 PHE 77 HE2 PHE 77 60.621 0.447 -2.201 566 HZ PHE 77 HZ PHE 77 58.200 -0.093 -2.235 567 H LEU 78 H LEU 78 60.637 -6.115 1.361 568 HA LEU 78 HA LEU 78 57.818 -5.659 1.245 569 1HB LEU 78 1HB LEU 78 59.701 -7.881 1.912 570 2HB LEU 78 2HB LEU 78 58.006 -8.093 2.353 571 HG LEU 78 HG LEU 78 58.899 -7.252 -0.413 572 1HD1 LEU 78 1HD1 LEU 78 58.339 -9.996 0.734 573 2HD1 LEU 78 2HD1 LEU 78 58.299 -9.657 -0.996 574 3HD1 LEU 78 3HD1 LEU 78 59.799 -9.451 -0.092 575 1HD2 LEU 78 1HD2 LEU 78 56.330 -7.744 0.967 576 2HD2 LEU 78 2HD2 LEU 78 56.671 -6.759 -0.456 577 3HD2 LEU 78 3HD2 LEU 78 56.472 -8.504 -0.618 578 H VAL 79 H VAL 79 60.002 -6.226 4.013 579 HA VAL 79 HA VAL 79 57.956 -6.226 6.034 580 HB VAL 79 HB VAL 79 60.919 -5.565 6.066 581 1HG1 VAL 79 1HG1 VAL 79 59.333 -4.826 8.051 582 2HG1 VAL 79 2HG1 VAL 79 59.387 -6.543 8.453 583 3HG1 VAL 79 3HG1 VAL 79 60.879 -5.603 8.392 584 1HG2 VAL 79 1HG2 VAL 79 60.043 -7.879 5.292 585 2HG2 VAL 79 2HG2 VAL 79 61.265 -7.854 6.563 586 3HG2 VAL 79 3HG2 VAL 79 59.570 -8.109 6.975 587 H MET 80 H MET 80 59.817 -3.654 4.473 588 HA MET 80 HA MET 80 59.149 -1.544 6.319 589 1HB MET 80 1HB MET 80 60.982 -1.660 4.552 590 2HB MET 80 2HB MET 80 59.729 -1.347 3.351 591 1HG MET 80 1HG MET 80 59.619 0.503 5.620 592 2HG MET 80 2HG MET 80 61.141 0.592 4.735 593 1HE MET 80 1HE MET 80 61.063 -0.025 2.352 594 2HE MET 80 2HE MET 80 59.573 -0.158 1.421 595 3HE MET 80 3HE MET 80 60.551 1.314 1.327 596 H MET 81 H MET 81 57.317 -3.201 3.915 597 HA MET 81 HA MET 81 55.392 -0.970 3.559 598 1HB MET 81 1HB MET 81 55.976 -3.643 2.334 599 2HB MET 81 2HB MET 81 54.361 -2.962 2.130 600 1HG MET 81 1HG MET 81 56.412 -0.954 1.674 601 2HG MET 81 2HG MET 81 56.628 -2.342 0.608 602 1HE MET 81 1HE MET 81 56.304 0.267 -0.410 603 2HE MET 81 2HE MET 81 54.778 0.716 -1.167 604 3HE MET 81 3HE MET 81 55.063 1.079 0.542 605 H VAL 82 H VAL 82 55.549 -4.253 4.934 606 HA VAL 82 HA VAL 82 52.843 -4.602 5.666 607 HB VAL 82 HB VAL 82 55.268 -5.382 7.310 608 1HG1 VAL 82 1HG1 VAL 82 52.877 -5.857 8.102 609 2HG1 VAL 82 2HG1 VAL 82 52.751 -6.952 6.725 610 3HG1 VAL 82 3HG1 VAL 82 53.951 -7.252 7.982 611 1HG2 VAL 82 1HG2 VAL 82 54.457 -6.132 4.567 612 2HG2 VAL 82 2HG2 VAL 82 56.033 -6.254 5.347 613 3HG2 VAL 82 3HG2 VAL 82 54.810 -7.492 5.632 614 H ARG 83 H ARG 83 55.359 -2.631 7.130 615 HA ARG 83 HA ARG 83 53.934 -2.108 9.614 616 1HB ARG 83 1HB ARG 83 56.276 -0.877 8.144 617 2HB ARG 83 2HB ARG 83 55.726 -0.274 9.709 618 1HG ARG 83 1HG ARG 83 56.085 -2.458 10.728 619 2HG ARG 83 2HG ARG 83 56.517 -3.150 9.164 620 1HD ARG 83 1HD ARG 83 58.554 -1.928 9.058 621 2HD ARG 83 2HD ARG 83 58.042 -0.811 10.340 622 HE ARG 83 HE ARG 83 57.920 -3.370 11.482 623 1HH1 ARG 83 1HH1 ARG 83 60.147 -0.975 10.465 624 2HH1 ARG 83 2HH1 ARG 83 61.525 -1.753 11.167 625 1HH2 ARG 83 1HH2 ARG 83 59.752 -4.547 12.204 626 2HH2 ARG 83 2HH2 ARG 83 61.302 -3.776 12.151 627 H CYS 84 H CYS 84 53.174 -1.226 6.517 628 HA CYS 84 HA CYS 84 51.591 1.100 7.463 629 1HB CYS 84 1HB CYS 84 54.087 1.364 6.223 630 2HB CYS 84 2HB CYS 84 52.925 1.660 4.929 631 HG CYS 84 HG CYS 84 53.587 3.746 6.778 632 H MET 85 H MET 85 50.965 -1.631 6.508 633 HA MET 85 HA MET 85 49.937 -1.353 3.770 634 1HB MET 85 1HB MET 85 50.252 -3.405 5.879 635 2HB MET 85 2HB MET 85 48.856 -3.634 4.824 636 1HG MET 85 1HG MET 85 50.269 -3.571 2.851 637 2HG MET 85 2HG MET 85 51.681 -3.162 3.827 638 1HE MET 85 1HE MET 85 48.738 -5.269 3.541 639 2HE MET 85 2HE MET 85 49.275 -6.954 3.526 640 3HE MET 85 3HE MET 85 48.974 -6.135 5.057 641 H LYS 86 H LYS 86 48.326 -2.167 6.872 642 HA LYS 86 HA LYS 86 45.909 -0.696 5.871 643 1HB LYS 86 1HB LYS 86 46.108 -3.011 7.822 644 2HB LYS 86 2HB LYS 86 44.630 -2.351 7.122 645 1HG LYS 86 1HG LYS 86 46.778 -3.280 5.258 646 2HG LYS 86 2HG LYS 86 45.796 -4.499 6.071 647 1HD LYS 86 1HD LYS 86 44.431 -2.169 4.768 648 2HD LYS 86 2HD LYS 86 45.008 -3.497 3.761 649 1HE LYS 86 1HE LYS 86 43.600 -4.438 6.158 650 2HE LYS 86 2HE LYS 86 42.575 -3.465 5.084 651 1HZ LYS 86 1HZ LYS 86 44.403 -5.408 3.875 652 2HZ LYS 86 2HZ LYS 86 42.995 -6.003 4.607 653 3HZ LYS 86 3HZ LYS 86 42.880 -4.878 3.339 654 H ASP 87 H ASP 87 44.767 -1.175 8.636 655 HA ASP 87 HA ASP 87 44.517 0.168 10.572 656 1HB ASP 87 1HB ASP 87 46.651 -1.331 10.789 657 2HB ASP 87 2HB ASP 87 47.532 0.185 10.589 658 H ASP 88 H ASP 88 43.747 2.120 9.547 659 HA ASP 88 HA ASP 88 45.668 4.110 8.544 660 1HB ASP 88 1HB ASP 88 42.744 3.647 8.674 661 2HB ASP 88 2HB ASP 88 43.232 5.341 8.711 662 H SER 89 H SER 89 46.231 6.033 9.629 663 HA SER 89 HA SER 89 45.177 6.372 12.416 664 1HB SER 89 1HB SER 89 47.595 7.029 12.941 665 2HB SER 89 2HB SER 89 47.322 5.322 12.600 666 HG SER 89 HG SER 89 49.006 5.880 11.330 667 1H ARG 1 1H ARG 1 56.562 3.820 7.993 668 2H ARG 1 2H ARG 1 58.241 4.050 7.929 669 3H ARG 1 3H ARG 1 57.439 4.071 9.426 670 HA ARG 1 HA ARG 1 56.607 6.173 9.132 671 1HB ARG 1 1HB ARG 1 59.294 5.598 8.189 672 2HB ARG 1 2HB ARG 1 58.663 7.060 7.429 673 1HG ARG 1 1HG ARG 1 58.022 6.932 10.276 674 2HG ARG 1 2HG ARG 1 59.761 6.900 9.980 675 1HD ARG 1 1HD ARG 1 58.364 8.854 8.289 676 2HD ARG 1 2HD ARG 1 58.216 9.197 10.025 677 HE ARG 1 HE ARG 1 60.798 8.912 8.554 678 1HH1 ARG 1 1HH1 ARG 1 60.527 8.083 11.553 679 2HH1 ARG 1 2HH1 ARG 1 61.154 9.509 12.311 680 1HH2 ARG 1 1HH2 ARG 1 60.941 11.447 9.442 681 2HH2 ARG 1 2HH2 ARG 1 61.391 11.415 11.115 682 H ILE 2 H ILE 2 58.069 5.830 5.901 683 HA ILE 2 HA ILE 2 56.354 7.426 4.438 684 HB ILE 2 HB ILE 2 58.342 6.296 3.555 685 1HG1 ILE 2 1HG1 ILE 2 55.738 5.647 2.145 686 2HG1 ILE 2 2HG1 ILE 2 56.800 7.026 1.859 687 1HG2 ILE 2 1HG2 ILE 2 57.966 4.149 4.774 688 2HG2 ILE 2 2HG2 ILE 2 56.662 3.772 3.648 689 3HG2 ILE 2 3HG2 ILE 2 58.321 3.904 3.064 690 1HD1 ILE 2 1HD1 ILE 2 58.605 5.255 1.290 691 2HD1 ILE 2 2HD1 ILE 2 57.254 4.130 1.154 692 3HD1 ILE 2 3HD1 ILE 2 57.333 5.544 0.103 693 H SER 3 H SER 3 54.308 7.175 3.460 694 HA SER 3 HA SER 3 52.447 5.346 4.740 695 1HB SER 3 1HB SER 3 52.400 7.753 3.320 696 2HB SER 3 2HB SER 3 51.571 6.618 2.259 697 HG SER 3 HG SER 3 50.982 6.640 5.004 698 H ALA 4 H ALA 4 50.833 4.650 2.478 699 HA ALA 4 HA ALA 4 52.613 2.795 0.938 700 1HB ALA 4 1HB ALA 4 50.641 2.233 2.969 701 2HB ALA 4 2HB ALA 4 50.123 1.532 1.436 702 3HB ALA 4 3HB ALA 4 51.693 1.102 2.117 703 H ASP 5 H ASP 5 49.302 4.142 1.186 704 HA ASP 5 HA ASP 5 48.808 3.686 -1.680 705 1HB ASP 5 1HB ASP 5 46.616 4.709 -1.079 706 2HB ASP 5 2HB ASP 5 47.057 3.403 0.024 707 H ALA 6 H ALA 6 49.295 6.485 0.489 708 HA ALA 6 HA ALA 6 48.882 8.585 -1.342 709 1HB ALA 6 1HB ALA 6 49.508 8.412 1.231 710 2HB ALA 6 2HB ALA 6 51.144 8.664 0.624 711 3HB ALA 6 3HB ALA 6 49.894 9.869 0.315 712 H MET 7 H MET 7 51.465 6.254 -1.230 713 HA MET 7 HA MET 7 53.331 7.877 -2.826 714 1HB MET 7 1HB MET 7 54.243 6.357 -1.214 715 2HB MET 7 2HB MET 7 53.237 5.032 -1.798 716 1HG MET 7 1HG MET 7 54.436 5.048 -3.945 717 2HG MET 7 2HG MET 7 55.429 6.396 -3.390 718 1HE MET 7 1HE MET 7 57.199 5.423 -4.085 719 2HE MET 7 2HE MET 7 58.309 4.815 -2.850 720 3HE MET 7 3HE MET 7 57.575 3.703 -4.003 721 H MET 8 H MET 8 50.636 5.858 -3.451 722 HA MET 8 HA MET 8 51.438 4.690 -5.960 723 1HB MET 8 1HB MET 8 48.716 5.446 -4.849 724 2HB MET 8 2HB MET 8 49.002 4.305 -6.164 725 1HG MET 8 1HG MET 8 49.897 4.026 -3.282 726 2HG MET 8 2HG MET 8 48.718 3.026 -4.130 727 1HE MET 8 1HE MET 8 51.975 3.831 -3.083 728 2HE MET 8 2HE MET 8 53.112 2.670 -3.766 729 3HE MET 8 3HE MET 8 52.708 4.147 -4.654 730 H GLN 9 H GLN 9 49.443 7.579 -5.219 731 HA GLN 9 HA GLN 9 49.449 8.411 -8.039 732 1HB GLN 9 1HB GLN 9 48.129 9.059 -5.498 733 2HB GLN 9 2HB GLN 9 48.468 10.484 -6.482 734 1HG GLN 9 1HG GLN 9 47.206 8.018 -7.678 735 2HG GLN 9 2HG GLN 9 46.228 9.262 -6.899 736 1HE2 GLN 9 2HE2 GLN 9 45.275 10.274 -8.717 737 2HE2 GLN 9 1HE2 GLN 9 46.165 10.983 -9.977 738 H ALA 10 H ALA 10 51.602 8.716 -5.441 739 HA ALA 10 HA ALA 10 52.557 11.422 -5.951 740 1HB ALA 10 1HB ALA 10 52.722 10.173 -3.792 741 2HB ALA 10 2HB ALA 10 53.852 9.056 -4.558 742 3HB ALA 10 3HB ALA 10 54.291 10.753 -4.353 743 H LEU 11 H LEU 11 53.975 8.179 -6.574 744 HA LEU 11 HA LEU 11 55.218 9.252 -9.054 745 1HB LEU 11 1HB LEU 11 57.434 8.373 -8.244 746 2HB LEU 11 2HB LEU 11 56.821 9.720 -7.284 747 HG LEU 11 HG LEU 11 55.781 7.241 -6.244 748 1HD1 LEU 11 1HD1 LEU 11 58.091 6.617 -7.410 749 2HD1 LEU 11 2HD1 LEU 11 58.757 7.345 -5.947 750 3HD1 LEU 11 3HD1 LEU 11 57.668 5.965 -5.827 751 1HD2 LEU 11 1HD2 LEU 11 56.037 9.446 -5.073 752 2HD2 LEU 11 2HD2 LEU 11 56.739 8.100 -4.179 753 3HD2 LEU 11 3HD2 LEU 11 57.782 9.200 -5.077 754 H LEU 12 H LEU 12 53.316 6.969 -7.857 755 HA LEU 12 HA LEU 12 54.594 4.742 -9.413 756 1HB LEU 12 1HB LEU 12 53.055 4.923 -6.853 757 2HB LEU 12 2HB LEU 12 52.858 3.464 -7.824 758 HG LEU 12 HG LEU 12 54.659 3.046 -6.287 759 1HD1 LEU 12 1HD1 LEU 12 54.953 2.870 -9.024 760 2HD1 LEU 12 2HD1 LEU 12 56.415 3.730 -8.541 761 3HD1 LEU 12 3HD1 LEU 12 56.047 2.154 -7.841 762 1HD2 LEU 12 1HD2 LEU 12 55.038 5.563 -5.923 763 2HD2 LEU 12 2HD2 LEU 12 56.471 4.535 -5.902 764 3HD2 LEU 12 3HD2 LEU 12 56.093 5.492 -7.335 765 H GLY 13 H GLY 13 53.512 5.691 -11.354 766 1HA GLY 13 1HA GLY 13 50.552 5.303 -11.357 767 2HA GLY 13 2HA GLY 13 51.435 6.295 -12.519 768 H ALA 14 H ALA 14 51.854 5.354 -14.460 769 HA ALA 14 HA ALA 14 52.613 2.565 -14.728 770 1HB ALA 14 1HB ALA 14 49.804 3.466 -15.433 771 2HB ALA 14 2HB ALA 14 50.501 1.937 -15.968 772 3HB ALA 14 3HB ALA 14 50.258 2.242 -14.249 773 H ARG 15 H ARG 15 50.524 3.877 -17.181 774 HA ARG 15 HA ARG 15 52.596 5.337 -18.629 775 1HB ARG 15 1HB ARG 15 52.914 2.676 -18.708 776 2HB ARG 15 2HB ARG 15 51.720 2.827 -19.998 777 1HG ARG 15 1HG ARG 15 53.663 3.130 -21.220 778 2HG ARG 15 2HG ARG 15 53.320 4.802 -20.777 779 1HD ARG 15 1HD ARG 15 55.233 4.934 -19.568 780 2HD ARG 15 2HD ARG 15 54.828 3.452 -18.679 781 HE ARG 15 HE ARG 15 55.984 2.168 -20.344 782 1HH1 ARG 15 1HH1 ARG 15 57.107 5.256 -20.263 783 2HH1 ARG 15 2HH1 ARG 15 57.682 5.314 -21.895 784 1HH2 ARG 15 1HH2 ARG 15 56.159 2.340 -22.820 785 2HH2 ARG 15 2HH2 ARG 15 57.148 3.664 -23.342 786 H ALA 16 H ALA 16 49.795 5.736 -17.818 787 HA ALA 16 HA ALA 16 47.793 6.578 -18.753 788 1HB ALA 16 1HB ALA 16 50.034 7.093 -20.587 789 2HB ALA 16 2HB ALA 16 48.461 7.109 -21.384 790 3HB ALA 16 3HB ALA 16 48.772 8.190 -20.026 791 H LYS 17 H LYS 17 48.673 3.618 -19.132 792 HA LYS 17 HA LYS 17 47.885 2.474 -21.534 793 1HB LYS 17 1HB LYS 17 48.705 1.295 -19.514 794 2HB LYS 17 2HB LYS 17 47.160 1.597 -18.719 795 1HG LYS 17 1HG LYS 17 45.988 0.163 -20.176 796 2HG LYS 17 2HG LYS 17 47.278 0.188 -21.381 797 1HD LYS 17 1HD LYS 17 48.433 -1.471 -20.350 798 2HD LYS 17 2HD LYS 17 48.136 -0.800 -18.746 799 1HE LYS 17 1HE LYS 17 45.632 -1.637 -19.320 800 2HE LYS 17 2HE LYS 17 46.559 -2.818 -20.267 801 1HZ LYS 17 1HZ LYS 17 47.577 -2.174 -17.614 802 2HZ LYS 17 2HZ LYS 17 46.150 -3.094 -17.665 803 3HZ LYS 17 3HZ LYS 17 47.555 -3.658 -18.435 Start of MODEL 20 1 1H MET 1 1H MET 1 61.980 -12.249 20.531 2 2H MET 1 2H MET 1 61.934 -13.791 21.240 3 3H MET 1 3H MET 1 62.946 -13.503 19.911 4 HA MET 1 HA MET 1 61.126 -14.629 18.984 5 1HB MET 1 1HB MET 1 59.805 -13.086 21.157 6 2HB MET 1 2HB MET 1 58.819 -13.413 19.731 7 1HG MET 1 1HG MET 1 60.319 -15.772 20.490 8 2HG MET 1 2HG MET 1 59.361 -15.185 21.849 9 1HE MET 1 1HE MET 1 57.680 -16.250 22.356 10 2HE MET 1 2HE MET 1 56.458 -15.144 21.732 11 3HE MET 1 3HE MET 1 56.319 -16.871 21.411 12 H ASP 2 H ASP 2 61.590 -13.776 16.958 13 HA ASP 2 HA ASP 2 60.607 -10.996 16.387 14 1HB ASP 2 1HB ASP 2 62.463 -10.834 14.839 15 2HB ASP 2 2HB ASP 2 63.100 -11.442 16.367 16 H ASP 3 H ASP 3 58.816 -13.163 16.189 17 HA ASP 3 HA ASP 3 58.662 -13.644 13.231 18 1HB ASP 3 1HB ASP 3 58.913 -15.508 15.088 19 2HB ASP 3 2HB ASP 3 57.184 -15.234 15.308 20 H ILE 4 H ILE 4 57.694 -11.212 13.866 21 HA ILE 4 HA ILE 4 54.730 -11.588 14.154 22 HB ILE 4 HB ILE 4 56.248 -10.292 15.872 23 1HG1 ILE 4 1HG1 ILE 4 53.708 -10.377 15.724 24 2HG1 ILE 4 2HG1 ILE 4 54.375 -8.917 16.456 25 1HG2 ILE 4 1HG2 ILE 4 55.870 -8.230 13.680 26 2HG2 ILE 4 2HG2 ILE 4 56.467 -7.890 15.305 27 3HG2 ILE 4 3HG2 ILE 4 57.410 -8.906 14.212 28 1HD1 ILE 4 1HD1 ILE 4 54.248 -8.485 13.640 29 2HD1 ILE 4 2HD1 ILE 4 52.690 -9.132 14.151 30 3HD1 ILE 4 3HD1 ILE 4 53.328 -7.671 14.905 31 H TYR 5 H TYR 5 57.333 -10.333 12.213 32 HA TYR 5 HA TYR 5 55.408 -8.970 10.371 33 1HB TYR 5 1HB TYR 5 58.334 -8.789 11.019 34 2HB TYR 5 2HB TYR 5 57.783 -8.254 9.432 35 HD1 TYR 5 HD1 TYR 5 55.319 -6.945 9.737 36 HD2 TYR 5 HD2 TYR 5 58.597 -7.025 12.511 37 HE1 TYR 5 HE1 TYR 5 54.533 -4.812 10.728 38 HE2 TYR 5 HE2 TYR 5 57.812 -4.891 13.500 39 HH TYR 5 HH TYR 5 54.741 -3.458 12.572 40 H LYS 6 H LYS 6 58.341 -11.027 10.181 41 HA LYS 6 HA LYS 6 58.312 -11.811 7.535 42 1HB LYS 6 1HB LYS 6 58.950 -13.152 10.138 43 2HB LYS 6 2HB LYS 6 59.018 -14.117 8.662 44 1HG LYS 6 1HG LYS 6 60.686 -12.737 7.700 45 2HG LYS 6 2HG LYS 6 60.396 -11.438 8.858 46 1HD LYS 6 1HD LYS 6 61.040 -13.796 10.333 47 2HD LYS 6 2HD LYS 6 62.252 -13.600 9.067 48 1HE LYS 6 1HE LYS 6 61.403 -11.310 10.864 49 2HE LYS 6 2HE LYS 6 62.774 -12.371 11.241 50 1HZ LYS 6 1HZ LYS 6 62.575 -11.307 8.525 51 2HZ LYS 6 2HZ LYS 6 63.072 -10.236 9.745 52 3HZ LYS 6 3HZ LYS 6 63.954 -11.657 9.448 53 H ALA 7 H ALA 7 56.103 -12.890 10.078 54 HA ALA 7 HA ALA 7 54.909 -15.074 8.631 55 1HB ALA 7 1HB ALA 7 53.946 -13.248 10.855 56 2HB ALA 7 2HB ALA 7 53.100 -14.712 10.354 57 3HB ALA 7 3HB ALA 7 54.721 -14.821 11.039 58 H ALA 8 H ALA 8 54.226 -11.594 8.778 59 HA ALA 8 HA ALA 8 51.718 -11.683 7.358 60 1HB ALA 8 1HB ALA 8 53.038 -9.850 8.792 61 2HB ALA 8 2HB ALA 8 53.582 -9.348 7.191 62 3HB ALA 8 3HB ALA 8 51.859 -9.378 7.568 63 H VAL 9 H VAL 9 55.082 -11.079 6.298 64 HA VAL 9 HA VAL 9 54.711 -10.481 3.603 65 HB VAL 9 HB VAL 9 56.752 -12.404 4.762 66 1HG1 VAL 9 1HG1 VAL 9 56.379 -11.144 2.181 67 2HG1 VAL 9 2HG1 VAL 9 57.893 -10.613 2.912 68 3HG1 VAL 9 3HG1 VAL 9 57.585 -12.333 2.671 69 1HG2 VAL 9 1HG2 VAL 9 56.414 -9.424 4.972 70 2HG2 VAL 9 2HG2 VAL 9 56.919 -10.575 6.209 71 3HG2 VAL 9 3HG2 VAL 9 58.038 -10.110 4.928 72 H GLU 10 H GLU 10 55.077 -13.784 4.952 73 HA GLU 10 HA GLU 10 54.500 -15.177 2.523 74 1HB GLU 10 1HB GLU 10 54.927 -15.680 5.351 75 2HB GLU 10 2HB GLU 10 53.659 -16.732 4.719 76 1HG GLU 10 1HG GLU 10 56.463 -16.411 3.610 77 2HG GLU 10 2HG GLU 10 55.803 -17.836 4.413 78 H GLN 11 H GLN 11 52.464 -13.383 4.621 79 HA GLN 11 HA GLN 11 50.007 -14.868 3.873 80 1HB GLN 11 1HB GLN 11 50.924 -13.414 6.083 81 2HB GLN 11 2HB GLN 11 49.703 -12.373 5.351 82 1HG GLN 11 1HG GLN 11 48.051 -13.692 6.115 83 2HG GLN 11 2HG GLN 11 48.776 -15.104 5.345 84 1HE2 GLN 11 2HE2 GLN 11 48.207 -13.564 8.386 85 2HE2 GLN 11 1HE2 GLN 11 49.140 -14.614 9.339 86 H LEU 12 H LEU 12 51.859 -12.813 2.215 87 HA LEU 12 HA LEU 12 49.921 -10.757 1.444 88 1HB LEU 12 1HB LEU 12 52.559 -11.672 0.249 89 2HB LEU 12 2HB LEU 12 51.723 -10.172 -0.152 90 HG LEU 12 HG LEU 12 52.552 -10.873 2.671 91 1HD1 LEU 12 1HD1 LEU 12 54.047 -9.445 0.470 92 2HD1 LEU 12 2HD1 LEU 12 54.381 -9.121 2.171 93 3HD1 LEU 12 3HD1 LEU 12 54.619 -10.742 1.518 94 1HD2 LEU 12 1HD2 LEU 12 51.726 -8.307 1.276 95 2HD2 LEU 12 2HD2 LEU 12 50.797 -9.187 2.491 96 3HD2 LEU 12 3HD2 LEU 12 52.308 -8.393 2.939 97 H THR 13 H THR 13 50.424 -10.802 -1.378 98 HA THR 13 HA THR 13 49.463 -13.393 -2.412 99 HB THR 13 HB THR 13 47.540 -11.705 -3.425 100 HG1 THR 13 HG1 THR 13 47.419 -10.061 -2.156 101 1HG2 THR 13 1HG2 THR 13 47.198 -13.962 -2.478 102 2HG2 THR 13 2HG2 THR 13 47.395 -13.304 -0.854 103 3HG2 THR 13 3HG2 THR 13 46.019 -12.814 -1.843 104 H GLU 14 H GLU 14 49.646 -13.475 -4.738 105 HA GLU 14 HA GLU 14 51.748 -12.213 -6.002 106 1HB GLU 14 1HB GLU 14 50.094 -14.063 -6.759 107 2HB GLU 14 2HB GLU 14 49.134 -12.739 -7.420 108 1HG GLU 14 1HG GLU 14 51.799 -12.244 -8.220 109 2HG GLU 14 2HG GLU 14 51.511 -13.961 -8.508 110 H GLU 15 H GLU 15 48.378 -11.164 -6.631 111 HA GLU 15 HA GLU 15 48.853 -8.752 -7.913 112 1HB GLU 15 1HB GLU 15 46.650 -8.103 -7.026 113 2HB GLU 15 2HB GLU 15 46.652 -9.817 -7.445 114 1HG GLU 15 1HG GLU 15 47.193 -10.330 -5.041 115 2HG GLU 15 2HG GLU 15 46.964 -8.619 -4.679 116 H GLN 16 H GLN 16 48.855 -9.308 -4.383 117 HA GLN 16 HA GLN 16 49.366 -6.536 -3.698 118 1HB GLN 16 1HB GLN 16 48.314 -8.086 -2.151 119 2HB GLN 16 2HB GLN 16 49.699 -9.175 -2.240 120 1HG GLN 16 1HG GLN 16 50.718 -8.046 -0.586 121 2HG GLN 16 2HG GLN 16 50.647 -6.564 -1.539 122 1HE2 GLN 16 2HE2 GLN 16 48.733 -5.161 -1.243 123 2HE2 GLN 16 1HE2 GLN 16 47.778 -5.292 0.154 124 H LYS 17 H LYS 17 51.461 -9.448 -3.804 125 HA LYS 17 HA LYS 17 53.893 -8.136 -3.099 126 1HB LYS 17 1HB LYS 17 53.992 -10.447 -2.988 127 2HB LYS 17 2HB LYS 17 53.005 -10.661 -4.430 128 1HG LYS 17 1HG LYS 17 55.746 -9.465 -4.697 129 2HG LYS 17 2HG LYS 17 55.578 -11.213 -4.516 130 1HD LYS 17 1HD LYS 17 53.618 -10.399 -6.395 131 2HD LYS 17 2HD LYS 17 55.125 -9.604 -6.858 132 1HE LYS 17 1HE LYS 17 54.926 -11.861 -7.903 133 2HE LYS 17 2HE LYS 17 56.298 -11.793 -6.779 134 1HZ LYS 17 1HZ LYS 17 53.982 -12.382 -5.313 135 2HZ LYS 17 2HZ LYS 17 54.034 -13.444 -6.636 136 3HZ LYS 17 3HZ LYS 17 55.343 -13.365 -5.558 137 H ASN 18 H ASN 18 52.222 -8.516 -6.198 138 HA ASN 18 HA ASN 18 54.367 -7.605 -7.887 139 1HB ASN 18 1HB ASN 18 51.390 -7.937 -8.032 140 2HB ASN 18 2HB ASN 18 52.200 -7.045 -9.321 141 1HD2 ASN 18 2HD2 ASN 18 51.022 -9.469 -10.024 142 2HD2 ASN 18 1HD2 ASN 18 52.219 -10.641 -10.304 143 H GLU 19 H GLU 19 51.656 -5.917 -6.288 144 HA GLU 19 HA GLU 19 52.075 -3.332 -7.411 145 1HB GLU 19 1HB GLU 19 50.425 -4.602 -5.536 146 2HB GLU 19 2HB GLU 19 51.239 -3.337 -4.616 147 1HG GLU 19 1HG GLU 19 50.240 -1.643 -5.795 148 2HG GLU 19 2HG GLU 19 50.221 -2.564 -7.300 149 H PHE 20 H PHE 20 53.305 -4.721 -4.340 150 HA PHE 20 HA PHE 20 54.873 -2.477 -3.542 151 1HB PHE 20 1HB PHE 20 55.197 -5.462 -3.095 152 2HB PHE 20 2HB PHE 20 56.049 -4.224 -2.175 153 HD1 PHE 20 HD1 PHE 20 53.586 -2.247 -2.280 154 HD2 PHE 20 HD2 PHE 20 54.066 -6.355 -1.116 155 HE1 PHE 20 HE1 PHE 20 51.642 -2.043 -0.758 156 HE2 PHE 20 HE2 PHE 20 52.121 -6.148 0.408 157 HZ PHE 20 HZ PHE 20 50.909 -3.993 0.586 158 H LYS 21 H LYS 21 55.844 -5.427 -5.333 159 HA LYS 21 HA LYS 21 58.552 -4.958 -5.731 160 1HB LYS 21 1HB LYS 21 56.322 -6.249 -7.190 161 2HB LYS 21 2HB LYS 21 57.742 -5.890 -8.174 162 1HG LYS 21 1HG LYS 21 58.347 -7.055 -5.529 163 2HG LYS 21 2HG LYS 21 57.476 -8.131 -6.624 164 1HD LYS 21 1HD LYS 21 59.512 -6.775 -8.116 165 2HD LYS 21 2HD LYS 21 60.246 -7.466 -6.668 166 1HE LYS 21 1HE LYS 21 59.893 -9.622 -7.367 167 2HE LYS 21 2HE LYS 21 58.326 -9.230 -8.102 168 1HZ LYS 21 1HZ LYS 21 59.516 -8.012 -9.843 169 2HZ LYS 21 2HZ LYS 21 61.000 -8.491 -9.171 170 3HZ LYS 21 3HZ LYS 21 59.953 -9.654 -9.825 171 H ALA 22 H ALA 22 55.834 -3.450 -7.472 172 HA ALA 22 HA ALA 22 57.155 -2.100 -9.531 173 1HB ALA 22 1HB ALA 22 54.716 -2.135 -9.085 174 2HB ALA 22 2HB ALA 22 54.963 -1.084 -7.690 175 3HB ALA 22 3HB ALA 22 55.296 -0.485 -9.316 176 H ALA 23 H ALA 23 56.432 -0.589 -6.352 177 HA ALA 23 HA ALA 23 58.147 1.650 -6.694 178 1HB ALA 23 1HB ALA 23 56.716 0.241 -4.526 179 2HB ALA 23 2HB ALA 23 58.097 1.196 -3.988 180 3HB ALA 23 3HB ALA 23 56.790 1.966 -4.886 181 H PHE 24 H PHE 24 58.783 -1.565 -5.284 182 HA PHE 24 HA PHE 24 61.372 -1.188 -4.264 183 1HB PHE 24 1HB PHE 24 60.169 -3.260 -3.999 184 2HB PHE 24 2HB PHE 24 60.061 -3.486 -5.745 185 HD1 PHE 24 HD1 PHE 24 62.512 -3.224 -2.934 186 HD2 PHE 24 HD2 PHE 24 61.751 -4.639 -6.917 187 HE1 PHE 24 HE1 PHE 24 64.669 -4.447 -2.912 188 HE2 PHE 24 HE2 PHE 24 63.908 -5.861 -6.896 189 HZ PHE 24 HZ PHE 24 65.367 -5.766 -4.894 190 H ASP 25 H ASP 25 60.328 -1.689 -7.622 191 HA ASP 25 HA ASP 25 62.960 -1.909 -8.776 192 1HB ASP 25 1HB ASP 25 60.356 -2.214 -9.574 193 2HB ASP 25 2HB ASP 25 60.773 -0.689 -10.356 194 H ILE 26 H ILE 26 60.658 0.838 -8.632 195 HA ILE 26 HA ILE 26 62.422 2.800 -9.728 196 HB ILE 26 HB ILE 26 60.011 2.825 -7.908 197 1HG1 ILE 26 1HG1 ILE 26 59.344 4.166 -10.167 198 2HG1 ILE 26 2HG1 ILE 26 60.593 3.098 -10.810 199 1HG2 ILE 26 1HG2 ILE 26 61.509 5.215 -9.026 200 2HG2 ILE 26 2HG2 ILE 26 59.926 5.284 -8.255 201 3HG2 ILE 26 3HG2 ILE 26 61.340 4.798 -7.321 202 1HD1 ILE 26 1HD1 ILE 26 58.379 2.045 -9.051 203 2HD1 ILE 26 2HD1 ILE 26 58.170 2.205 -10.794 204 3HD1 ILE 26 3HD1 ILE 26 59.426 1.148 -10.151 205 H PHE 27 H PHE 27 62.040 1.513 -6.470 206 HA PHE 27 HA PHE 27 63.393 3.514 -4.971 207 1HB PHE 27 1HB PHE 27 62.519 0.739 -4.737 208 2HB PHE 27 2HB PHE 27 64.009 1.032 -3.840 209 HD1 PHE 27 HD1 PHE 27 61.245 3.435 -4.563 210 HD2 PHE 27 HD2 PHE 27 63.282 1.100 -1.589 211 HE1 PHE 27 HE1 PHE 27 59.951 4.576 -2.781 212 HE2 PHE 27 HE2 PHE 27 61.988 2.241 0.194 213 HZ PHE 27 HZ PHE 27 60.323 3.979 -0.402 214 H VAL 28 H VAL 28 64.630 0.979 -7.080 215 HA VAL 28 HA VAL 28 67.425 1.781 -6.339 216 HB VAL 28 HB VAL 28 68.021 -0.499 -6.951 217 1HG1 VAL 28 1HG1 VAL 28 65.521 -0.348 -5.244 218 2HG1 VAL 28 2HG1 VAL 28 66.580 -1.756 -5.327 219 3HG1 VAL 28 3HG1 VAL 28 67.189 -0.232 -4.684 220 1HG2 VAL 28 1HG2 VAL 28 65.111 -0.724 -7.777 221 2HG2 VAL 28 2HG2 VAL 28 66.510 -0.784 -8.848 222 3HG2 VAL 28 3HG2 VAL 28 66.231 -2.082 -7.686 223 H LEU 29 H LEU 29 65.177 2.390 -8.636 224 HA LEU 29 HA LEU 29 66.231 1.770 -11.156 225 1HB LEU 29 1HB LEU 29 64.166 3.206 -10.207 226 2HB LEU 29 2HB LEU 29 65.227 4.537 -10.662 227 HG LEU 29 HG LEU 29 65.014 2.370 -12.664 228 1HD1 LEU 29 1HD1 LEU 29 62.653 2.789 -11.587 229 2HD1 LEU 29 2HD1 LEU 29 62.715 4.299 -12.498 230 3HD1 LEU 29 3HD1 LEU 29 62.811 2.755 -13.343 231 1HD2 LEU 29 1HD2 LEU 29 66.153 4.730 -12.757 232 2HD2 LEU 29 2HD2 LEU 29 65.266 4.152 -14.168 233 3HD2 LEU 29 3HD2 LEU 29 64.517 5.311 -13.070 234 H GLY 30 H GLY 30 68.517 1.857 -11.276 235 1HA GLY 30 1HA GLY 30 70.130 3.549 -12.289 236 2HA GLY 30 2HA GLY 30 69.730 4.567 -10.904 237 H ALA 31 H ALA 31 69.610 1.757 -9.444 238 HA ALA 31 HA ALA 31 72.256 1.973 -8.269 239 1HB ALA 31 1HB ALA 31 70.047 1.231 -7.213 240 2HB ALA 31 2HB ALA 31 70.267 -0.301 -8.059 241 3HB ALA 31 3HB ALA 31 71.442 0.215 -6.850 242 H GLU 32 H GLU 32 73.758 0.043 -8.189 243 HA GLU 32 HA GLU 32 73.962 -1.194 -10.901 244 1HB GLU 32 1HB GLU 32 75.792 0.250 -9.987 245 2HB GLU 32 2HB GLU 32 75.995 -0.902 -8.666 246 1HG GLU 32 1HG GLU 32 76.079 -1.875 -11.507 247 2HG GLU 32 2HG GLU 32 77.507 -1.115 -10.802 248 H ASP 33 H ASP 33 74.533 -2.064 -7.461 249 HA ASP 33 HA ASP 33 74.499 -4.928 -8.060 250 1HB ASP 33 1HB ASP 33 74.536 -3.242 -5.540 251 2HB ASP 33 2HB ASP 33 74.621 -5.004 -5.519 252 H GLY 34 H GLY 34 72.059 -2.696 -7.946 253 1HA GLY 34 1HA GLY 34 69.725 -2.993 -7.878 254 2HA GLY 34 2HA GLY 34 70.004 -4.721 -7.659 255 H CYS 35 H CYS 35 70.825 -1.821 -5.721 256 HA CYS 35 HA CYS 35 69.260 -2.986 -3.462 257 1HB CYS 35 1HB CYS 35 72.166 -2.104 -3.436 258 2HB CYS 35 2HB CYS 35 71.243 -2.540 -1.997 259 HG CYS 35 HG CYS 35 72.257 -4.777 -2.630 260 H ILE 36 H ILE 36 68.980 -1.314 -1.693 261 HA ILE 36 HA ILE 36 68.752 1.414 -2.906 262 HB ILE 36 HB ILE 36 67.382 0.229 -0.473 263 1HG1 ILE 36 1HG1 ILE 36 66.190 0.474 -3.241 264 2HG1 ILE 36 2HG1 ILE 36 67.022 -0.992 -2.722 265 1HG2 ILE 36 1HG2 ILE 36 67.495 2.844 -1.553 266 2HG2 ILE 36 2HG2 ILE 36 65.902 2.208 -1.961 267 3HG2 ILE 36 3HG2 ILE 36 66.426 2.255 -0.279 268 1HD1 ILE 36 1HD1 ILE 36 65.133 -0.054 -0.710 269 2HD1 ILE 36 2HD1 ILE 36 64.342 -0.373 -2.254 270 3HD1 ILE 36 3HD1 ILE 36 65.270 -1.645 -1.459 271 H SER 37 H SER 37 69.826 3.116 -1.955 272 HA SER 37 HA SER 37 71.187 2.646 0.680 273 1HB SER 37 1HB SER 37 72.374 2.720 -1.797 274 2HB SER 37 2HB SER 37 72.499 4.401 -1.290 275 HG SER 37 HG SER 37 73.431 2.077 0.041 276 H THR 38 H THR 38 68.683 4.059 -0.119 277 HA THR 38 HA THR 38 67.555 5.991 0.657 278 HB THR 38 HB THR 38 68.598 7.318 2.254 279 HG1 THR 38 HG1 THR 38 70.717 7.941 2.141 280 1HG2 THR 38 1HG2 THR 38 69.145 4.651 2.408 281 2HG2 THR 38 2HG2 THR 38 70.762 5.342 2.537 282 3HG2 THR 38 3HG2 THR 38 69.507 5.818 3.680 283 H LYS 39 H LYS 39 70.718 6.644 -0.926 284 HA LYS 39 HA LYS 39 70.303 9.127 -2.071 285 1HB LYS 39 1HB LYS 39 71.966 6.897 -2.434 286 2HB LYS 39 2HB LYS 39 71.263 7.184 -4.027 287 1HG LYS 39 1HG LYS 39 72.666 8.912 -4.326 288 2HG LYS 39 2HG LYS 39 71.950 9.722 -2.932 289 1HD LYS 39 1HD LYS 39 74.345 9.474 -2.558 290 2HD LYS 39 2HD LYS 39 73.477 8.415 -1.446 291 1HE LYS 39 1HE LYS 39 73.765 6.648 -3.412 292 2HE LYS 39 2HE LYS 39 75.138 7.691 -3.834 293 1HZ LYS 39 1HZ LYS 39 74.676 6.923 -1.028 294 2HZ LYS 39 2HZ LYS 39 75.468 5.842 -2.073 295 3HZ LYS 39 3HZ LYS 39 76.125 7.380 -1.788 296 H GLU 40 H GLU 40 68.937 6.020 -3.126 297 HA GLU 40 HA GLU 40 67.445 7.264 -5.345 298 1HB GLU 40 1HB GLU 40 67.203 4.483 -4.157 299 2HB GLU 40 2HB GLU 40 66.817 4.983 -5.804 300 1HG GLU 40 1HG GLU 40 69.610 5.218 -4.670 301 2HG GLU 40 2HG GLU 40 69.045 3.760 -5.485 302 H LEU 41 H LEU 41 66.998 6.386 -2.010 303 HA LEU 41 HA LEU 41 64.146 6.185 -1.897 304 1HB LEU 41 1HB LEU 41 65.772 5.458 -0.166 305 2HB LEU 41 2HB LEU 41 66.166 7.148 0.154 306 HG LEU 41 HG LEU 41 63.878 7.597 0.850 307 1HD1 LEU 41 1HD1 LEU 41 63.442 4.728 0.004 308 2HD1 LEU 41 2HD1 LEU 41 62.295 5.616 1.009 309 3HD1 LEU 41 3HD1 LEU 41 62.645 6.167 -0.631 310 1HD2 LEU 41 1HD2 LEU 41 65.691 5.996 2.223 311 2HD2 LEU 41 2HD2 LEU 41 64.265 6.763 2.923 312 3HD2 LEU 41 3HD2 LEU 41 64.177 5.098 2.349 313 H GLY 42 H GLY 42 66.022 8.888 -0.513 314 1HA GLY 42 1HA GLY 42 64.032 10.764 -0.250 315 2HA GLY 42 2HA GLY 42 65.675 11.218 -0.699 316 H LYS 43 H LYS 43 65.667 9.882 -3.269 317 HA LYS 43 HA LYS 43 64.688 11.931 -4.958 318 1HB LYS 43 1HB LYS 43 65.367 9.010 -5.321 319 2HB LYS 43 2HB LYS 43 64.885 10.014 -6.688 320 1HG LYS 43 1HG LYS 43 66.930 11.233 -4.947 321 2HG LYS 43 2HG LYS 43 67.461 9.775 -5.783 322 1HD LYS 43 1HD LYS 43 67.728 10.976 -7.657 323 2HD LYS 43 2HD LYS 43 65.996 11.312 -7.665 324 1HE LYS 43 1HE LYS 43 66.637 13.495 -7.424 325 2HE LYS 43 2HE LYS 43 66.927 13.058 -5.728 326 1HZ LYS 43 1HZ LYS 43 69.138 12.125 -6.711 327 2HZ LYS 43 2HZ LYS 43 68.843 13.251 -7.948 328 3HZ LYS 43 3HZ LYS 43 69.002 13.779 -6.344 329 H VAL 44 H VAL 44 63.102 8.998 -3.756 330 HA VAL 44 HA VAL 44 60.724 9.409 -5.444 331 HB VAL 44 HB VAL 44 61.561 7.476 -3.268 332 1HG1 VAL 44 1HG1 VAL 44 59.095 7.897 -3.194 333 2HG1 VAL 44 2HG1 VAL 44 58.999 7.433 -4.892 334 3HG1 VAL 44 3HG1 VAL 44 59.496 6.251 -3.682 335 1HG2 VAL 44 1HG2 VAL 44 61.235 7.372 -6.272 336 2HG2 VAL 44 2HG2 VAL 44 62.670 7.001 -5.315 337 3HG2 VAL 44 3HG2 VAL 44 61.290 5.903 -5.297 338 H MET 45 H MET 45 61.835 10.316 -2.273 339 HA MET 45 HA MET 45 59.324 10.629 -0.932 340 1HB MET 45 1HB MET 45 62.117 11.692 -0.713 341 2HB MET 45 2HB MET 45 60.856 12.449 0.261 342 1HG MET 45 1HG MET 45 61.988 10.579 1.461 343 2HG MET 45 2HG MET 45 60.263 10.291 1.240 344 1HE MET 45 1HE MET 45 59.203 8.976 0.075 345 2HE MET 45 2HE MET 45 59.678 8.640 -1.590 346 3HE MET 45 3HE MET 45 59.731 7.351 -0.389 347 H ARG 46 H ARG 46 61.337 13.104 -2.591 348 HA ARG 46 HA ARG 46 59.534 15.264 -2.394 349 1HB ARG 46 1HB ARG 46 60.748 16.031 -4.479 350 2HB ARG 46 2HB ARG 46 61.818 15.494 -3.184 351 1HG ARG 46 1HG ARG 46 62.582 13.734 -4.391 352 2HG ARG 46 2HG ARG 46 60.968 13.327 -4.979 353 1HD ARG 46 1HD ARG 46 61.129 14.773 -6.818 354 2HD ARG 46 2HD ARG 46 62.369 15.776 -6.042 355 HE ARG 46 HE ARG 46 63.865 13.691 -6.237 356 1HH1 ARG 46 1HH2 ARG 46 63.768 15.100 -8.824 357 2HH1 ARG 46 2HH2 ARG 46 63.274 13.858 -9.926 358 1HH2 ARG 46 1HH1 ARG 46 62.107 11.744 -7.438 359 2HH2 ARG 46 2HH1 ARG 46 62.336 11.957 -9.141 360 H MET 47 H MET 47 59.344 12.375 -4.314 361 HA MET 47 HA MET 47 57.371 13.467 -6.210 362 1HB MET 47 1HB MET 47 58.629 10.772 -5.656 363 2HB MET 47 2HB MET 47 57.371 10.983 -6.877 364 1HG MET 47 1HG MET 47 58.996 13.017 -7.578 365 2HG MET 47 2HG MET 47 60.194 11.925 -6.883 366 1HE MET 47 1HE MET 47 58.955 9.316 -7.123 367 2HE MET 47 2HE MET 47 59.220 8.590 -8.707 368 3HE MET 47 3HE MET 47 60.570 9.321 -7.828 369 H LEU 48 H LEU 48 57.414 11.451 -3.288 370 HA LEU 48 HA LEU 48 54.618 10.670 -3.464 371 1HB LEU 48 1HB LEU 48 56.695 10.709 -1.255 372 2HB LEU 48 2HB LEU 48 55.091 10.006 -1.056 373 HG LEU 48 HG LEU 48 57.326 9.098 -2.870 374 1HD1 LEU 48 1HD1 LEU 48 56.728 8.304 -0.401 375 2HD1 LEU 48 2HD1 LEU 48 55.536 7.327 -1.257 376 3HD1 LEU 48 3HD1 LEU 48 57.252 7.150 -1.627 377 1HD2 LEU 48 1HD2 LEU 48 54.358 8.542 -3.094 378 2HD2 LEU 48 2HD2 LEU 48 55.452 9.106 -4.356 379 3HD2 LEU 48 3HD2 LEU 48 55.573 7.451 -3.762 380 H GLY 49 H GLY 49 56.321 12.900 -1.229 381 1HA GLY 49 1HA GLY 49 54.839 15.176 -1.404 382 2HA GLY 49 2HA GLY 49 53.757 14.130 -0.482 383 H GLN 50 H GLN 50 57.292 14.113 -0.249 384 HA GLN 50 HA GLN 50 57.189 15.557 2.336 385 1HB GLN 50 1HB GLN 50 57.002 12.740 2.100 386 2HB GLN 50 2HB GLN 50 58.642 13.078 2.657 387 1HG GLN 50 1HG GLN 50 57.781 14.422 4.503 388 2HG GLN 50 2HG GLN 50 56.130 14.213 3.919 389 1HE2 GLN 50 2HE2 GLN 50 56.077 11.476 3.299 390 2HE2 GLN 50 1HE2 GLN 50 56.348 10.567 4.706 391 H ASN 51 H ASN 51 59.730 14.848 3.232 392 HA ASN 51 HA ASN 51 61.754 14.871 1.174 393 1HB ASN 51 1HB ASN 51 62.388 17.269 1.442 394 2HB ASN 51 2HB ASN 51 60.765 17.087 0.775 395 1HD2 ASN 51 2HD2 ASN 51 58.943 17.677 2.133 396 2HD2 ASN 51 1HD2 ASN 51 59.151 18.519 3.593 397 HA PRO 52 HA PRO 52 62.997 14.036 5.570 398 1HB PRO 52 1HB PRO 52 64.110 11.586 5.064 399 2HB PRO 52 2HB PRO 52 62.389 11.806 5.441 400 1HG PRO 52 1HG PRO 52 63.712 11.414 2.802 401 2HG PRO 52 2HG PRO 52 62.182 10.760 3.406 402 1HD PRO 52 1HD PRO 52 62.329 12.873 1.698 403 2HD PRO 52 2HD PRO 52 61.006 12.649 2.863 404 H THR 53 H THR 53 65.073 14.536 6.296 405 HA THR 53 HA THR 53 67.038 15.509 4.444 406 HB THR 53 HB THR 53 68.399 15.279 6.737 407 HG1 THR 53 HG1 THR 53 67.220 14.625 8.337 408 1HG2 THR 53 1HG2 THR 53 66.454 17.159 5.658 409 2HG2 THR 53 2HG2 THR 53 66.519 17.224 7.420 410 3HG2 THR 53 3HG2 THR 53 67.985 17.480 6.474 411 HA PRO 54 HA PRO 54 69.501 11.991 3.564 412 1HB PRO 54 1HB PRO 54 72.060 12.880 3.978 413 2HB PRO 54 2HB PRO 54 71.070 13.387 2.594 414 1HG PRO 54 1HG PRO 54 71.620 14.817 5.150 415 2HG PRO 54 2HG PRO 54 71.526 15.452 3.499 416 1HD PRO 54 1HD PRO 54 69.506 15.706 5.292 417 2HD PRO 54 2HD PRO 54 69.234 15.587 3.538 418 H GLU 55 H GLU 55 70.361 13.610 6.617 419 HA GLU 55 HA GLU 55 71.732 11.366 7.800 420 1HB GLU 55 1HB GLU 55 71.952 13.706 8.536 421 2HB GLU 55 2HB GLU 55 70.249 13.731 8.999 422 1HG GLU 55 1HG GLU 55 71.177 11.501 10.324 423 2HG GLU 55 2HG GLU 55 72.557 12.596 10.422 424 H GLU 56 H GLU 56 68.346 12.473 7.866 425 HA GLU 56 HA GLU 56 67.492 10.343 9.688 426 1HB GLU 56 1HB GLU 56 66.510 12.791 8.539 427 2HB GLU 56 2HB GLU 56 65.330 11.513 8.243 428 1HG GLU 56 1HG GLU 56 64.921 11.176 10.491 429 2HG GLU 56 2HG GLU 56 66.541 11.684 10.970 430 H LEU 57 H LEU 57 67.850 10.767 6.246 431 HA LEU 57 HA LEU 57 66.016 9.032 5.090 432 1HB LEU 57 1HB LEU 57 68.646 10.112 4.551 433 2HB LEU 57 2HB LEU 57 68.537 8.466 3.931 434 HG LEU 57 HG LEU 57 66.761 10.821 3.260 435 1HD1 LEU 57 1HD1 LEU 57 68.774 9.106 1.849 436 2HD1 LEU 57 2HD1 LEU 57 67.439 9.782 0.916 437 3HD1 LEU 57 3HD1 LEU 57 68.546 10.854 1.773 438 1HD2 LEU 57 1HD2 LEU 57 66.302 7.859 2.951 439 2HD2 LEU 57 2HD2 LEU 57 65.159 9.112 3.435 440 3HD2 LEU 57 3HD2 LEU 57 65.658 8.979 1.749 441 H GLN 58 H GLN 58 69.284 7.997 6.138 442 HA GLN 58 HA GLN 58 69.064 5.250 5.872 443 1HB GLN 58 1HB GLN 58 70.509 7.170 7.575 444 2HB GLN 58 2HB GLN 58 70.398 5.551 8.266 445 1HG GLN 58 1HG GLN 58 70.992 5.289 5.481 446 2HG GLN 58 2HG GLN 58 72.123 6.450 6.180 447 1HE2 GLN 58 2HE2 GLN 58 71.667 3.153 5.695 448 2HE2 GLN 58 1HE2 GLN 58 72.682 2.566 6.922 449 H GLU 59 H GLU 59 67.709 7.259 8.472 450 HA GLU 59 HA GLU 59 66.906 5.341 10.339 451 1HB GLU 59 1HB GLU 59 66.604 7.927 10.182 452 2HB GLU 59 2HB GLU 59 65.080 7.546 9.379 453 1HG GLU 59 1HG GLU 59 64.463 7.712 11.645 454 2HG GLU 59 2HG GLU 59 64.659 5.974 11.407 455 H MET 60 H MET 60 65.522 6.051 7.166 456 HA MET 60 HA MET 60 63.171 4.356 7.522 457 1HB MET 60 1HB MET 60 64.475 6.031 5.440 458 2HB MET 60 2HB MET 60 63.455 4.721 4.841 459 1HG MET 60 1HG MET 60 61.535 5.677 5.621 460 2HG MET 60 2HG MET 60 62.317 6.299 7.075 461 1HE MET 60 1HE MET 60 60.740 6.685 4.132 462 2HE MET 60 2HE MET 60 60.242 8.268 4.724 463 3HE MET 60 3HE MET 60 61.220 8.149 3.262 464 H ILE 61 H ILE 61 66.419 3.645 7.172 465 HA ILE 61 HA ILE 61 65.938 1.174 5.558 466 HB ILE 61 HB ILE 61 68.519 2.445 6.491 467 1HG1 ILE 61 1HG1 ILE 61 67.038 3.948 5.079 468 2HG1 ILE 61 2HG1 ILE 61 68.633 3.606 4.403 469 1HG2 ILE 61 1HG2 ILE 61 67.871 0.018 5.110 470 2HG2 ILE 61 2HG2 ILE 61 68.753 1.086 4.018 471 3HG2 ILE 61 3HG2 ILE 61 69.461 0.629 5.567 472 1HD1 ILE 61 1HD1 ILE 61 66.571 1.636 3.711 473 2HD1 ILE 61 2HD1 ILE 61 66.283 3.246 3.054 474 3HD1 ILE 61 3HD1 ILE 61 67.786 2.397 2.688 475 H ASP 62 H ASP 62 67.794 2.175 8.460 476 HA ASP 62 HA ASP 62 68.325 -0.384 9.511 477 1HB ASP 62 1HB ASP 62 69.120 1.965 10.196 478 2HB ASP 62 2HB ASP 62 67.637 2.065 11.146 479 H GLU 63 H GLU 63 65.385 1.580 9.748 480 HA GLU 63 HA GLU 63 64.033 0.247 11.835 481 1HB GLU 63 1HB GLU 63 63.452 1.968 9.548 482 2HB GLU 63 2HB GLU 63 62.114 0.875 9.907 483 1HG GLU 63 1HG GLU 63 62.007 1.634 12.193 484 2HG GLU 63 2HG GLU 63 63.497 2.560 12.009 485 H VAL 64 H VAL 64 64.003 -0.531 8.333 486 HA VAL 64 HA VAL 64 62.756 -3.165 9.009 487 HB VAL 64 HB VAL 64 62.138 -3.134 6.604 488 1HG1 VAL 64 1HG1 VAL 64 61.522 -0.568 8.102 489 2HG1 VAL 64 2HG1 VAL 64 60.615 -1.176 6.717 490 3HG1 VAL 64 3HG1 VAL 64 60.628 -2.081 8.230 491 1HG2 VAL 64 1HG2 VAL 64 64.199 -1.822 5.925 492 2HG2 VAL 64 2HG2 VAL 64 62.695 -1.248 5.205 493 3HG2 VAL 64 3HG2 VAL 64 63.408 -0.381 6.565 494 H ASP 65 H ASP 65 65.563 -2.830 9.505 495 HA ASP 65 HA ASP 65 66.765 -4.455 7.284 496 1HB ASP 65 1HB ASP 65 67.677 -2.161 7.638 497 2HB ASP 65 2HB ASP 65 68.074 -2.599 9.300 498 H GLU 66 H GLU 66 68.005 -6.296 7.916 499 HA GLU 66 HA GLU 66 67.779 -7.060 10.812 500 1HB GLU 66 1HB GLU 66 67.335 -8.592 8.244 501 2HB GLU 66 2HB GLU 66 67.619 -9.421 9.775 502 1HG GLU 66 1HG GLU 66 65.514 -7.276 9.569 503 2HG GLU 66 2HG GLU 66 65.159 -8.932 9.075 504 H ASP 67 H ASP 67 70.020 -5.922 8.914 505 HA ASP 67 HA ASP 67 72.122 -7.768 9.935 506 1HB ASP 67 1HB ASP 67 73.136 -7.584 7.563 507 2HB ASP 67 2HB ASP 67 71.736 -8.640 7.759 508 H GLY 68 H GLY 68 71.331 -4.700 8.302 509 1HA GLY 68 1HA GLY 68 72.175 -2.558 8.992 510 2HA GLY 68 2HA GLY 68 73.447 -3.379 9.896 511 H SER 69 H SER 69 72.721 -4.280 6.593 512 HA SER 69 HA SER 69 75.454 -3.875 5.750 513 1HB SER 69 1HB SER 69 74.560 -4.603 3.598 514 2HB SER 69 2HB SER 69 73.811 -5.556 4.876 515 HG SER 69 HG SER 69 72.200 -3.659 4.748 516 H GLY 70 H GLY 70 72.969 -1.659 6.256 517 1HA GLY 70 1HA GLY 70 72.994 0.673 5.839 518 2HA GLY 70 2HA GLY 70 74.446 0.448 4.863 519 H THR 71 H THR 71 72.097 -1.771 3.939 520 HA THR 71 HA THR 71 70.898 0.062 1.910 521 HB THR 71 HB THR 71 71.526 -1.593 0.162 522 HG1 THR 71 HG1 THR 71 71.678 -3.425 1.435 523 1HG2 THR 71 1HG2 THR 71 73.066 0.348 1.129 524 2HG2 THR 71 2HG2 THR 71 74.085 -1.016 1.592 525 3HG2 THR 71 3HG2 THR 71 73.665 -0.764 -0.102 526 H VAL 72 H VAL 72 69.214 -1.341 0.586 527 HA VAL 72 HA VAL 72 67.862 -3.269 2.442 528 HB VAL 72 HB VAL 72 66.702 -0.993 0.800 529 1HG1 VAL 72 1HG1 VAL 72 65.226 -2.977 0.781 530 2HG1 VAL 72 2HG1 VAL 72 65.314 -3.056 2.542 531 3HG1 VAL 72 3HG1 VAL 72 64.534 -1.681 1.760 532 1HG2 VAL 72 1HG2 VAL 72 66.859 -1.514 3.788 533 2HG2 VAL 72 2HG2 VAL 72 67.764 -0.287 2.900 534 3HG2 VAL 72 3HG2 VAL 72 66.010 -0.160 3.041 535 H ASP 73 H ASP 73 66.273 -4.682 1.231 536 HA ASP 73 HA ASP 73 66.834 -4.950 -1.682 537 1HB ASP 73 1HB ASP 73 68.035 -6.481 0.389 538 2HB ASP 73 2HB ASP 73 66.875 -7.536 -0.419 539 H PHE 74 H PHE 74 65.397 -6.908 -2.504 540 HA PHE 74 HA PHE 74 62.665 -6.291 -2.133 541 1HB PHE 74 1HB PHE 74 63.715 -7.560 -4.009 542 2HB PHE 74 2HB PHE 74 63.950 -8.927 -2.920 543 HD1 PHE 74 HD1 PHE 74 61.053 -6.579 -3.184 544 HD2 PHE 74 HD2 PHE 74 62.482 -10.596 -3.712 545 HE1 PHE 74 HE1 PHE 74 58.737 -7.343 -3.644 546 HE2 PHE 74 HE2 PHE 74 60.168 -11.360 -4.171 547 HZ PHE 74 HZ PHE 74 58.296 -9.733 -4.137 548 H ASP 75 H ASP 75 64.802 -8.091 -0.101 549 HA ASP 75 HA ASP 75 62.677 -9.636 1.233 550 1HB ASP 75 1HB ASP 75 65.053 -10.396 0.850 551 2HB ASP 75 2HB ASP 75 65.575 -9.162 1.998 552 H GLU 76 H GLU 76 64.955 -7.037 2.212 553 HA GLU 76 HA GLU 76 63.561 -6.551 4.725 554 1HB GLU 76 1HB GLU 76 65.604 -4.930 3.167 555 2HB GLU 76 2HB GLU 76 65.200 -4.708 4.870 556 1HG GLU 76 1HG GLU 76 66.120 -6.808 5.478 557 2HG GLU 76 2HG GLU 76 66.157 -7.368 3.806 558 H PHE 77 H PHE 77 63.419 -5.243 1.460 559 HA PHE 77 HA PHE 77 62.032 -2.796 2.048 560 1HB PHE 77 1HB PHE 77 63.128 -3.151 -0.067 561 2HB PHE 77 2HB PHE 77 62.207 -4.625 -0.363 562 HD1 PHE 77 HD1 PHE 77 61.888 -0.932 0.038 563 HD2 PHE 77 HD2 PHE 77 60.067 -4.553 -1.386 564 HE1 PHE 77 HE1 PHE 77 60.111 0.397 -1.070 565 HE2 PHE 77 HE2 PHE 77 58.291 -3.224 -2.494 566 HZ PHE 77 HZ PHE 77 58.312 -0.749 -2.335 567 H LEU 78 H LEU 78 60.897 -6.098 1.324 568 HA LEU 78 HA LEU 78 58.113 -5.547 1.116 569 1HB LEU 78 1HB LEU 78 59.870 -7.871 1.807 570 2HB LEU 78 2HB LEU 78 58.136 -8.034 2.086 571 HG LEU 78 HG LEU 78 59.220 -7.026 -0.543 572 1HD1 LEU 78 1HD1 LEU 78 60.028 -9.408 0.270 573 2HD1 LEU 78 2HD1 LEU 78 58.380 -9.880 -0.148 574 3HD1 LEU 78 3HD1 LEU 78 59.439 -9.189 -1.378 575 1HD2 LEU 78 1HD2 LEU 78 56.605 -7.895 0.592 576 2HD2 LEU 78 2HD2 LEU 78 56.952 -6.639 -0.597 577 3HD2 LEU 78 3HD2 LEU 78 56.929 -8.333 -1.086 578 H VAL 79 H VAL 79 60.220 -5.456 3.851 579 HA VAL 79 HA VAL 79 58.171 -5.962 5.876 580 HB VAL 79 HB VAL 79 61.011 -4.920 5.839 581 1HG1 VAL 79 1HG1 VAL 79 59.031 -4.516 7.870 582 2HG1 VAL 79 2HG1 VAL 79 60.206 -5.687 8.467 583 3HG1 VAL 79 3HG1 VAL 79 60.745 -4.100 7.918 584 1HG2 VAL 79 1HG2 VAL 79 60.265 -7.411 5.471 585 2HG2 VAL 79 2HG2 VAL 79 61.596 -7.066 6.575 586 3HG2 VAL 79 3HG2 VAL 79 59.985 -7.393 7.212 587 H MET 80 H MET 80 59.857 -3.078 4.601 588 HA MET 80 HA MET 80 58.752 -1.093 6.258 589 1HB MET 80 1HB MET 80 60.180 -1.336 3.802 590 2HB MET 80 2HB MET 80 58.857 -0.200 3.527 591 1HG MET 80 1HG MET 80 59.793 0.564 6.011 592 2HG MET 80 2HG MET 80 61.273 0.110 5.167 593 1HE MET 80 1HE MET 80 61.135 0.311 2.659 594 2HE MET 80 2HE MET 80 60.601 1.730 1.761 595 3HE MET 80 3HE MET 80 62.105 1.791 2.679 596 H MET 81 H MET 81 57.229 -2.966 3.726 597 HA MET 81 HA MET 81 54.938 -1.181 3.386 598 1HB MET 81 1HB MET 81 56.042 -3.681 2.317 599 2HB MET 81 2HB MET 81 54.280 -3.695 2.418 600 1HG MET 81 1HG MET 81 54.960 -2.786 0.255 601 2HG MET 81 2HG MET 81 54.229 -1.508 1.224 602 1HE MET 81 1HE MET 81 54.933 -0.173 -0.400 603 2HE MET 81 2HE MET 81 56.127 0.999 0.151 604 3HE MET 81 3HE MET 81 56.525 -0.128 -1.153 605 H VAL 82 H VAL 82 55.650 -4.137 5.230 606 HA VAL 82 HA VAL 82 52.959 -4.659 6.104 607 HB VAL 82 HB VAL 82 55.523 -5.286 7.585 608 1HG1 VAL 82 1HG1 VAL 82 52.803 -6.568 7.296 609 2HG1 VAL 82 2HG1 VAL 82 54.196 -7.479 7.879 610 3HG1 VAL 82 3HG1 VAL 82 53.626 -6.070 8.775 611 1HG2 VAL 82 1HG2 VAL 82 54.745 -5.992 4.861 612 2HG2 VAL 82 2HG2 VAL 82 56.280 -6.260 5.690 613 3HG2 VAL 82 3HG2 VAL 82 54.965 -7.421 5.871 614 H ARG 83 H ARG 83 55.530 -2.566 7.323 615 HA ARG 83 HA ARG 83 54.525 -2.052 9.934 616 1HB ARG 83 1HB ARG 83 56.297 -0.748 7.922 617 2HB ARG 83 2HB ARG 83 55.740 0.258 9.260 618 1HG ARG 83 1HG ARG 83 56.548 -1.475 10.858 619 2HG ARG 83 2HG ARG 83 57.180 -2.402 9.497 620 1HD ARG 83 1HD ARG 83 59.095 -1.209 9.971 621 2HD ARG 83 2HD ARG 83 58.297 0.030 8.980 622 HE ARG 83 HE ARG 83 58.795 0.319 11.753 623 1HH1 ARG 83 1HH2 ARG 83 57.770 2.547 10.071 624 2HH1 ARG 83 2HH2 ARG 83 56.189 2.816 10.728 625 1HH2 ARG 83 1HH1 ARG 83 56.066 -0.233 12.376 626 2HH2 ARG 83 2HH1 ARG 83 55.224 1.241 12.032 627 H CYS 84 H CYS 84 53.336 -1.065 6.822 628 HA CYS 84 HA CYS 84 51.454 0.852 8.164 629 1HB CYS 84 1HB CYS 84 51.568 2.163 6.131 630 2HB CYS 84 2HB CYS 84 53.222 1.799 6.620 631 HG CYS 84 HG CYS 84 53.331 -0.034 4.770 632 H MET 85 H MET 85 50.824 -1.905 7.996 633 HA MET 85 HA MET 85 49.060 -2.217 5.624 634 1HB MET 85 1HB MET 85 50.608 -3.886 7.354 635 2HB MET 85 2HB MET 85 48.920 -4.376 7.507 636 1HG MET 85 1HG MET 85 50.505 -4.133 4.934 637 2HG MET 85 2HG MET 85 49.923 -5.622 5.676 638 1HE MET 85 1HE MET 85 49.796 -3.642 3.098 639 2HE MET 85 2HE MET 85 48.903 -5.027 2.476 640 3HE MET 85 3HE MET 85 48.167 -3.419 2.467 641 H LYS 86 H LYS 86 48.882 -1.080 8.825 642 HA LYS 86 HA LYS 86 47.061 -0.728 10.309 643 1HB LYS 86 1HB LYS 86 46.761 0.479 7.885 644 2HB LYS 86 2HB LYS 86 45.271 -0.463 7.958 645 1HG LYS 86 1HG LYS 86 44.644 1.524 9.023 646 2HG LYS 86 2HG LYS 86 45.088 0.497 10.387 647 1HD LYS 86 1HD LYS 86 46.906 1.760 10.904 648 2HD LYS 86 2HD LYS 86 47.342 1.990 9.210 649 1HE LYS 86 1HE LYS 86 44.854 3.369 9.832 650 2HE LYS 86 2HE LYS 86 46.179 3.917 10.878 651 1HZ LYS 86 1HZ LYS 86 46.637 3.482 7.999 652 2HZ LYS 86 2HZ LYS 86 45.956 4.941 8.534 653 3HZ LYS 86 3HZ LYS 86 47.495 4.472 9.079 654 H ASP 87 H ASP 87 47.495 -3.542 9.574 655 HA ASP 87 HA ASP 87 45.033 -4.853 8.880 656 1HB ASP 87 1HB ASP 87 47.740 -5.469 9.770 657 2HB ASP 87 2HB ASP 87 46.560 -6.566 10.489 658 H ASP 88 H ASP 88 46.617 -4.415 12.071 659 HA ASP 88 HA ASP 88 44.343 -5.418 13.563 660 1HB ASP 88 1HB ASP 88 46.894 -5.212 14.122 661 2HB ASP 88 2HB ASP 88 46.475 -3.576 14.631 662 H SER 89 H SER 89 42.971 -3.757 12.073 663 HA SER 89 HA SER 89 42.614 -1.257 13.696 664 1HB SER 89 1HB SER 89 43.112 -0.216 11.748 665 2HB SER 89 2HB SER 89 43.120 -1.747 10.878 666 HG SER 89 HG SER 89 41.456 -0.617 10.023 667 1H ARG 1 1H ARG 1 58.425 6.525 7.063 668 2H ARG 1 2H ARG 1 58.307 6.727 8.746 669 3H ARG 1 3H ARG 1 57.779 5.283 8.022 670 HA ARG 1 HA ARG 1 55.758 6.299 8.261 671 1HB ARG 1 1HB ARG 1 57.575 8.674 8.255 672 2HB ARG 1 2HB ARG 1 55.874 8.947 7.880 673 1HG ARG 1 1HG ARG 1 55.469 8.927 10.097 674 2HG ARG 1 2HG ARG 1 55.857 7.207 10.081 675 1HD ARG 1 1HD ARG 1 58.365 8.148 10.160 676 2HD ARG 1 2HD ARG 1 57.547 9.517 10.941 677 HE ARG 1 HE ARG 1 56.395 7.504 12.284 678 1HH1 ARG 1 1HH1 ARG 1 58.838 5.942 11.050 679 2HH1 ARG 1 2HH1 ARG 1 59.863 5.879 12.445 680 1HH2 ARG 1 1HH2 ARG 1 58.068 8.272 14.200 681 2HH2 ARG 1 2HH2 ARG 1 59.428 7.198 14.227 682 H ILE 2 H ILE 2 55.629 5.082 6.167 683 HA ILE 2 HA ILE 2 55.456 6.949 3.821 684 HB ILE 2 HB ILE 2 56.307 4.040 3.997 685 1HG1 ILE 2 1HG1 ILE 2 57.892 6.445 3.060 686 2HG1 ILE 2 2HG1 ILE 2 57.920 5.884 4.733 687 1HG2 ILE 2 1HG2 ILE 2 55.916 5.888 1.627 688 2HG2 ILE 2 2HG2 ILE 2 56.832 4.383 1.544 689 3HG2 ILE 2 3HG2 ILE 2 55.111 4.347 1.926 690 1HD1 ILE 2 1HD1 ILE 2 58.350 3.540 3.421 691 2HD1 ILE 2 2HD1 ILE 2 59.128 4.674 2.316 692 3HD1 ILE 2 3HD1 ILE 2 59.648 4.586 3.999 693 H SER 3 H SER 3 53.424 7.029 2.934 694 HA SER 3 HA SER 3 51.217 5.525 4.011 695 1HB SER 3 1HB SER 3 51.501 7.830 2.678 696 2HB SER 3 2HB SER 3 51.119 6.795 1.305 697 HG SER 3 HG SER 3 49.376 6.051 2.942 698 H ALA 4 H ALA 4 49.837 4.874 1.558 699 HA ALA 4 HA ALA 4 51.508 2.689 0.386 700 1HB ALA 4 1HB ALA 4 50.211 1.820 2.303 701 2HB ALA 4 2HB ALA 4 48.727 2.440 1.580 702 3HB ALA 4 3HB ALA 4 49.617 1.140 0.789 703 H ASP 5 H ASP 5 48.250 4.189 0.259 704 HA ASP 5 HA ASP 5 47.854 3.556 -2.544 705 1HB ASP 5 1HB ASP 5 46.227 4.097 -0.532 706 2HB ASP 5 2HB ASP 5 46.441 5.761 -1.075 707 H ALA 6 H ALA 6 49.041 6.390 -0.768 708 HA ALA 6 HA ALA 6 49.057 8.186 -3.040 709 1HB ALA 6 1HB ALA 6 49.388 8.317 -0.298 710 2HB ALA 6 2HB ALA 6 51.021 8.628 -0.894 711 3HB ALA 6 3HB ALA 6 49.681 9.651 -1.414 712 H MET 7 H MET 7 51.467 6.021 -1.565 713 HA MET 7 HA MET 7 53.814 6.771 -2.867 714 1HB MET 7 1HB MET 7 52.971 4.725 -1.286 715 2HB MET 7 2HB MET 7 53.192 3.870 -2.813 716 1HG MET 7 1HG MET 7 55.406 5.662 -2.401 717 2HG MET 7 2HG MET 7 55.199 4.652 -0.970 718 1HE MET 7 1HE MET 7 56.295 5.329 -4.120 719 2HE MET 7 2HE MET 7 57.692 4.277 -3.904 720 3HE MET 7 3HE MET 7 56.480 3.879 -5.118 721 H MET 8 H MET 8 51.268 4.604 -4.150 722 HA MET 8 HA MET 8 52.579 4.323 -6.742 723 1HB MET 8 1HB MET 8 50.129 3.424 -5.327 724 2HB MET 8 2HB MET 8 50.017 3.481 -7.086 725 1HG MET 8 1HG MET 8 50.960 1.407 -6.962 726 2HG MET 8 2HG MET 8 52.460 2.318 -6.783 727 1HE MET 8 1HE MET 8 53.368 3.157 -4.657 728 2HE MET 8 2HE MET 8 53.592 2.019 -3.321 729 3HE MET 8 3HE MET 8 54.095 1.580 -4.951 730 H GLN 9 H GLN 9 50.258 6.535 -5.329 731 HA GLN 9 HA GLN 9 49.191 7.513 -7.862 732 1HB GLN 9 1HB GLN 9 48.277 7.525 -5.386 733 2HB GLN 9 2HB GLN 9 49.176 9.040 -5.275 734 1HG GLN 9 1HG GLN 9 47.838 10.111 -6.839 735 2HG GLN 9 2HG GLN 9 47.385 8.605 -7.636 736 1HE2 GLN 9 2HE2 GLN 9 45.088 8.827 -7.422 737 2HE2 GLN 9 1HE2 GLN 9 44.303 8.844 -5.918 738 H ALA 10 H ALA 10 51.888 8.373 -5.755 739 HA ALA 10 HA ALA 10 52.369 10.978 -6.967 740 1HB ALA 10 1HB ALA 10 53.452 9.220 -4.890 741 2HB ALA 10 2HB ALA 10 54.713 10.096 -5.758 742 3HB ALA 10 3HB ALA 10 53.417 10.982 -4.956 743 H LEU 11 H LEU 11 54.165 7.868 -7.128 744 HA LEU 11 HA LEU 11 55.037 8.650 -9.887 745 1HB LEU 11 1HB LEU 11 57.279 7.841 -9.296 746 2HB LEU 11 2HB LEU 11 56.774 9.088 -8.156 747 HG LEU 11 HG LEU 11 56.110 6.257 -7.481 748 1HD1 LEU 11 1HD1 LEU 11 58.595 6.558 -8.328 749 2HD1 LEU 11 2HD1 LEU 11 58.820 7.316 -6.752 750 3HD1 LEU 11 3HD1 LEU 11 58.266 5.645 -6.854 751 1HD2 LEU 11 1HD2 LEU 11 56.469 8.871 -6.165 752 2HD2 LEU 11 2HD2 LEU 11 55.461 7.504 -5.692 753 3HD2 LEU 11 3HD2 LEU 11 57.176 7.520 -5.277 754 H LEU 12 H LEU 12 56.698 6.143 -9.883 755 HA LEU 12 HA LEU 12 56.433 3.874 -10.491 756 1HB LEU 12 1HB LEU 12 54.470 4.492 -8.366 757 2HB LEU 12 2HB LEU 12 54.099 3.054 -9.316 758 HG LEU 12 HG LEU 12 56.355 2.169 -8.876 759 1HD1 LEU 12 1HD1 LEU 12 57.340 4.526 -8.643 760 2HD1 LEU 12 2HD1 LEU 12 56.729 4.502 -6.989 761 3HD1 LEU 12 3HD1 LEU 12 57.930 3.317 -7.503 762 1HD2 LEU 12 1HD2 LEU 12 54.342 1.921 -7.250 763 2HD2 LEU 12 2HD2 LEU 12 55.946 1.505 -6.646 764 3HD2 LEU 12 3HD2 LEU 12 55.220 3.055 -6.224 765 H GLY 13 H GLY 13 55.158 6.100 -12.094 766 1HA GLY 13 1HA GLY 13 53.891 6.175 -14.075 767 2HA GLY 13 2HA GLY 13 53.695 4.427 -13.942 768 H ALA 14 H ALA 14 51.948 7.191 -14.027 769 HA ALA 14 HA ALA 14 49.574 5.890 -12.895 770 1HB ALA 14 1HB ALA 14 51.256 7.401 -11.236 771 2HB ALA 14 2HB ALA 14 49.917 8.484 -11.616 772 3HB ALA 14 3HB ALA 14 49.600 6.914 -10.876 773 H ARG 15 H ARG 15 50.772 9.200 -13.608 774 HA ARG 15 HA ARG 15 49.729 10.926 -14.864 775 1HB ARG 15 1HB ARG 15 50.742 9.234 -16.469 776 2HB ARG 15 2HB ARG 15 49.126 8.545 -16.642 777 1HG ARG 15 1HG ARG 15 48.257 10.576 -17.560 778 2HG ARG 15 2HG ARG 15 49.708 11.476 -17.116 779 1HD ARG 15 1HD ARG 15 50.434 11.042 -19.230 780 2HD ARG 15 2HD ARG 15 50.686 9.375 -18.677 781 HE ARG 15 HE ARG 15 47.972 9.485 -19.235 782 1HH1 ARG 15 1HH1 ARG 15 50.605 8.424 -20.794 783 2HH1 ARG 15 2HH1 ARG 15 50.092 8.801 -22.405 784 1HH2 ARG 15 1HH2 ARG 15 47.408 10.742 -21.379 785 2HH2 ARG 15 2HH2 ARG 15 48.281 10.114 -22.736 786 H ALA 16 H ALA 16 47.981 9.924 -12.852 787 HA ALA 16 HA ALA 16 45.351 9.620 -14.231 788 1HB ALA 16 1HB ALA 16 46.631 8.653 -11.811 789 2HB ALA 16 2HB ALA 16 45.086 9.415 -11.434 790 3HB ALA 16 3HB ALA 16 45.154 8.081 -12.586 791 H LYS 17 H LYS 17 43.520 10.803 -12.928 792 HA LYS 17 HA LYS 17 44.326 13.655 -12.693 793 1HB LYS 17 1HB LYS 17 41.710 12.151 -12.949 794 2HB LYS 17 2HB LYS 17 41.785 13.898 -12.724 795 1HG LYS 17 1HG LYS 17 43.253 12.459 -14.946 796 2HG LYS 17 2HG LYS 17 41.635 13.137 -15.143 797 1HD LYS 17 1HD LYS 17 42.446 15.233 -15.340 798 2HD LYS 17 2HD LYS 17 43.454 15.045 -13.904 799 1HE LYS 17 1HE LYS 17 45.166 13.870 -15.236 800 2HE LYS 17 2HE LYS 17 44.154 14.035 -16.685 801 1HZ LYS 17 1HZ LYS 17 44.797 16.392 -15.037 802 2HZ LYS 17 2HZ LYS 17 45.904 15.844 -16.203 803 3HZ LYS 17 3HZ LYS 17 44.344 16.326 -16.669 Start of MODEL 21 1 1H MET 1 1H MET 1 59.511 -8.058 19.865 2 2H MET 1 2H MET 1 60.617 -8.792 20.925 3 3H MET 1 3H MET 1 61.101 -7.471 19.978 4 HA MET 1 HA MET 1 61.991 -9.185 18.751 5 1HB MET 1 1HB MET 1 60.252 -10.582 20.464 6 2HB MET 1 2HB MET 1 59.772 -11.062 18.834 7 1HG MET 1 1HG MET 1 61.511 -12.502 18.893 8 2HG MET 1 2HG MET 1 62.548 -11.086 18.720 9 1HE MET 1 1HE MET 1 63.913 -12.925 19.413 10 2HE MET 1 2HE MET 1 64.825 -12.188 20.737 11 3HE MET 1 3HE MET 1 63.977 -13.711 20.988 12 H ASP 2 H ASP 2 61.546 -9.822 16.506 13 HA ASP 2 HA ASP 2 59.119 -8.459 15.381 14 1HB ASP 2 1HB ASP 2 61.808 -8.981 14.077 15 2HB ASP 2 2HB ASP 2 60.523 -7.930 13.479 16 H ASP 3 H ASP 3 58.301 -10.837 15.969 17 HA ASP 3 HA ASP 3 58.901 -12.650 13.654 18 1HB ASP 3 1HB ASP 3 58.105 -13.090 16.536 19 2HB ASP 3 2HB ASP 3 57.956 -14.372 15.335 20 H ILE 4 H ILE 4 56.630 -10.480 14.718 21 HA ILE 4 HA ILE 4 54.227 -12.066 14.043 22 HB ILE 4 HB ILE 4 54.450 -9.100 14.599 23 1HG1 ILE 4 1HG1 ILE 4 54.387 -11.396 16.586 24 2HG1 ILE 4 2HG1 ILE 4 55.715 -10.258 16.350 25 1HG2 ILE 4 1HG2 ILE 4 52.318 -11.171 14.558 26 2HG2 ILE 4 2HG2 ILE 4 52.226 -9.982 15.857 27 3HG2 ILE 4 3HG2 ILE 4 52.225 -9.452 14.175 28 1HD1 ILE 4 1HD1 ILE 4 52.930 -9.340 17.081 29 2HD1 ILE 4 2HD1 ILE 4 54.126 -9.765 18.305 30 3HD1 ILE 4 3HD1 ILE 4 54.438 -8.433 17.192 31 H TYR 5 H TYR 5 56.554 -10.280 12.348 32 HA TYR 5 HA TYR 5 54.636 -9.425 10.228 33 1HB TYR 5 1HB TYR 5 57.561 -8.857 10.797 34 2HB TYR 5 2HB TYR 5 56.680 -8.198 9.416 35 HD1 TYR 5 HD1 TYR 5 54.849 -6.581 9.739 36 HD2 TYR 5 HD2 TYR 5 57.133 -8.076 13.054 37 HE1 TYR 5 HE1 TYR 5 53.959 -4.762 11.172 38 HE2 TYR 5 HE2 TYR 5 56.243 -6.257 14.487 39 HH TYR 5 HH TYR 5 55.277 -4.029 14.236 40 H LYS 6 H LYS 6 57.673 -11.277 10.635 41 HA LYS 6 HA LYS 6 58.207 -12.136 8.065 42 1HB LYS 6 1HB LYS 6 58.880 -14.314 9.257 43 2HB LYS 6 2HB LYS 6 59.570 -12.825 9.903 44 1HG LYS 6 1HG LYS 6 58.427 -13.000 11.859 45 2HG LYS 6 2HG LYS 6 56.953 -13.541 11.055 46 1HD LYS 6 1HD LYS 6 59.321 -15.383 11.192 47 2HD LYS 6 2HD LYS 6 58.269 -15.212 12.598 48 1HE LYS 6 1HE LYS 6 56.807 -15.560 10.058 49 2HE LYS 6 2HE LYS 6 57.787 -16.960 10.536 50 1HZ LYS 6 1HZ LYS 6 56.854 -16.688 12.809 51 2HZ LYS 6 2HZ LYS 6 55.779 -15.527 12.190 52 3HZ LYS 6 3HZ LYS 6 55.701 -17.136 11.649 53 H ALA 7 H ALA 7 55.461 -13.024 10.059 54 HA ALA 7 HA ALA 7 54.630 -15.268 8.365 55 1HB ALA 7 1HB ALA 7 53.969 -14.024 10.899 56 2HB ALA 7 2HB ALA 7 52.503 -14.343 9.971 57 3HB ALA 7 3HB ALA 7 53.614 -15.660 10.346 58 H ALA 8 H ALA 8 53.907 -11.823 8.647 59 HA ALA 8 HA ALA 8 51.555 -11.855 6.947 60 1HB ALA 8 1HB ALA 8 53.241 -9.990 8.430 61 2HB ALA 8 2HB ALA 8 52.723 -9.312 6.886 62 3HB ALA 8 3HB ALA 8 51.523 -9.875 8.050 63 H VAL 9 H VAL 9 55.030 -11.421 6.402 64 HA VAL 9 HA VAL 9 54.922 -10.439 3.720 65 HB VAL 9 HB VAL 9 56.978 -12.253 5.019 66 1HG1 VAL 9 1HG1 VAL 9 56.919 -10.434 2.642 67 2HG1 VAL 9 2HG1 VAL 9 58.417 -10.550 3.567 68 3HG1 VAL 9 3HG1 VAL 9 57.716 -11.996 2.837 69 1HG2 VAL 9 1HG2 VAL 9 56.221 -9.404 5.473 70 2HG2 VAL 9 2HG2 VAL 9 56.899 -10.579 6.601 71 3HG2 VAL 9 3HG2 VAL 9 57.944 -9.778 5.427 72 H GLU 10 H GLU 10 55.442 -13.795 4.886 73 HA GLU 10 HA GLU 10 55.426 -15.096 2.381 74 1HB GLU 10 1HB GLU 10 54.860 -15.752 5.230 75 2HB GLU 10 2HB GLU 10 54.312 -16.927 4.034 76 1HG GLU 10 1HG GLU 10 56.554 -17.094 3.101 77 2HG GLU 10 2HG GLU 10 57.130 -15.819 4.175 78 H GLN 11 H GLN 11 52.815 -13.587 4.096 79 HA GLN 11 HA GLN 11 50.734 -15.053 2.569 80 1HB GLN 11 1HB GLN 11 50.992 -13.549 5.042 81 2HB GLN 11 2HB GLN 11 49.616 -12.977 4.098 82 1HG GLN 11 1HG GLN 11 49.036 -14.861 5.646 83 2HG GLN 11 2HG GLN 11 48.714 -15.227 3.950 84 1HE2 GLN 11 2HE2 GLN 11 51.796 -15.296 5.826 85 2HE2 GLN 11 1HE2 GLN 11 52.151 -16.916 5.462 86 H LEU 12 H LEU 12 52.454 -13.500 0.927 87 HA LEU 12 HA LEU 12 50.784 -11.103 0.258 88 1HB LEU 12 1HB LEU 12 53.677 -11.878 -0.174 89 2HB LEU 12 2HB LEU 12 52.943 -10.507 -1.007 90 HG LEU 12 HG LEU 12 52.920 -10.845 2.004 91 1HD1 LEU 12 1HD1 LEU 12 54.759 -9.207 0.230 92 2HD1 LEU 12 2HD1 LEU 12 54.684 -9.088 1.988 93 3HD1 LEU 12 3HD1 LEU 12 55.229 -10.583 1.228 94 1HD2 LEU 12 1HD2 LEU 12 52.023 -8.744 0.049 95 2HD2 LEU 12 2HD2 LEU 12 51.190 -9.364 1.475 96 3HD2 LEU 12 3HD2 LEU 12 52.551 -8.257 1.659 97 H THR 13 H THR 13 49.228 -12.332 -1.020 98 HA THR 13 HA THR 13 49.712 -14.251 -2.992 99 HB THR 13 HB THR 13 47.631 -13.308 -4.023 100 HG1 THR 13 HG1 THR 13 46.813 -11.469 -2.654 101 1HG2 THR 13 1HG2 THR 13 47.805 -14.652 -1.766 102 2HG2 THR 13 2HG2 THR 13 47.287 -13.126 -1.050 103 3HG2 THR 13 3HG2 THR 13 46.268 -13.930 -2.243 104 H GLU 14 H GLU 14 50.430 -14.178 -5.146 105 HA GLU 14 HA GLU 14 52.365 -12.424 -6.035 106 1HB GLU 14 1HB GLU 14 51.647 -13.158 -8.326 107 2HB GLU 14 2HB GLU 14 51.742 -14.491 -7.173 108 1HG GLU 14 1HG GLU 14 49.305 -14.322 -6.785 109 2HG GLU 14 2HG GLU 14 49.215 -13.011 -7.962 110 H GLU 15 H GLU 15 48.841 -12.003 -6.395 111 HA GLU 15 HA GLU 15 48.821 -9.689 -8.026 112 1HB GLU 15 1HB GLU 15 46.820 -10.931 -7.495 113 2HB GLU 15 2HB GLU 15 47.042 -10.652 -5.768 114 1HG GLU 15 1HG GLU 15 45.775 -8.803 -5.966 115 2HG GLU 15 2HG GLU 15 47.051 -8.096 -6.958 116 H GLN 16 H GLN 16 48.925 -9.927 -4.458 117 HA GLN 16 HA GLN 16 49.173 -7.045 -4.088 118 1HB GLN 16 1HB GLN 16 48.157 -8.226 -2.330 119 2HB GLN 16 2HB GLN 16 49.318 -9.549 -2.423 120 1HG GLN 16 1HG GLN 16 51.075 -8.098 -1.514 121 2HG GLN 16 2HG GLN 16 49.946 -6.742 -1.460 122 1HE2 GLN 16 2HE2 GLN 16 49.448 -6.439 0.728 123 2HE2 GLN 16 1HE2 GLN 16 48.993 -7.678 1.796 124 H LYS 17 H LYS 17 51.383 -9.754 -4.456 125 HA LYS 17 HA LYS 17 53.750 -8.402 -3.466 126 1HB LYS 17 1HB LYS 17 53.884 -10.725 -3.436 127 2HB LYS 17 2HB LYS 17 53.025 -10.894 -4.965 128 1HG LYS 17 1HG LYS 17 55.711 -9.566 -4.978 129 2HG LYS 17 2HG LYS 17 55.639 -11.322 -4.833 130 1HD LYS 17 1HD LYS 17 53.787 -10.510 -6.861 131 2HD LYS 17 2HD LYS 17 55.345 -9.750 -7.193 132 1HE LYS 17 1HE LYS 17 56.444 -11.798 -7.447 133 2HE LYS 17 2HE LYS 17 55.261 -12.669 -6.450 134 1HZ LYS 17 1HZ LYS 17 54.276 -11.316 -8.846 135 2HZ LYS 17 2HZ LYS 17 55.169 -12.739 -9.080 136 3HZ LYS 17 3HZ LYS 17 53.759 -12.769 -8.132 137 H ASN 18 H ASN 18 52.049 -8.481 -6.529 138 HA ASN 18 HA ASN 18 54.271 -7.559 -8.165 139 1HB ASN 18 1HB ASN 18 51.268 -7.750 -8.437 140 2HB ASN 18 2HB ASN 18 52.261 -7.054 -9.718 141 1HD2 ASN 18 2HD2 ASN 18 50.733 -9.602 -9.850 142 2HD2 ASN 18 1HD2 ASN 18 51.877 -10.822 -10.143 143 H GLU 19 H GLU 19 51.892 -6.009 -6.117 144 HA GLU 19 HA GLU 19 52.145 -3.357 -7.304 145 1HB GLU 19 1HB GLU 19 50.434 -4.677 -5.581 146 2HB GLU 19 2HB GLU 19 51.295 -3.581 -4.498 147 1HG GLU 19 1HG GLU 19 50.684 -1.665 -5.825 148 2HG GLU 19 2HG GLU 19 50.031 -2.692 -7.102 149 H PHE 20 H PHE 20 53.242 -4.724 -4.168 150 HA PHE 20 HA PHE 20 54.786 -2.587 -3.241 151 1HB PHE 20 1HB PHE 20 55.018 -5.589 -3.092 152 2HB PHE 20 2HB PHE 20 56.203 -4.564 -2.280 153 HD1 PHE 20 HD1 PHE 20 55.176 -2.582 -0.850 154 HD2 PHE 20 HD2 PHE 20 53.066 -6.162 -1.939 155 HE1 PHE 20 HE1 PHE 20 53.592 -2.217 1.022 156 HE2 PHE 20 HE2 PHE 20 51.481 -5.797 -0.067 157 HZ PHE 20 HZ PHE 20 51.743 -3.824 1.413 158 H LYS 21 H LYS 21 55.848 -5.218 -5.427 159 HA LYS 21 HA LYS 21 58.533 -4.540 -5.792 160 1HB LYS 21 1HB LYS 21 56.419 -5.976 -7.169 161 2HB LYS 21 2HB LYS 21 57.499 -5.202 -8.330 162 1HG LYS 21 1HG LYS 21 58.657 -6.704 -5.999 163 2HG LYS 21 2HG LYS 21 58.096 -7.590 -7.417 164 1HD LYS 21 1HD LYS 21 59.684 -6.614 -8.822 165 2HD LYS 21 2HD LYS 21 59.889 -5.208 -7.778 166 1HE LYS 21 1HE LYS 21 60.983 -6.672 -6.070 167 2HE LYS 21 2HE LYS 21 60.868 -8.028 -7.209 168 1HZ LYS 21 1HZ LYS 21 61.895 -6.297 -8.839 169 2HZ LYS 21 2HZ LYS 21 62.453 -5.561 -7.417 170 3HZ LYS 21 3HZ LYS 21 62.901 -7.160 -7.777 171 H ALA 22 H ALA 22 55.665 -2.928 -7.075 172 HA ALA 22 HA ALA 22 56.855 -1.312 -9.082 173 1HB ALA 22 1HB ALA 22 54.377 -1.726 -8.087 174 2HB ALA 22 2HB ALA 22 54.733 -0.171 -7.331 175 3HB ALA 22 3HB ALA 22 54.771 -0.328 -9.087 176 H ALA 23 H ALA 23 56.015 -0.253 -5.754 177 HA ALA 23 HA ALA 23 57.449 2.177 -5.777 178 1HB ALA 23 1HB ALA 23 56.113 0.420 -3.925 179 2HB ALA 23 2HB ALA 23 57.595 1.023 -3.183 180 3HB ALA 23 3HB ALA 23 56.385 2.157 -3.784 181 H PHE 24 H PHE 24 58.558 -1.110 -5.010 182 HA PHE 24 HA PHE 24 61.147 -0.495 -4.010 183 1HB PHE 24 1HB PHE 24 60.304 -2.702 -3.792 184 2HB PHE 24 2HB PHE 24 59.897 -2.803 -5.505 185 HD1 PHE 24 HD1 PHE 24 61.803 -2.793 -7.212 186 HD2 PHE 24 HD2 PHE 24 62.423 -3.412 -3.007 187 HE1 PHE 24 HE1 PHE 24 64.023 -3.791 -7.688 188 HE2 PHE 24 HE2 PHE 24 64.644 -4.411 -3.483 189 HZ PHE 24 HZ PHE 24 65.444 -4.599 -5.822 190 H ASP 25 H ASP 25 59.996 -0.920 -7.357 191 HA ASP 25 HA ASP 25 62.544 -0.832 -8.646 192 1HB ASP 25 1HB ASP 25 60.126 -1.428 -9.453 193 2HB ASP 25 2HB ASP 25 60.005 0.295 -9.810 194 H ILE 26 H ILE 26 60.135 1.804 -8.239 195 HA ILE 26 HA ILE 26 61.728 3.903 -9.289 196 HB ILE 26 HB ILE 26 59.555 3.787 -7.178 197 1HG1 ILE 26 1HG1 ILE 26 58.441 5.001 -9.283 198 2HG1 ILE 26 2HG1 ILE 26 59.698 4.115 -10.146 199 1HG2 ILE 26 1HG2 ILE 26 61.246 5.884 -7.318 200 2HG2 ILE 26 2HG2 ILE 26 60.147 6.324 -8.623 201 3HG2 ILE 26 3HG2 ILE 26 59.525 6.079 -6.991 202 1HD1 ILE 26 1HD1 ILE 26 58.254 2.532 -8.117 203 2HD1 ILE 26 2HD1 ILE 26 57.264 3.059 -9.478 204 3HD1 ILE 26 3HD1 ILE 26 58.717 2.101 -9.763 205 H PHE 27 H PHE 27 61.833 2.281 -6.188 206 HA PHE 27 HA PHE 27 63.297 4.294 -4.728 207 1HB PHE 27 1HB PHE 27 62.740 1.346 -4.504 208 2HB PHE 27 2HB PHE 27 63.892 2.098 -3.402 209 HD1 PHE 27 HD1 PHE 27 61.062 3.992 -4.799 210 HD2 PHE 27 HD2 PHE 27 62.482 1.735 -1.431 211 HE1 PHE 27 HE1 PHE 27 59.189 4.858 -3.429 212 HE2 PHE 27 HE2 PHE 27 60.607 2.603 -0.059 213 HZ PHE 27 HZ PHE 27 58.961 4.165 -1.059 214 H VAL 28 H VAL 28 64.419 1.199 -6.168 215 HA VAL 28 HA VAL 28 67.227 2.079 -5.991 216 HB VAL 28 HB VAL 28 67.654 -0.195 -6.752 217 1HG1 VAL 28 1HG1 VAL 28 66.900 0.121 -4.403 218 2HG1 VAL 28 2HG1 VAL 28 65.237 -0.158 -4.920 219 3HG1 VAL 28 3HG1 VAL 28 66.428 -1.452 -5.046 220 1HG2 VAL 28 1HG2 VAL 28 64.692 -0.193 -7.403 221 2HG2 VAL 28 2HG2 VAL 28 66.028 -0.358 -8.542 222 3HG2 VAL 28 3HG2 VAL 28 65.692 -1.646 -7.387 223 H LEU 29 H LEU 29 64.718 1.708 -8.456 224 HA LEU 29 HA LEU 29 64.723 2.288 -10.749 225 1HB LEU 29 1HB LEU 29 65.717 4.332 -9.214 226 2HB LEU 29 2HB LEU 29 67.030 4.101 -10.367 227 HG LEU 29 HG LEU 29 64.675 3.963 -11.897 228 1HD1 LEU 29 1HD1 LEU 29 64.601 6.216 -9.868 229 2HD1 LEU 29 2HD1 LEU 29 63.623 6.171 -11.335 230 3HD1 LEU 29 3HD1 LEU 29 63.392 4.950 -10.084 231 1HD2 LEU 29 1HD2 LEU 29 66.844 6.011 -11.457 232 2HD2 LEU 29 2HD2 LEU 29 66.602 4.941 -12.838 233 3HD2 LEU 29 3HD2 LEU 29 65.533 6.324 -12.595 234 H GLY 30 H GLY 30 67.380 3.265 -11.972 235 1HA GLY 30 1HA GLY 30 68.307 0.615 -12.778 236 2HA GLY 30 2HA GLY 30 68.956 2.154 -13.345 237 H ALA 31 H ALA 31 68.683 0.729 -10.064 238 HA ALA 31 HA ALA 31 71.125 1.790 -9.087 239 1HB ALA 31 1HB ALA 31 69.606 -0.745 -8.384 240 2HB ALA 31 2HB ALA 31 70.826 0.012 -7.359 241 3HB ALA 31 3HB ALA 31 69.319 0.860 -7.709 242 H GLU 32 H GLU 32 72.776 -0.124 -8.184 243 HA GLU 32 HA GLU 32 73.826 -1.413 -10.675 244 1HB GLU 32 1HB GLU 32 75.995 -1.151 -9.623 245 2HB GLU 32 2HB GLU 32 75.136 0.381 -9.461 246 1HG GLU 32 1HG GLU 32 74.348 -0.454 -7.180 247 2HG GLU 32 2HG GLU 32 75.532 -1.750 -7.353 248 H ASP 33 H ASP 33 73.074 -1.961 -7.249 249 HA ASP 33 HA ASP 33 73.619 -4.883 -7.643 250 1HB ASP 33 1HB ASP 33 73.649 -3.006 -5.274 251 2HB ASP 33 2HB ASP 33 73.626 -4.757 -5.060 252 H GLY 34 H GLY 34 71.144 -2.544 -7.169 253 1HA GLY 34 1HA GLY 34 68.799 -3.025 -7.330 254 2HA GLY 34 2HA GLY 34 69.143 -4.710 -6.939 255 H CYS 35 H CYS 35 70.282 -1.873 -5.145 256 HA CYS 35 HA CYS 35 68.520 -2.705 -2.864 257 1HB CYS 35 1HB CYS 35 70.448 -2.424 -1.399 258 2HB CYS 35 2HB CYS 35 70.900 -3.509 -2.713 259 HG CYS 35 HG CYS 35 72.791 -1.849 -2.850 260 H ILE 36 H ILE 36 68.874 -0.806 -1.077 261 HA ILE 36 HA ILE 36 68.556 1.802 -2.533 262 HB ILE 36 HB ILE 36 67.123 0.668 -0.105 263 1HG1 ILE 36 1HG1 ILE 36 66.132 1.360 -2.890 264 2HG1 ILE 36 2HG1 ILE 36 66.432 -0.275 -2.299 265 1HG2 ILE 36 1HG2 ILE 36 67.613 3.228 -0.229 266 2HG2 ILE 36 2HG2 ILE 36 66.418 3.231 -1.525 267 3HG2 ILE 36 3HG2 ILE 36 65.962 2.703 0.096 268 1HD1 ILE 36 1HD1 ILE 36 64.775 0.137 -0.468 269 2HD1 ILE 36 2HD1 ILE 36 64.412 1.702 -1.197 270 3HD1 ILE 36 3HD1 ILE 36 64.058 0.215 -2.078 271 H SER 37 H SER 37 69.259 3.687 -1.315 272 HA SER 37 HA SER 37 70.750 3.305 1.209 273 1HB SER 37 1HB SER 37 71.987 2.895 -1.225 274 2HB SER 37 2HB SER 37 72.365 4.577 -0.872 275 HG SER 37 HG SER 37 73.536 2.466 0.114 276 H THR 38 H THR 38 68.500 4.852 0.548 277 HA THR 38 HA THR 38 67.672 7.024 0.998 278 HB THR 38 HB THR 38 69.058 8.470 2.186 279 HG1 THR 38 HG1 THR 38 70.947 9.057 1.483 280 1HG2 THR 38 1HG2 THR 38 69.387 5.789 2.728 281 2HG2 THR 38 2HG2 THR 38 71.052 6.361 2.612 282 3HG2 THR 38 3HG2 THR 38 69.939 7.110 3.757 283 H LYS 39 H LYS 39 70.804 7.496 -0.721 284 HA LYS 39 HA LYS 39 70.014 9.548 -2.453 285 1HB LYS 39 1HB LYS 39 71.917 7.234 -2.558 286 2HB LYS 39 2HB LYS 39 71.665 8.161 -4.038 287 1HG LYS 39 1HG LYS 39 72.047 9.811 -1.624 288 2HG LYS 39 2HG LYS 39 73.453 8.846 -2.077 289 1HD LYS 39 1HD LYS 39 73.790 10.002 -4.024 290 2HD LYS 39 2HD LYS 39 72.065 10.246 -4.298 291 1HE LYS 39 1HE LYS 39 73.111 11.652 -1.918 292 2HE LYS 39 2HE LYS 39 73.762 12.231 -3.465 293 1HZ LYS 39 1HZ LYS 39 71.421 12.169 -4.308 294 2HZ LYS 39 2HZ LYS 39 70.910 11.924 -2.706 295 3HZ LYS 39 3HZ LYS 39 71.716 13.355 -3.127 296 H GLU 40 H GLU 40 69.333 6.091 -2.620 297 HA GLU 40 HA GLU 40 67.956 6.317 -5.228 298 1HB GLU 40 1HB GLU 40 68.347 4.066 -3.223 299 2HB GLU 40 2HB GLU 40 67.648 3.869 -4.828 300 1HG GLU 40 1HG GLU 40 69.819 3.368 -5.356 301 2HG GLU 40 2HG GLU 40 69.919 5.123 -5.521 302 H LEU 41 H LEU 41 67.241 6.032 -1.791 303 HA LEU 41 HA LEU 41 64.389 5.537 -2.111 304 1HB LEU 41 1HB LEU 41 66.048 4.980 -0.190 305 2HB LEU 41 2HB LEU 41 65.808 6.655 0.309 306 HG LEU 41 HG LEU 41 64.236 5.246 1.514 307 1HD1 LEU 41 1HD1 LEU 41 63.557 7.518 0.427 308 2HD1 LEU 41 2HD1 LEU 41 62.586 6.520 -0.659 309 3HD1 LEU 41 3HD1 LEU 41 62.287 6.480 1.079 310 1HD2 LEU 41 1HD2 LEU 41 64.074 3.936 -1.075 311 2HD2 LEU 41 2HD2 LEU 41 63.565 3.342 0.505 312 3HD2 LEU 41 3HD2 LEU 41 62.466 4.325 -0.462 313 H GLY 42 H GLY 42 66.287 8.370 -0.989 314 1HA GLY 42 1HA GLY 42 64.234 10.207 -0.620 315 2HA GLY 42 2HA GLY 42 65.824 10.666 -1.227 316 H LYS 43 H LYS 43 65.632 9.119 -3.683 317 HA LYS 43 HA LYS 43 64.692 10.951 -5.534 318 1HB LYS 43 1HB LYS 43 64.579 7.919 -5.611 319 2HB LYS 43 2HB LYS 43 64.482 8.959 -7.032 320 1HG LYS 43 1HG LYS 43 66.758 9.581 -5.280 321 2HG LYS 43 2HG LYS 43 66.822 7.959 -5.969 322 1HD LYS 43 1HD LYS 43 66.147 10.305 -7.723 323 2HD LYS 43 2HD LYS 43 67.830 9.958 -7.322 324 1HE LYS 43 1HE LYS 43 67.464 7.594 -8.132 325 2HE LYS 43 2HE LYS 43 65.867 8.105 -8.712 326 1HZ LYS 43 1HZ LYS 43 68.063 9.876 -9.384 327 2HZ LYS 43 2HZ LYS 43 68.108 8.360 -10.151 328 3HZ LYS 43 3HZ LYS 43 66.753 9.363 -10.336 329 H VAL 44 H VAL 44 62.762 8.443 -3.883 330 HA VAL 44 HA VAL 44 60.313 9.113 -5.331 331 HB VAL 44 HB VAL 44 61.063 7.409 -2.949 332 1HG1 VAL 44 1HG1 VAL 44 58.448 8.445 -3.679 333 2HG1 VAL 44 2HG1 VAL 44 58.487 6.685 -3.792 334 3HG1 VAL 44 3HG1 VAL 44 58.912 7.481 -2.277 335 1HG2 VAL 44 1HG2 VAL 44 60.833 7.065 -5.830 336 2HG2 VAL 44 2HG2 VAL 44 61.536 5.979 -4.634 337 3HG2 VAL 44 3HG2 VAL 44 59.806 5.922 -4.966 338 H MET 45 H MET 45 61.762 9.955 -2.207 339 HA MET 45 HA MET 45 59.602 11.072 -0.829 340 1HB MET 45 1HB MET 45 62.460 12.052 -1.124 341 2HB MET 45 2HB MET 45 61.364 12.548 0.165 342 1HG MET 45 1HG MET 45 62.324 9.727 -0.396 343 2HG MET 45 2HG MET 45 62.776 10.735 0.979 344 1HE MET 45 1HE MET 45 60.644 8.647 -0.846 345 2HE MET 45 2HE MET 45 59.563 7.897 0.324 346 3HE MET 45 3HE MET 45 59.026 9.312 -0.577 347 H ARG 46 H ARG 46 61.723 12.798 -3.162 348 HA ARG 46 HA ARG 46 60.350 15.275 -3.158 349 1HB ARG 46 1HB ARG 46 62.257 13.780 -4.815 350 2HB ARG 46 2HB ARG 46 61.260 14.892 -5.756 351 1HG ARG 46 1HG ARG 46 61.922 16.381 -3.510 352 2HG ARG 46 2HG ARG 46 63.400 15.478 -3.848 353 1HD ARG 46 1HD ARG 46 63.540 16.350 -6.076 354 2HD ARG 46 2HD ARG 46 61.892 17.004 -5.993 355 HE ARG 46 HE ARG 46 63.939 17.969 -4.051 356 1HH1 ARG 46 1HH2 ARG 46 63.818 19.013 -7.003 357 2HH1 ARG 46 2HH2 ARG 46 62.953 20.493 -6.751 358 1HH2 ARG 46 1HH1 ARG 46 61.915 19.651 -3.551 359 2HH2 ARG 46 2HH1 ARG 46 61.876 20.854 -4.795 360 H MET 47 H MET 47 59.691 12.278 -4.942 361 HA MET 47 HA MET 47 57.601 13.379 -6.619 362 1HB MET 47 1HB MET 47 58.106 10.529 -5.701 363 2HB MET 47 2HB MET 47 57.230 11.024 -7.150 364 1HG MET 47 1HG MET 47 59.593 12.343 -7.504 365 2HG MET 47 2HG MET 47 60.143 10.894 -6.662 366 1HE MET 47 1HE MET 47 57.970 8.977 -7.248 367 2HE MET 47 2HE MET 47 58.268 8.144 -8.771 368 3HE MET 47 3HE MET 47 59.575 8.321 -7.603 369 H LEU 48 H LEU 48 57.669 11.746 -3.461 370 HA LEU 48 HA LEU 48 54.814 11.451 -3.172 371 1HB LEU 48 1HB LEU 48 57.145 11.611 -1.239 372 2HB LEU 48 2HB LEU 48 55.505 11.208 -0.737 373 HG LEU 48 HG LEU 48 57.304 9.660 -2.610 374 1HD1 LEU 48 1HD1 LEU 48 56.933 9.513 0.111 375 2HD1 LEU 48 2HD1 LEU 48 55.769 8.325 -0.479 376 3HD1 LEU 48 3HD1 LEU 48 57.476 8.173 -0.899 377 1HD2 LEU 48 1HD2 LEU 48 54.314 9.612 -2.270 378 2HD2 LEU 48 2HD2 LEU 48 55.263 9.491 -3.750 379 3HD2 LEU 48 3HD2 LEU 48 55.178 8.120 -2.646 380 H GLY 49 H GLY 49 57.087 14.058 -2.456 381 1HA GLY 49 1HA GLY 49 55.955 16.347 -2.615 382 2HA GLY 49 2HA GLY 49 54.796 15.701 -1.455 383 H GLN 50 H GLN 50 58.091 14.711 -1.066 384 HA GLN 50 HA GLN 50 58.579 16.829 0.977 385 1HB GLN 50 1HB GLN 50 57.468 14.491 1.691 386 2HB GLN 50 2HB GLN 50 59.158 13.985 1.684 387 1HG GLN 50 1HG GLN 50 59.702 15.302 3.476 388 2HG GLN 50 2HG GLN 50 58.578 16.580 3.009 389 1HE2 GLN 50 2HE2 GLN 50 56.185 16.061 3.387 390 2HE2 GLN 50 1HE2 GLN 50 55.785 15.078 4.712 391 H ASN 51 H ASN 51 60.929 15.761 2.038 392 HA ASN 51 HA ASN 51 62.745 14.718 0.048 393 1HB ASN 51 1HB ASN 51 63.972 16.965 -0.193 394 2HB ASN 51 2HB ASN 51 62.435 16.817 -1.047 395 1HD2 ASN 51 2HD2 ASN 51 64.120 18.560 1.456 396 2HD2 ASN 51 1HD2 ASN 51 62.823 19.553 1.920 397 HA PRO 52 HA PRO 52 64.188 14.764 4.436 398 1HB PRO 52 1HB PRO 52 64.750 12.089 4.550 399 2HB PRO 52 2HB PRO 52 63.140 12.754 4.895 400 1HG PRO 52 1HG PRO 52 64.149 11.416 2.440 401 2HG PRO 52 2HG PRO 52 62.555 11.326 3.202 402 1HD PRO 52 1HD PRO 52 63.121 12.842 0.987 403 2HD PRO 52 2HD PRO 52 61.795 13.185 2.120 404 H THR 53 H THR 53 66.375 14.946 4.980 405 HA THR 53 HA THR 53 68.363 15.017 2.906 406 HB THR 53 HB THR 53 69.855 15.481 4.805 407 HG1 THR 53 HG1 THR 53 68.776 15.328 6.929 408 1HG2 THR 53 1HG2 THR 53 67.752 16.998 4.060 409 2HG2 THR 53 2HG2 THR 53 67.342 16.742 5.756 410 3HG2 THR 53 3HG2 THR 53 68.882 17.485 5.324 411 HA PRO 54 HA PRO 54 69.871 10.894 2.829 412 1HB PRO 54 1HB PRO 54 72.583 11.257 2.693 413 2HB PRO 54 2HB PRO 54 71.493 11.588 1.331 414 1HG PRO 54 1HG PRO 54 72.720 13.482 3.275 415 2HG PRO 54 2HG PRO 54 72.468 13.660 1.532 416 1HD PRO 54 1HD PRO 54 70.863 14.829 3.386 417 2HD PRO 54 2HD PRO 54 70.287 14.330 1.781 418 H GLU 55 H GLU 55 70.859 13.039 5.364 419 HA GLU 55 HA GLU 55 72.293 11.021 6.940 420 1HB GLU 55 1HB GLU 55 71.137 13.725 7.702 421 2HB GLU 55 2HB GLU 55 72.396 12.842 8.567 422 1HG GLU 55 1HG GLU 55 73.122 13.119 5.783 423 2HG GLU 55 2HG GLU 55 72.756 14.701 6.472 424 H GLU 56 H GLU 56 69.038 12.415 6.818 425 HA GLU 56 HA GLU 56 68.165 10.874 9.190 426 1HB GLU 56 1HB GLU 56 67.199 13.089 7.462 427 2HB GLU 56 2HB GLU 56 65.948 12.072 8.175 428 1HG GLU 56 1HG GLU 56 66.248 13.656 9.856 429 2HG GLU 56 2HG GLU 56 67.359 12.389 10.378 430 H LEU 57 H LEU 57 68.229 10.560 5.744 431 HA LEU 57 HA LEU 57 65.917 8.962 5.274 432 1HB LEU 57 1HB LEU 57 68.522 9.576 4.016 433 2HB LEU 57 2HB LEU 57 67.809 8.041 3.517 434 HG LEU 57 HG LEU 57 66.313 10.677 3.513 435 1HD1 LEU 57 1HD1 LEU 57 68.363 10.280 1.885 436 2HD1 LEU 57 2HD1 LEU 57 67.209 9.258 1.028 437 3HD1 LEU 57 3HD1 LEU 57 66.860 10.970 1.273 438 1HD2 LEU 57 1HD2 LEU 57 65.468 7.980 3.355 439 2HD2 LEU 57 2HD2 LEU 57 64.504 9.421 3.024 440 3HD2 LEU 57 3HD2 LEU 57 65.371 8.619 1.713 441 H GLN 58 H GLN 58 69.208 8.074 6.319 442 HA GLN 58 HA GLN 58 69.223 5.321 6.161 443 1HB GLN 58 1HB GLN 58 70.560 7.350 7.560 444 2HB GLN 58 2HB GLN 58 70.037 6.218 8.808 445 1HG GLN 58 1HG GLN 58 71.644 5.551 6.324 446 2HG GLN 58 2HG GLN 58 72.223 5.524 7.991 447 1HE2 GLN 58 2HE2 GLN 58 71.765 3.300 5.843 448 2HE2 GLN 58 1HE2 GLN 58 70.897 2.115 6.693 449 H GLU 59 H GLU 59 67.388 7.281 8.489 450 HA GLU 59 HA GLU 59 66.531 5.425 10.359 451 1HB GLU 59 1HB GLU 59 65.721 7.939 9.311 452 2HB GLU 59 2HB GLU 59 64.272 6.939 9.410 453 1HG GLU 59 1HG GLU 59 65.408 6.333 11.789 454 2HG GLU 59 2HG GLU 59 66.004 7.981 11.584 455 H MET 60 H MET 60 64.874 6.028 7.232 456 HA MET 60 HA MET 60 63.010 3.895 7.403 457 1HB MET 60 1HB MET 60 64.094 5.771 5.448 458 2HB MET 60 2HB MET 60 63.694 4.222 4.704 459 1HG MET 60 1HG MET 60 61.430 4.337 5.440 460 2HG MET 60 2HG MET 60 61.783 5.662 6.549 461 1HE MET 60 1HE MET 60 61.657 7.990 6.093 462 2HE MET 60 2HE MET 60 60.678 8.565 4.737 463 3HE MET 60 3HE MET 60 60.049 7.326 5.819 464 H ILE 61 H ILE 61 66.403 3.932 6.441 465 HA ILE 61 HA ILE 61 66.394 1.239 5.316 466 HB ILE 61 HB ILE 61 68.719 2.883 6.333 467 1HG1 ILE 61 1HG1 ILE 61 66.738 3.569 4.341 468 2HG1 ILE 61 2HG1 ILE 61 68.116 4.513 4.889 469 1HG2 ILE 61 1HG2 ILE 61 68.937 0.448 5.497 470 2HG2 ILE 61 2HG2 ILE 61 68.586 1.104 3.897 471 3HG2 ILE 61 3HG2 ILE 61 70.011 1.649 4.780 472 1HD1 ILE 61 1HD1 ILE 61 68.295 2.315 2.812 473 2HD1 ILE 61 2HD1 ILE 61 68.132 4.028 2.423 474 3HD1 ILE 61 3HD1 ILE 61 69.568 3.448 3.268 475 H ASP 62 H ASP 62 67.681 2.681 8.341 476 HA ASP 62 HA ASP 62 68.547 0.182 9.475 477 1HB ASP 62 1HB ASP 62 68.645 2.932 10.029 478 2HB ASP 62 2HB ASP 62 67.783 2.227 11.398 479 H GLU 63 H GLU 63 65.416 1.529 9.058 480 HA GLU 63 HA GLU 63 64.104 0.473 11.400 481 1HB GLU 63 1HB GLU 63 63.505 2.090 9.232 482 2HB GLU 63 2HB GLU 63 62.534 0.649 8.922 483 1HG GLU 63 1HG GLU 63 61.910 0.871 11.469 484 2HG GLU 63 2HG GLU 63 62.415 2.546 11.247 485 H VAL 64 H VAL 64 64.951 -0.887 8.254 486 HA VAL 64 HA VAL 64 63.873 -3.526 9.189 487 HB VAL 64 HB VAL 64 63.352 -3.876 6.723 488 1HG1 VAL 64 1HG1 VAL 64 61.967 -2.370 8.718 489 2HG1 VAL 64 2HG1 VAL 64 61.663 -1.612 7.155 490 3HG1 VAL 64 3HG1 VAL 64 61.281 -3.316 7.397 491 1HG2 VAL 64 1HG2 VAL 64 64.943 -1.714 6.330 492 2HG2 VAL 64 2HG2 VAL 64 63.701 -2.215 5.182 493 3HG2 VAL 64 3HG2 VAL 64 63.362 -0.930 6.342 494 H ASP 65 H ASP 65 66.649 -2.004 8.844 495 HA ASP 65 HA ASP 65 68.037 -4.023 7.147 496 1HB ASP 65 1HB ASP 65 68.603 -1.766 6.645 497 2HB ASP 65 2HB ASP 65 68.729 -1.337 8.351 498 H GLU 66 H GLU 66 67.936 -5.813 8.661 499 HA GLU 66 HA GLU 66 69.348 -5.425 11.264 500 1HB GLU 66 1HB GLU 66 67.078 -6.879 10.321 501 2HB GLU 66 2HB GLU 66 68.277 -8.057 10.855 502 1HG GLU 66 1HG GLU 66 68.473 -6.302 12.888 503 2HG GLU 66 2HG GLU 66 66.792 -6.019 12.433 504 H ASP 67 H ASP 67 71.025 -5.373 8.995 505 HA ASP 67 HA ASP 67 72.601 -7.859 9.438 506 1HB ASP 67 1HB ASP 67 72.827 -8.073 6.943 507 2HB ASP 67 2HB ASP 67 71.174 -8.313 7.512 508 H GLY 68 H GLY 68 72.627 -4.683 9.697 509 1HA GLY 68 1HA GLY 68 74.261 -3.003 9.566 510 2HA GLY 68 2HA GLY 68 75.420 -4.327 9.675 511 H SER 69 H SER 69 73.063 -3.558 7.106 512 HA SER 69 HA SER 69 75.304 -3.702 5.139 513 1HB SER 69 1HB SER 69 73.495 -4.123 3.549 514 2HB SER 69 2HB SER 69 73.277 -5.162 4.954 515 HG SER 69 HG SER 69 71.613 -3.953 5.606 516 H GLY 70 H GLY 70 72.608 -1.616 6.174 517 1HA GLY 70 1HA GLY 70 72.685 0.788 6.140 518 2HA GLY 70 2HA GLY 70 74.033 0.703 5.004 519 H THR 71 H THR 71 71.838 -1.496 3.911 520 HA THR 71 HA THR 71 70.352 0.525 2.272 521 HB THR 71 HB THR 71 70.794 -0.978 0.330 522 HG1 THR 71 HG1 THR 71 71.098 -2.872 1.609 523 1HG2 THR 71 1HG2 THR 71 72.987 0.296 1.913 524 2HG2 THR 71 2HG2 THR 71 73.429 -0.660 0.497 525 3HG2 THR 71 3HG2 THR 71 72.354 0.728 0.324 526 H VAL 72 H VAL 72 68.569 -0.815 0.963 527 HA VAL 72 HA VAL 72 67.339 -2.796 2.854 528 HB VAL 72 HB VAL 72 66.176 -0.479 1.289 529 1HG1 VAL 72 1HG1 VAL 72 64.793 -2.609 1.108 530 2HG1 VAL 72 2HG1 VAL 72 64.608 -2.540 2.861 531 3HG1 VAL 72 3HG1 VAL 72 63.970 -1.239 1.855 532 1HG2 VAL 72 1HG2 VAL 72 66.300 -1.254 4.216 533 2HG2 VAL 72 2HG2 VAL 72 67.036 0.153 3.448 534 3HG2 VAL 72 3HG2 VAL 72 65.283 0.052 3.606 535 H ASP 73 H ASP 73 66.305 -4.576 1.868 536 HA ASP 73 HA ASP 73 66.606 -4.778 -1.113 537 1HB ASP 73 1HB ASP 73 67.464 -6.446 1.156 538 2HB ASP 73 2HB ASP 73 66.641 -7.353 -0.113 539 H PHE 74 H PHE 74 65.115 -6.744 -1.866 540 HA PHE 74 HA PHE 74 62.393 -6.014 -1.461 541 1HB PHE 74 1HB PHE 74 63.313 -7.242 -3.405 542 2HB PHE 74 2HB PHE 74 63.633 -8.634 -2.369 543 HD1 PHE 74 HD1 PHE 74 60.804 -6.311 -3.211 544 HD2 PHE 74 HD2 PHE 74 62.035 -10.326 -2.308 545 HE1 PHE 74 HE1 PHE 74 58.478 -7.101 -3.551 546 HE2 PHE 74 HE2 PHE 74 59.709 -11.116 -2.647 547 HZ PHE 74 HZ PHE 74 57.930 -9.503 -3.269 548 H ASP 75 H ASP 75 64.517 -7.825 0.536 549 HA ASP 75 HA ASP 75 62.401 -9.412 1.840 550 1HB ASP 75 1HB ASP 75 65.020 -9.809 1.388 551 2HB ASP 75 2HB ASP 75 65.137 -9.053 2.978 552 H GLU 76 H GLU 76 64.524 -6.653 2.665 553 HA GLU 76 HA GLU 76 63.205 -6.275 5.268 554 1HB GLU 76 1HB GLU 76 65.208 -4.589 3.731 555 2HB GLU 76 2HB GLU 76 64.836 -4.448 5.450 556 1HG GLU 76 1HG GLU 76 65.708 -6.660 5.888 557 2HG GLU 76 2HG GLU 76 65.907 -6.973 4.163 558 H PHE 77 H PHE 77 62.937 -5.037 2.011 559 HA PHE 77 HA PHE 77 61.610 -2.552 2.586 560 1HB PHE 77 1HB PHE 77 62.640 -3.051 0.442 561 2HB PHE 77 2HB PHE 77 61.592 -4.453 0.220 562 HD1 PHE 77 HD1 PHE 77 61.660 -0.745 0.427 563 HD2 PHE 77 HD2 PHE 77 59.348 -4.221 -0.584 564 HE1 PHE 77 HE1 PHE 77 59.948 0.702 -0.633 565 HE2 PHE 77 HE2 PHE 77 57.636 -2.774 -1.644 566 HZ PHE 77 HZ PHE 77 57.936 -0.313 -1.670 567 H LEU 78 H LEU 78 60.305 -5.751 1.621 568 HA LEU 78 HA LEU 78 57.567 -5.222 1.671 569 1HB LEU 78 1HB LEU 78 59.364 -7.527 2.202 570 2HB LEU 78 2HB LEU 78 57.699 -7.710 2.756 571 HG LEU 78 HG LEU 78 58.353 -6.750 -0.032 572 1HD1 LEU 78 1HD1 LEU 78 58.639 -9.426 1.113 573 2HD1 LEU 78 2HD1 LEU 78 57.503 -9.391 -0.236 574 3HD1 LEU 78 3HD1 LEU 78 59.157 -8.820 -0.461 575 1HD2 LEU 78 1HD2 LEU 78 55.931 -7.782 1.436 576 2HD2 LEU 78 2HD2 LEU 78 56.092 -6.320 0.463 577 3HD2 LEU 78 3HD2 LEU 78 56.025 -7.899 -0.321 578 H VAL 79 H VAL 79 59.624 -6.111 4.462 579 HA VAL 79 HA VAL 79 57.572 -6.066 6.446 580 HB VAL 79 HB VAL 79 60.555 -5.526 6.520 581 1HG1 VAL 79 1HG1 VAL 79 58.722 -4.956 8.532 582 2HG1 VAL 79 2HG1 VAL 79 59.312 -6.563 8.955 583 3HG1 VAL 79 3HG1 VAL 79 60.449 -5.229 8.758 584 1HG2 VAL 79 1HG2 VAL 79 58.877 -7.989 7.099 585 2HG2 VAL 79 2HG2 VAL 79 59.931 -7.756 5.703 586 3HG2 VAL 79 3HG2 VAL 79 60.624 -7.881 7.320 587 H MET 80 H MET 80 59.497 -3.482 4.997 588 HA MET 80 HA MET 80 59.010 -1.425 6.913 589 1HB MET 80 1HB MET 80 60.591 -1.575 4.867 590 2HB MET 80 2HB MET 80 59.200 -1.034 3.925 591 1HG MET 80 1HG MET 80 59.344 0.642 6.211 592 2HG MET 80 2HG MET 80 60.975 0.538 5.549 593 1HE MET 80 1HE MET 80 60.889 0.088 2.732 594 2HE MET 80 2HE MET 80 60.667 1.639 1.927 595 3HE MET 80 3HE MET 80 61.752 1.509 3.318 596 H MET 81 H MET 81 56.941 -2.849 4.484 597 HA MET 81 HA MET 81 54.998 -0.607 4.650 598 1HB MET 81 1HB MET 81 55.343 -3.106 2.991 599 2HB MET 81 2HB MET 81 53.843 -2.178 2.936 600 1HG MET 81 1HG MET 81 56.413 -0.681 2.649 601 2HG MET 81 2HG MET 81 55.866 -1.645 1.277 602 1HE MET 81 1HE MET 81 56.549 1.109 1.542 603 2HE MET 81 2HE MET 81 55.362 1.994 0.576 604 3HE MET 81 3HE MET 81 55.430 2.224 2.321 605 H VAL 82 H VAL 82 55.235 -4.082 5.411 606 HA VAL 82 HA VAL 82 52.630 -4.652 6.241 607 HB VAL 82 HB VAL 82 55.193 -5.464 7.647 608 1HG1 VAL 82 1HG1 VAL 82 52.547 -6.882 7.206 609 2HG1 VAL 82 2HG1 VAL 82 53.957 -7.580 8.004 610 3HG1 VAL 82 3HG1 VAL 82 53.116 -6.213 8.736 611 1HG2 VAL 82 1HG2 VAL 82 54.391 -5.790 4.897 612 2HG2 VAL 82 2HG2 VAL 82 55.862 -6.356 5.690 613 3HG2 VAL 82 3HG2 VAL 82 54.415 -7.366 5.690 614 H ARG 83 H ARG 83 55.205 -3.039 8.107 615 HA ARG 83 HA ARG 83 53.980 -2.853 10.626 616 1HB ARG 83 1HB ARG 83 55.842 -1.132 9.008 617 2HB ARG 83 2HB ARG 83 55.309 -0.583 10.597 618 1HG ARG 83 1HG ARG 83 56.358 -2.339 11.711 619 2HG ARG 83 2HG ARG 83 56.347 -3.383 10.287 620 1HD ARG 83 1HD ARG 83 58.464 -2.720 9.836 621 2HD ARG 83 2HD ARG 83 57.870 -1.062 9.617 622 HE ARG 83 HE ARG 83 58.133 -0.769 12.096 623 1HH1 ARG 83 1HH1 ARG 83 58.683 -3.949 11.948 624 2HH1 ARG 83 2HH1 ARG 83 60.313 -3.938 12.533 625 1HH2 ARG 83 1HH2 ARG 83 60.677 -0.501 12.233 626 2HH2 ARG 83 2HH2 ARG 83 61.443 -1.986 12.693 627 H CYS 84 H CYS 84 53.046 -1.299 7.656 628 HA CYS 84 HA CYS 84 51.031 0.317 9.185 629 1HB CYS 84 1HB CYS 84 52.866 0.995 6.894 630 2HB CYS 84 2HB CYS 84 51.359 1.886 7.112 631 HG CYS 84 HG CYS 84 53.831 2.089 8.920 632 H MET 85 H MET 85 50.416 -2.264 8.265 633 HA MET 85 HA MET 85 49.426 -2.605 5.669 634 1HB MET 85 1HB MET 85 48.417 -3.472 8.390 635 2HB MET 85 2HB MET 85 47.724 -4.083 6.887 636 1HG MET 85 1HG MET 85 50.597 -4.231 6.745 637 2HG MET 85 2HG MET 85 50.039 -5.026 8.217 638 1HE MET 85 1HE MET 85 51.226 -5.372 5.218 639 2HE MET 85 2HE MET 85 51.338 -7.056 5.747 640 3HE MET 85 3HE MET 85 50.449 -6.647 4.283 641 H LYS 86 H LYS 86 47.059 -2.508 4.990 642 HA LYS 86 HA LYS 86 46.020 0.123 5.067 643 1HB LYS 86 1HB LYS 86 43.980 -0.999 4.158 644 2HB LYS 86 2HB LYS 86 45.458 -1.574 3.388 645 1HG LYS 86 1HG LYS 86 45.363 -3.353 5.376 646 2HG LYS 86 2HG LYS 86 43.639 -2.986 5.292 647 1HD LYS 86 1HD LYS 86 44.627 -3.286 2.620 648 2HD LYS 86 2HD LYS 86 45.154 -4.678 3.567 649 1HE LYS 86 1HE LYS 86 42.981 -5.394 3.980 650 2HE LYS 86 2HE LYS 86 42.311 -3.756 3.859 651 1HZ LYS 86 1HZ LYS 86 43.523 -4.264 1.427 652 2HZ LYS 86 2HZ LYS 86 42.670 -5.684 1.803 653 3HZ LYS 86 3HZ LYS 86 41.855 -4.199 1.740 654 H ASP 87 H ASP 87 46.025 0.751 7.350 655 HA ASP 87 HA ASP 87 43.566 -0.140 8.773 656 1HB ASP 87 1HB ASP 87 45.339 -1.586 9.589 657 2HB ASP 87 2HB ASP 87 46.409 -0.204 9.831 658 H ASP 88 H ASP 88 42.674 1.517 10.044 659 HA ASP 88 HA ASP 88 44.235 4.065 10.268 660 1HB ASP 88 1HB ASP 88 42.757 4.289 8.379 661 2HB ASP 88 2HB ASP 88 41.413 3.580 9.273 662 H SER 89 H SER 89 43.608 5.371 12.108 663 HA SER 89 HA SER 89 41.759 4.049 14.059 664 1HB SER 89 1HB SER 89 43.902 3.388 14.802 665 2HB SER 89 2HB SER 89 44.630 4.925 14.347 666 HG SER 89 HG SER 89 42.746 4.484 16.431 667 1H ARG 1 1H ARG 1 59.864 5.620 6.613 668 2H ARG 1 2H ARG 1 59.718 5.128 8.229 669 3H ARG 1 3H ARG 1 58.504 4.732 7.109 670 HA ARG 1 HA ARG 1 57.769 6.566 8.506 671 1HB ARG 1 1HB ARG 1 60.448 7.117 8.487 672 2HB ARG 1 2HB ARG 1 59.843 8.353 7.382 673 1HG ARG 1 1HG ARG 1 58.136 8.069 9.729 674 2HG ARG 1 2HG ARG 1 59.794 8.479 10.167 675 1HD ARG 1 1HD ARG 1 58.452 9.970 7.920 676 2HD ARG 1 2HD ARG 1 58.133 10.431 9.605 677 HE ARG 1 HE ARG 1 60.604 10.909 8.204 678 1HH1 ARG 1 1HH1 ARG 1 59.137 10.193 11.237 679 2HH1 ARG 1 2HH1 ARG 1 60.539 10.611 12.165 680 1HH2 ARG 1 1HH2 ARG 1 62.492 11.325 9.391 681 2HH2 ARG 1 2HH2 ARG 1 62.436 11.252 11.120 682 H ILE 2 H ILE 2 57.240 5.460 5.882 683 HA ILE 2 HA ILE 2 56.607 7.961 4.346 684 HB ILE 2 HB ILE 2 56.940 6.649 2.350 685 1HG1 ILE 2 1HG1 ILE 2 57.124 4.287 4.248 686 2HG1 ILE 2 2HG1 ILE 2 55.840 4.593 3.079 687 1HG2 ILE 2 1HG2 ILE 2 58.996 7.417 3.554 688 2HG2 ILE 2 2HG2 ILE 2 59.078 5.844 4.347 689 3HG2 ILE 2 3HG2 ILE 2 59.266 5.961 2.598 690 1HD1 ILE 2 1HD1 ILE 2 58.734 4.314 2.252 691 2HD1 ILE 2 2HD1 ILE 2 57.648 2.929 2.357 692 3HD1 ILE 2 3HD1 ILE 2 57.299 4.239 1.228 693 H SER 3 H SER 3 54.435 8.302 4.004 694 HA SER 3 HA SER 3 52.366 6.865 5.235 695 1HB SER 3 1HB SER 3 52.233 8.344 2.589 696 2HB SER 3 2HB SER 3 50.927 8.144 3.755 697 HG SER 3 HG SER 3 52.115 10.189 3.833 698 H ALA 4 H ALA 4 50.502 5.839 3.722 699 HA ALA 4 HA ALA 4 51.838 3.682 2.122 700 1HB ALA 4 1HB ALA 4 50.569 3.239 4.326 701 2HB ALA 4 2HB ALA 4 49.105 3.603 3.412 702 3HB ALA 4 3HB ALA 4 50.126 2.244 2.938 703 H ASP 5 H ASP 5 48.721 5.455 2.321 704 HA ASP 5 HA ASP 5 47.926 4.785 -0.378 705 1HB ASP 5 1HB ASP 5 46.405 5.367 1.497 706 2HB ASP 5 2HB ASP 5 47.053 7.008 1.497 707 H ALA 6 H ALA 6 49.008 7.893 1.061 708 HA ALA 6 HA ALA 6 49.119 9.477 -1.231 709 1HB ALA 6 1HB ALA 6 49.654 9.937 1.266 710 2HB ALA 6 2HB ALA 6 51.299 9.451 0.858 711 3HB ALA 6 3HB ALA 6 50.567 10.841 0.058 712 H MET 7 H MET 7 51.353 6.924 -0.242 713 HA MET 7 HA MET 7 53.509 7.547 -2.026 714 1HB MET 7 1HB MET 7 53.061 5.812 -0.005 715 2HB MET 7 2HB MET 7 52.842 4.718 -1.371 716 1HG MET 7 1HG MET 7 55.184 6.506 -1.588 717 2HG MET 7 2HG MET 7 55.272 5.328 -0.277 718 1HE MET 7 1HE MET 7 57.257 5.492 -2.505 719 2HE MET 7 2HE MET 7 57.093 4.413 -3.887 720 3HE MET 7 3HE MET 7 56.184 5.929 -3.831 721 H MET 8 H MET 8 50.430 5.915 -2.509 722 HA MET 8 HA MET 8 51.209 4.801 -5.118 723 1HB MET 8 1HB MET 8 48.537 5.034 -3.696 724 2HB MET 8 2HB MET 8 48.884 3.992 -5.076 725 1HG MET 8 1HG MET 8 50.330 3.826 -2.418 726 2HG MET 8 2HG MET 8 48.983 2.786 -2.879 727 1HE MET 8 1HE MET 8 52.292 3.883 -2.958 728 2HE MET 8 2HE MET 8 53.245 2.489 -3.458 729 3HE MET 8 3HE MET 8 52.802 3.730 -4.637 730 H GLN 9 H GLN 9 49.051 7.397 -3.932 731 HA GLN 9 HA GLN 9 48.297 8.243 -6.620 732 1HB GLN 9 1HB GLN 9 47.297 8.496 -4.094 733 2HB GLN 9 2HB GLN 9 48.027 10.087 -4.318 734 1HG GLN 9 1HG GLN 9 46.610 9.281 -6.711 735 2HG GLN 9 2HG GLN 9 45.541 9.218 -5.310 736 1HE2 GLN 9 2HE2 GLN 9 44.604 11.173 -6.673 737 2HE2 GLN 9 1HE2 GLN 9 45.225 12.704 -6.283 738 H ALA 10 H ALA 10 51.090 8.695 -4.732 739 HA ALA 10 HA ALA 10 51.699 11.417 -5.672 740 1HB ALA 10 1HB ALA 10 52.899 9.314 -3.919 741 2HB ALA 10 2HB ALA 10 53.974 10.551 -4.569 742 3HB ALA 10 3HB ALA 10 52.595 11.017 -3.575 743 H LEU 11 H LEU 11 53.242 8.199 -6.112 744 HA LEU 11 HA LEU 11 53.998 9.036 -8.879 745 1HB LEU 11 1HB LEU 11 56.304 8.259 -8.412 746 2HB LEU 11 2HB LEU 11 55.844 9.570 -7.327 747 HG LEU 11 HG LEU 11 54.984 7.274 -6.000 748 1HD1 LEU 11 1HD1 LEU 11 56.298 5.914 -7.607 749 2HD1 LEU 11 2HD1 LEU 11 57.745 6.829 -7.180 750 3HD1 LEU 11 3HD1 LEU 11 56.958 5.809 -5.974 751 1HD2 LEU 11 1HD2 LEU 11 56.320 9.471 -5.337 752 2HD2 LEU 11 2HD2 LEU 11 56.430 8.020 -4.338 753 3HD2 LEU 11 3HD2 LEU 11 57.715 8.401 -5.484 754 H LEU 12 H LEU 12 52.143 6.991 -7.449 755 HA LEU 12 HA LEU 12 52.917 4.699 -9.181 756 1HB LEU 12 1HB LEU 12 52.897 4.849 -6.209 757 2HB LEU 12 2HB LEU 12 52.220 3.384 -6.920 758 HG LEU 12 HG LEU 12 54.638 4.047 -8.314 759 1HD1 LEU 12 1HD1 LEU 12 54.987 5.205 -5.996 760 2HD1 LEU 12 2HD1 LEU 12 55.155 3.558 -5.391 761 3HD1 LEU 12 3HD1 LEU 12 56.261 4.160 -6.625 762 1HD2 LEU 12 1HD2 LEU 12 53.460 1.813 -6.738 763 2HD2 LEU 12 2HD2 LEU 12 54.154 1.800 -8.359 764 3HD2 LEU 12 3HD2 LEU 12 55.210 1.791 -6.948 765 H GLY 13 H GLY 13 50.765 6.610 -9.435 766 1HA GLY 13 1HA GLY 13 48.522 4.772 -9.624 767 2HA GLY 13 2HA GLY 13 48.289 5.975 -8.354 768 H ALA 14 H ALA 14 46.546 6.955 -9.538 769 HA ALA 14 HA ALA 14 45.622 8.498 -11.072 770 1HB ALA 14 1HB ALA 14 47.731 9.594 -9.937 771 2HB ALA 14 2HB ALA 14 48.446 9.423 -11.540 772 3HB ALA 14 3HB ALA 14 46.986 10.388 -11.325 773 H ARG 15 H ARG 15 45.427 6.400 -12.472 774 HA ARG 15 HA ARG 15 47.195 6.554 -14.882 775 1HB ARG 15 1HB ARG 15 45.769 4.446 -13.360 776 2HB ARG 15 2HB ARG 15 45.762 4.247 -15.112 777 1HG ARG 15 1HG ARG 15 48.392 5.039 -14.357 778 2HG ARG 15 2HG ARG 15 47.902 3.731 -13.279 779 1HD ARG 15 1HD ARG 15 47.187 2.417 -15.322 780 2HD ARG 15 2HD ARG 15 47.938 3.683 -16.315 781 HE ARG 15 HE ARG 15 49.729 2.765 -14.227 782 1HH1 ARG 15 1HH2 ARG 15 48.997 0.184 -15.464 783 2HH1 ARG 15 2HH2 ARG 15 50.095 0.067 -16.797 784 1HH2 ARG 15 1HH1 ARG 15 50.916 3.436 -16.759 785 2HH2 ARG 15 2HH1 ARG 15 51.183 1.908 -17.530 786 H ALA 16 H ALA 16 46.277 7.642 -16.578 787 HA ALA 16 HA ALA 16 43.593 7.017 -17.510 788 1HB ALA 16 1HB ALA 16 43.620 8.706 -15.412 789 2HB ALA 16 2HB ALA 16 43.867 9.877 -16.709 790 3HB ALA 16 3HB ALA 16 42.435 8.847 -16.712 791 H LYS 17 H LYS 17 46.053 6.922 -18.826 792 HA LYS 17 HA LYS 17 46.601 9.368 -20.310 793 1HB LYS 17 1HB LYS 17 47.531 6.566 -20.126 794 2HB LYS 17 2HB LYS 17 47.731 7.306 -21.715 795 1HG LYS 17 1HG LYS 17 49.596 8.286 -20.909 796 2HG LYS 17 2HG LYS 17 48.537 9.291 -19.916 797 1HD LYS 17 1HD LYS 17 48.812 6.698 -18.694 798 2HD LYS 17 2HD LYS 17 50.411 7.362 -19.023 799 1HE LYS 17 1HE LYS 17 49.180 9.580 -18.036 800 2HE LYS 17 2HE LYS 17 48.340 8.310 -17.123 801 1HZ LYS 17 1HZ LYS 17 51.288 8.532 -17.439 802 2HZ LYS 17 2HZ LYS 17 50.421 8.955 -16.041 803 3HZ LYS 17 3HZ LYS 17 50.470 7.337 -16.557 Start of MODEL 22 1 1H MET 1 1H MET 1 60.848 -6.288 18.388 2 2H MET 1 2H MET 1 59.806 -4.981 18.678 3 3H MET 1 3H MET 1 60.031 -6.168 19.873 4 HA MET 1 HA MET 1 58.559 -7.583 18.953 5 1HB MET 1 1HB MET 1 57.594 -5.221 19.102 6 2HB MET 1 2HB MET 1 57.846 -5.107 17.359 7 1HG MET 1 1HG MET 1 56.583 -7.578 17.724 8 2HG MET 1 2HG MET 1 55.746 -6.486 18.827 9 1HE MET 1 1HE MET 1 53.763 -5.829 18.212 10 2HE MET 1 2HE MET 1 53.109 -5.470 16.608 11 3HE MET 1 3HE MET 1 53.541 -7.123 17.037 12 H ASP 2 H ASP 2 60.375 -8.714 17.690 13 HA ASP 2 HA ASP 2 60.053 -8.304 14.736 14 1HB ASP 2 1HB ASP 2 62.289 -9.150 16.558 15 2HB ASP 2 2HB ASP 2 62.302 -9.683 14.877 16 H ASP 3 H ASP 3 61.047 -10.745 13.873 17 HA ASP 3 HA ASP 3 60.326 -12.957 13.447 18 1HB ASP 3 1HB ASP 3 61.041 -12.652 16.084 19 2HB ASP 3 2HB ASP 3 59.413 -13.317 16.230 20 H ILE 4 H ILE 4 58.298 -10.574 13.656 21 HA ILE 4 HA ILE 4 55.850 -12.307 13.756 22 HB ILE 4 HB ILE 4 56.402 -9.520 14.800 23 1HG1 ILE 4 1HG1 ILE 4 54.922 -11.512 16.395 24 2HG1 ILE 4 2HG1 ILE 4 56.572 -11.990 15.997 25 1HG2 ILE 4 1HG2 ILE 4 53.793 -10.874 14.138 26 2HG2 ILE 4 2HG2 ILE 4 53.884 -9.696 15.446 27 3HG2 ILE 4 3HG2 ILE 4 54.294 -9.218 13.799 28 1HD1 ILE 4 1HD1 ILE 4 57.180 -9.554 16.740 29 2HD1 ILE 4 2HD1 ILE 4 55.624 -9.608 17.568 30 3HD1 ILE 4 3HD1 ILE 4 56.881 -10.777 17.974 31 H TYR 5 H TYR 5 57.528 -9.584 12.246 32 HA TYR 5 HA TYR 5 55.399 -8.896 10.397 33 1HB TYR 5 1HB TYR 5 58.381 -8.394 10.552 34 2HB TYR 5 2HB TYR 5 57.369 -7.707 9.281 35 HD1 TYR 5 HD1 TYR 5 58.102 -7.709 12.897 36 HD2 TYR 5 HD2 TYR 5 55.726 -5.981 9.765 37 HE1 TYR 5 HE1 TYR 5 57.408 -5.887 14.430 38 HE2 TYR 5 HE2 TYR 5 55.030 -4.159 11.296 39 HH TYR 5 HH TYR 5 55.275 -4.282 14.528 40 H LYS 6 H LYS 6 58.432 -10.773 10.072 41 HA LYS 6 HA LYS 6 58.459 -11.451 7.402 42 1HB LYS 6 1HB LYS 6 59.406 -12.501 9.895 43 2HB LYS 6 2HB LYS 6 58.862 -13.851 8.897 44 1HG LYS 6 1HG LYS 6 60.237 -12.153 7.134 45 2HG LYS 6 2HG LYS 6 61.225 -12.193 8.593 46 1HD LYS 6 1HD LYS 6 61.995 -14.205 7.943 47 2HD LYS 6 2HD LYS 6 60.370 -14.849 8.182 48 1HE LYS 6 1HE LYS 6 59.968 -14.955 5.941 49 2HE LYS 6 2HE LYS 6 60.701 -13.365 5.651 50 1HZ LYS 6 1HZ LYS 6 62.481 -15.503 6.525 51 2HZ LYS 6 2HZ LYS 6 61.893 -15.613 4.935 52 3HZ LYS 6 3HZ LYS 6 62.764 -14.241 5.428 53 H ALA 7 H ALA 7 56.091 -12.479 9.784 54 HA ALA 7 HA ALA 7 54.982 -14.706 8.346 55 1HB ALA 7 1HB ALA 7 54.559 -13.205 10.736 56 2HB ALA 7 2HB ALA 7 53.017 -13.285 9.885 57 3HB ALA 7 3HB ALA 7 53.869 -14.770 10.310 58 H ALA 8 H ALA 8 53.575 -11.428 8.742 59 HA ALA 8 HA ALA 8 51.549 -11.552 6.842 60 1HB ALA 8 1HB ALA 8 53.088 -9.579 8.263 61 2HB ALA 8 2HB ALA 8 52.815 -9.011 6.615 62 3HB ALA 8 3HB ALA 8 51.444 -9.441 7.638 63 H VAL 9 H VAL 9 54.956 -10.616 6.223 64 HA VAL 9 HA VAL 9 54.816 -10.091 3.472 65 HB VAL 9 HB VAL 9 56.991 -11.611 4.946 66 1HG1 VAL 9 1HG1 VAL 9 57.061 -9.700 2.588 67 2HG1 VAL 9 2HG1 VAL 9 58.474 -10.426 3.355 68 3HG1 VAL 9 3HG1 VAL 9 57.309 -11.445 2.509 69 1HG2 VAL 9 1HG2 VAL 9 56.054 -8.775 5.071 70 2HG2 VAL 9 2HG2 VAL 9 56.754 -9.781 6.339 71 3HG2 VAL 9 3HG2 VAL 9 57.794 -9.063 5.109 72 H GLU 10 H GLU 10 55.666 -13.260 4.932 73 HA GLU 10 HA GLU 10 55.570 -14.755 2.502 74 1HB GLU 10 1HB GLU 10 55.553 -15.222 5.435 75 2HB GLU 10 2HB GLU 10 54.951 -16.554 4.449 76 1HG GLU 10 1HG GLU 10 56.993 -16.775 3.283 77 2HG GLU 10 2HG GLU 10 57.544 -15.171 3.770 78 H GLN 11 H GLN 11 53.037 -13.452 4.469 79 HA GLN 11 HA GLN 11 51.000 -15.315 3.359 80 1HB GLN 11 1HB GLN 11 51.390 -13.641 5.712 81 2HB GLN 11 2HB GLN 11 49.805 -13.372 4.987 82 1HG GLN 11 1HG GLN 11 49.495 -15.178 6.504 83 2HG GLN 11 2HG GLN 11 49.581 -15.925 4.908 84 1HE2 GLN 11 2HE2 GLN 11 50.344 -17.078 7.605 85 2HE2 GLN 11 1HE2 GLN 11 51.962 -17.560 7.435 86 H LEU 12 H LEU 12 52.473 -13.014 1.862 87 HA LEU 12 HA LEU 12 50.431 -11.015 1.322 88 1HB LEU 12 1HB LEU 12 53.068 -11.852 0.113 89 2HB LEU 12 2HB LEU 12 52.100 -10.563 -0.604 90 HG LEU 12 HG LEU 12 53.021 -10.626 2.284 91 1HD1 LEU 12 1HD1 LEU 12 54.663 -10.214 0.188 92 2HD1 LEU 12 2HD1 LEU 12 53.997 -8.589 0.346 93 3HD1 LEU 12 3HD1 LEU 12 54.831 -9.337 1.709 94 1HD2 LEU 12 1HD2 LEU 12 51.070 -9.056 0.806 95 2HD2 LEU 12 2HD2 LEU 12 51.405 -9.068 2.537 96 3HD2 LEU 12 3HD2 LEU 12 52.342 -8.028 1.464 97 H THR 13 H THR 13 50.109 -10.738 -1.301 98 HA THR 13 HA THR 13 49.091 -13.373 -2.315 99 HB THR 13 HB THR 13 47.085 -12.233 -3.006 100 HG1 THR 13 HG1 THR 13 47.548 -10.286 -3.691 101 1HG2 THR 13 1HG2 THR 13 47.962 -11.325 -0.252 102 2HG2 THR 13 2HG2 THR 13 46.303 -11.225 -0.844 103 3HG2 THR 13 3HG2 THR 13 47.077 -12.798 -0.650 104 H GLU 14 H GLU 14 48.463 -12.936 -4.806 105 HA GLU 14 HA GLU 14 50.934 -12.326 -6.181 106 1HB GLU 14 1HB GLU 14 49.652 -12.953 -8.124 107 2HB GLU 14 2HB GLU 14 49.096 -13.974 -6.797 108 1HG GLU 14 1HG GLU 14 47.203 -12.437 -6.404 109 2HG GLU 14 2HG GLU 14 47.751 -11.424 -7.740 110 H GLU 15 H GLU 15 47.860 -10.586 -5.732 111 HA GLU 15 HA GLU 15 48.598 -8.390 -7.505 112 1HB GLU 15 1HB GLU 15 46.356 -9.322 -5.877 113 2HB GLU 15 2HB GLU 15 46.548 -7.569 -5.800 114 1HG GLU 15 1HG GLU 15 46.359 -7.340 -8.163 115 2HG GLU 15 2HG GLU 15 46.580 -9.071 -8.423 116 H GLN 16 H GLN 16 48.973 -9.108 -4.085 117 HA GLN 16 HA GLN 16 49.446 -6.405 -3.181 118 1HB GLN 16 1HB GLN 16 48.832 -8.504 -1.859 119 2HB GLN 16 2HB GLN 16 50.520 -8.989 -2.025 120 1HG GLN 16 1HG GLN 16 51.143 -7.597 -0.371 121 2HG GLN 16 2HG GLN 16 50.349 -6.233 -1.160 122 1HE2 GLN 16 2HE2 GLN 16 49.156 -9.259 0.428 123 2HE2 GLN 16 1HE2 GLN 16 48.015 -8.465 1.403 124 H LYS 17 H LYS 17 51.826 -9.077 -3.478 125 HA LYS 17 HA LYS 17 54.154 -7.505 -3.321 126 1HB LYS 17 1HB LYS 17 54.607 -9.756 -3.236 127 2HB LYS 17 2HB LYS 17 53.320 -10.158 -4.367 128 1HG LYS 17 1HG LYS 17 55.658 -8.668 -5.463 129 2HG LYS 17 2HG LYS 17 55.915 -10.360 -5.029 130 1HD LYS 17 1HD LYS 17 53.467 -10.399 -6.335 131 2HD LYS 17 2HD LYS 17 54.403 -9.227 -7.263 132 1HE LYS 17 1HE LYS 17 55.134 -11.162 -8.311 133 2HE LYS 17 2HE LYS 17 56.291 -11.144 -6.964 134 1HZ LYS 17 1HZ LYS 17 53.660 -12.262 -6.409 135 2HZ LYS 17 2HZ LYS 17 54.667 -13.189 -7.416 136 3HZ LYS 17 3HZ LYS 17 55.190 -12.762 -5.862 137 H ASN 18 H ASN 18 52.179 -8.318 -6.181 138 HA ASN 18 HA ASN 18 53.756 -7.272 -8.246 139 1HB ASN 18 1HB ASN 18 50.907 -7.740 -7.657 140 2HB ASN 18 2HB ASN 18 51.181 -6.502 -8.883 141 1HD2 ASN 18 2HD2 ASN 18 50.191 -9.391 -9.149 142 2HD2 ASN 18 1HD2 ASN 18 51.228 -10.084 -10.300 143 H GLU 19 H GLU 19 51.789 -5.550 -5.857 144 HA GLU 19 HA GLU 19 52.045 -2.934 -7.088 145 1HB GLU 19 1HB GLU 19 50.632 -4.189 -5.008 146 2HB GLU 19 2HB GLU 19 51.628 -2.973 -4.207 147 1HG GLU 19 1HG GLU 19 49.617 -1.843 -4.792 148 2HG GLU 19 2HG GLU 19 50.800 -1.338 -5.999 149 H PHE 20 H PHE 20 53.633 -4.509 -4.286 150 HA PHE 20 HA PHE 20 55.413 -2.384 -3.634 151 1HB PHE 20 1HB PHE 20 55.803 -5.387 -3.406 152 2HB PHE 20 2HB PHE 20 56.614 -4.158 -2.436 153 HD1 PHE 20 HD1 PHE 20 54.126 -2.310 -2.251 154 HD2 PHE 20 HD2 PHE 20 54.725 -6.501 -1.529 155 HE1 PHE 20 HE1 PHE 20 52.225 -2.307 -0.658 156 HE2 PHE 20 HE2 PHE 20 52.824 -6.499 0.063 157 HZ PHE 20 HZ PHE 20 51.575 -4.402 0.499 158 H LYS 21 H LYS 21 55.772 -5.115 -5.901 159 HA LYS 21 HA LYS 21 58.432 -4.996 -6.633 160 1HB LYS 21 1HB LYS 21 55.843 -5.521 -7.987 161 2HB LYS 21 2HB LYS 21 57.216 -5.240 -9.059 162 1HG LYS 21 1HG LYS 21 57.593 -7.087 -6.732 163 2HG LYS 21 2HG LYS 21 56.690 -7.675 -8.128 164 1HD LYS 21 1HD LYS 21 58.535 -7.248 -9.608 165 2HD LYS 21 2HD LYS 21 59.411 -6.370 -8.353 166 1HE LYS 21 1HE LYS 21 60.443 -8.366 -7.943 167 2HE LYS 21 2HE LYS 21 58.920 -8.832 -7.158 168 1HZ LYS 21 1HZ LYS 21 58.078 -9.558 -9.308 169 2HZ LYS 21 2HZ LYS 21 59.551 -9.145 -10.046 170 3HZ LYS 21 3HZ LYS 21 59.497 -10.401 -8.909 171 H ALA 22 H ALA 22 55.864 -2.892 -8.010 172 HA ALA 22 HA ALA 22 57.399 -1.291 -9.710 173 1HB ALA 22 1HB ALA 22 54.929 -1.227 -9.357 174 2HB ALA 22 2HB ALA 22 55.194 -0.418 -7.813 175 3HB ALA 22 3HB ALA 22 55.645 0.384 -9.317 176 H ALA 23 H ALA 23 56.544 -0.285 -6.375 177 HA ALA 23 HA ALA 23 58.346 1.841 -6.103 178 1HB ALA 23 1HB ALA 23 56.503 0.937 -4.551 179 2HB ALA 23 2HB ALA 23 57.724 -0.174 -3.932 180 3HB ALA 23 3HB ALA 23 57.948 1.566 -3.760 181 H PHE 24 H PHE 24 58.935 -1.508 -4.949 182 HA PHE 24 HA PHE 24 61.589 -1.343 -4.175 183 1HB PHE 24 1HB PHE 24 60.318 -3.373 -3.978 184 2HB PHE 24 2HB PHE 24 60.077 -3.463 -5.723 185 HD1 PHE 24 HD1 PHE 24 62.930 -3.168 -3.291 186 HD2 PHE 24 HD2 PHE 24 61.421 -4.952 -6.895 187 HE1 PHE 24 HE1 PHE 24 65.022 -4.482 -3.517 188 HE2 PHE 24 HE2 PHE 24 63.512 -6.265 -7.121 189 HZ PHE 24 HZ PHE 24 65.312 -6.030 -5.432 190 H ASP 25 H ASP 25 60.315 -1.305 -7.467 191 HA ASP 25 HA ASP 25 62.852 -1.700 -8.812 192 1HB ASP 25 1HB ASP 25 60.075 -1.391 -9.400 193 2HB ASP 25 2HB ASP 25 60.951 -0.193 -10.353 194 H ILE 26 H ILE 26 60.811 1.248 -8.672 195 HA ILE 26 HA ILE 26 62.736 3.099 -9.556 196 HB ILE 26 HB ILE 26 60.414 3.258 -7.626 197 1HG1 ILE 26 1HG1 ILE 26 59.732 4.707 -9.802 198 2HG1 ILE 26 2HG1 ILE 26 60.861 3.575 -10.550 199 1HG2 ILE 26 1HG2 ILE 26 62.138 5.494 -8.726 200 2HG2 ILE 26 2HG2 ILE 26 60.552 5.747 -7.998 201 3HG2 ILE 26 3HG2 ILE 26 61.873 5.092 -7.030 202 1HD1 ILE 26 1HD1 ILE 26 58.800 2.507 -8.658 203 2HD1 ILE 26 2HD1 ILE 26 58.304 2.940 -10.295 204 3HD1 ILE 26 3HD1 ILE 26 59.559 1.725 -10.044 205 H PHE 27 H PHE 27 62.439 1.506 -6.465 206 HA PHE 27 HA PHE 27 64.064 3.366 -4.938 207 1HB PHE 27 1HB PHE 27 62.891 0.627 -4.654 208 2HB PHE 27 2HB PHE 27 64.137 1.121 -3.508 209 HD1 PHE 27 HD1 PHE 27 61.457 3.107 -5.207 210 HD2 PHE 27 HD2 PHE 27 63.044 1.639 -1.496 211 HE1 PHE 27 HE1 PHE 27 59.779 4.443 -3.960 212 HE2 PHE 27 HE2 PHE 27 61.367 2.975 -0.249 213 HZ PHE 27 HZ PHE 27 59.734 4.375 -1.482 214 H VAL 28 H VAL 28 64.931 1.360 -7.464 215 HA VAL 28 HA VAL 28 67.749 1.252 -6.500 216 HB VAL 28 HB VAL 28 67.794 -1.115 -7.324 217 1HG1 VAL 28 1HG1 VAL 28 67.377 -0.462 -4.912 218 2HG1 VAL 28 2HG1 VAL 28 65.653 -0.656 -5.234 219 3HG1 VAL 28 3HG1 VAL 28 66.737 -2.042 -5.367 220 1HG2 VAL 28 1HG2 VAL 28 65.814 -0.815 -8.846 221 2HG2 VAL 28 2HG2 VAL 28 65.706 -2.244 -7.816 222 3HG2 VAL 28 3HG2 VAL 28 64.785 -0.796 -7.414 223 H LEU 29 H LEU 29 65.819 2.472 -8.764 224 HA LEU 29 HA LEU 29 66.577 1.609 -11.309 225 1HB LEU 29 1HB LEU 29 65.232 3.736 -10.161 226 2HB LEU 29 2HB LEU 29 66.589 4.530 -10.963 227 HG LEU 29 HG LEU 29 65.264 2.419 -12.555 228 1HD1 LEU 29 1HD1 LEU 29 63.322 3.463 -11.417 229 2HD1 LEU 29 2HD1 LEU 29 63.868 5.048 -11.963 230 3HD1 LEU 29 3HD1 LEU 29 63.346 3.841 -13.139 231 1HD2 LEU 29 1HD2 LEU 29 67.080 3.960 -13.354 232 2HD2 LEU 29 2HD2 LEU 29 65.614 4.050 -14.330 233 3HD2 LEU 29 3HD2 LEU 29 65.966 5.311 -13.150 234 H GLY 30 H GLY 30 68.281 4.104 -9.364 235 1HA GLY 30 1HA GLY 30 70.499 4.263 -11.217 236 2HA GLY 30 2HA GLY 30 70.468 4.947 -9.592 237 H ALA 31 H ALA 31 69.676 2.106 -8.651 238 HA ALA 31 HA ALA 31 72.395 1.250 -8.029 239 1HB ALA 31 1HB ALA 31 69.580 0.378 -7.439 240 2HB ALA 31 2HB ALA 31 70.919 -0.699 -7.039 241 3HB ALA 31 3HB ALA 31 70.834 0.908 -6.318 242 H GLU 32 H GLU 32 73.558 -0.355 -9.055 243 HA GLU 32 HA GLU 32 72.337 -1.624 -11.455 244 1HB GLU 32 1HB GLU 32 74.825 -0.477 -10.767 245 2HB GLU 32 2HB GLU 32 75.131 -2.204 -10.962 246 1HG GLU 32 1HG GLU 32 73.792 -2.030 -13.145 247 2HG GLU 32 2HG GLU 32 73.952 -0.282 -12.972 248 H ASP 33 H ASP 33 72.964 -2.350 -8.198 249 HA ASP 33 HA ASP 33 73.336 -5.264 -8.717 250 1HB ASP 33 1HB ASP 33 74.676 -3.694 -7.083 251 2HB ASP 33 2HB ASP 33 73.285 -3.926 -6.023 252 H GLY 34 H GLY 34 71.236 -3.035 -6.861 253 1HA GLY 34 1HA GLY 34 68.754 -3.554 -7.147 254 2HA GLY 34 2HA GLY 34 69.195 -5.220 -6.772 255 H CYS 35 H CYS 35 70.161 -2.113 -5.289 256 HA CYS 35 HA CYS 35 68.908 -3.019 -2.732 257 1HB CYS 35 1HB CYS 35 70.994 -2.589 -1.561 258 2HB CYS 35 2HB CYS 35 71.338 -3.677 -2.905 259 HG CYS 35 HG CYS 35 71.894 -1.195 -4.161 260 H ILE 36 H ILE 36 68.987 -1.103 -1.108 261 HA ILE 36 HA ILE 36 68.606 1.465 -2.620 262 HB ILE 36 HB ILE 36 67.198 0.291 -0.205 263 1HG1 ILE 36 1HG1 ILE 36 65.765 1.183 -2.646 264 2HG1 ILE 36 2HG1 ILE 36 66.772 -0.252 -2.826 265 1HG2 ILE 36 1HG2 ILE 36 66.894 2.990 -1.555 266 2HG2 ILE 36 2HG2 ILE 36 65.758 2.335 -0.375 267 3HG2 ILE 36 3HG2 ILE 36 67.416 2.696 0.104 268 1HD1 ILE 36 1HD1 ILE 36 64.783 0.065 -0.570 269 2HD1 ILE 36 2HD1 ILE 36 64.360 -0.680 -2.112 270 3HD1 ILE 36 3HD1 ILE 36 65.601 -1.409 -1.091 271 H SER 37 H SER 37 69.096 3.414 -1.390 272 HA SER 37 HA SER 37 70.635 3.189 1.118 273 1HB SER 37 1HB SER 37 71.816 3.123 -1.493 274 2HB SER 37 2HB SER 37 72.261 4.636 -0.715 275 HG SER 37 HG SER 37 73.471 3.558 0.628 276 H THR 38 H THR 38 68.221 4.518 0.169 277 HA THR 38 HA THR 38 67.153 6.588 0.595 278 HB THR 38 HB THR 38 68.280 8.162 1.891 279 HG1 THR 38 HG1 THR 38 70.382 8.717 1.592 280 1HG2 THR 38 1HG2 THR 38 68.822 5.511 2.463 281 2HG2 THR 38 2HG2 THR 38 70.412 6.271 2.544 282 3HG2 THR 38 3HG2 THR 38 69.095 6.873 3.550 283 H LYS 39 H LYS 39 70.320 6.975 -1.071 284 HA LYS 39 HA LYS 39 69.757 9.150 -2.725 285 1HB LYS 39 1HB LYS 39 71.824 7.569 -2.479 286 2HB LYS 39 2HB LYS 39 71.056 6.627 -3.757 287 1HG LYS 39 1HG LYS 39 70.856 9.013 -4.916 288 2HG LYS 39 2HG LYS 39 72.232 9.374 -3.872 289 1HD LYS 39 1HD LYS 39 73.370 7.322 -4.764 290 2HD LYS 39 2HD LYS 39 72.038 7.136 -5.906 291 1HE LYS 39 1HE LYS 39 73.150 8.537 -7.299 292 2HE LYS 39 2HE LYS 39 72.858 9.835 -6.125 293 1HZ LYS 39 1HZ LYS 39 75.092 7.878 -5.985 294 2HZ LYS 39 2HZ LYS 39 75.241 9.483 -6.519 295 3HZ LYS 39 3HZ LYS 39 74.816 9.163 -4.908 296 H GLU 40 H GLU 40 68.956 5.715 -3.325 297 HA GLU 40 HA GLU 40 67.335 6.395 -5.695 298 1HB GLU 40 1HB GLU 40 67.571 3.753 -4.233 299 2HB GLU 40 2HB GLU 40 67.209 4.016 -5.938 300 1HG GLU 40 1HG GLU 40 69.835 4.653 -4.569 301 2HG GLU 40 2HG GLU 40 69.542 3.298 -5.659 302 H LEU 41 H LEU 41 66.928 5.674 -2.299 303 HA LEU 41 HA LEU 41 64.054 5.171 -2.445 304 1HB LEU 41 1HB LEU 41 65.011 4.098 -0.642 305 2HB LEU 41 2HB LEU 41 66.252 5.330 -0.440 306 HG LEU 41 HG LEU 41 64.735 6.798 0.696 307 1HD1 LEU 41 1HD1 LEU 41 62.779 5.339 -0.811 308 2HD1 LEU 41 2HD1 LEU 41 62.345 5.270 0.897 309 3HD1 LEU 41 3HD1 LEU 41 62.569 6.831 0.106 310 1HD2 LEU 41 1HD2 LEU 41 65.322 4.193 1.621 311 2HD2 LEU 41 2HD2 LEU 41 64.918 5.604 2.599 312 3HD2 LEU 41 3HD2 LEU 41 63.646 4.500 2.074 313 H GLY 42 H GLY 42 65.884 7.731 -0.716 314 1HA GLY 42 1HA GLY 42 63.798 9.498 -0.234 315 2HA GLY 42 2HA GLY 42 65.445 10.041 -0.559 316 H LYS 43 H LYS 43 65.606 9.080 -3.261 317 HA LYS 43 HA LYS 43 64.737 11.254 -4.774 318 1HB LYS 43 1HB LYS 43 65.459 8.413 -5.242 319 2HB LYS 43 2HB LYS 43 64.612 9.213 -6.566 320 1HG LYS 43 1HG LYS 43 66.895 10.628 -5.231 321 2HG LYS 43 2HG LYS 43 67.240 9.366 -6.413 322 1HD LYS 43 1HD LYS 43 65.200 11.419 -7.137 323 2HD LYS 43 2HD LYS 43 66.894 11.907 -7.148 324 1HE LYS 43 1HE LYS 43 67.347 10.682 -9.016 325 2HE LYS 43 2HE LYS 43 66.399 9.297 -8.436 326 1HZ LYS 43 1HZ LYS 43 64.392 10.785 -8.818 327 2HZ LYS 43 2HZ LYS 43 65.423 11.768 -9.740 328 3HZ LYS 43 3HZ LYS 43 65.151 10.156 -10.203 329 H VAL 44 H VAL 44 62.846 8.508 -3.661 330 HA VAL 44 HA VAL 44 60.583 9.011 -5.444 331 HB VAL 44 HB VAL 44 61.055 7.333 -2.963 332 1HG1 VAL 44 1HG1 VAL 44 58.578 8.030 -4.358 333 2HG1 VAL 44 2HG1 VAL 44 58.858 6.289 -4.302 334 3HG1 VAL 44 3HG1 VAL 44 58.802 7.222 -2.807 335 1HG2 VAL 44 1HG2 VAL 44 61.787 7.033 -5.675 336 2HG2 VAL 44 2HG2 VAL 44 61.874 5.809 -4.408 337 3HG2 VAL 44 3HG2 VAL 44 60.433 5.932 -5.417 338 H MET 45 H MET 45 61.571 9.981 -2.201 339 HA MET 45 HA MET 45 59.102 10.843 -1.122 340 1HB MET 45 1HB MET 45 61.994 11.581 -0.858 341 2HB MET 45 2HB MET 45 60.797 12.607 -0.067 342 1HG MET 45 1HG MET 45 61.606 10.806 1.439 343 2HG MET 45 2HG MET 45 59.878 10.666 1.116 344 1HE MET 45 1HE MET 45 58.771 9.378 -0.004 345 2HE MET 45 2HE MET 45 59.259 8.368 -1.371 346 3HE MET 45 3HE MET 45 59.097 7.664 0.236 347 H ARG 46 H ARG 46 61.194 12.352 -3.530 348 HA ARG 46 HA ARG 46 59.974 14.965 -3.485 349 1HB ARG 46 1HB ARG 46 61.893 13.387 -5.053 350 2HB ARG 46 2HB ARG 46 60.981 14.535 -6.034 351 1HG ARG 46 1HG ARG 46 61.851 15.702 -3.502 352 2HG ARG 46 2HG ARG 46 63.209 15.131 -4.472 353 1HD ARG 46 1HD ARG 46 60.993 16.842 -5.641 354 2HD ARG 46 2HD ARG 46 62.479 17.530 -4.956 355 HE ARG 46 HE ARG 46 63.719 16.020 -6.597 356 1HH1 ARG 46 1HH2 ARG 46 62.552 18.310 -8.076 357 2HH1 ARG 46 2HH2 ARG 46 61.679 17.533 -9.355 358 1HH2 ARG 46 1HH1 ARG 46 61.681 14.421 -7.824 359 2HH2 ARG 46 2HH1 ARG 46 61.182 15.333 -9.209 360 H MET 47 H MET 47 59.364 12.005 -5.372 361 HA MET 47 HA MET 47 57.342 13.173 -7.080 362 1HB MET 47 1HB MET 47 58.434 10.492 -6.372 363 2HB MET 47 2HB MET 47 56.837 10.522 -7.121 364 1HG MET 47 1HG MET 47 57.775 11.957 -8.946 365 2HG MET 47 2HG MET 47 59.374 11.758 -8.230 366 1HE MET 47 1HE MET 47 59.898 9.224 -7.280 367 2HE MET 47 2HE MET 47 58.244 8.612 -7.134 368 3HE MET 47 3HE MET 47 59.418 7.757 -8.130 369 H LEU 48 H LEU 48 57.263 11.480 -3.954 370 HA LEU 48 HA LEU 48 54.406 11.154 -3.796 371 1HB LEU 48 1HB LEU 48 56.513 11.486 -1.632 372 2HB LEU 48 2HB LEU 48 54.913 10.780 -1.407 373 HG LEU 48 HG LEU 48 57.132 9.703 -3.166 374 1HD1 LEU 48 1HD1 LEU 48 56.984 9.404 -0.534 375 2HD1 LEU 48 2HD1 LEU 48 55.771 8.199 -0.962 376 3HD1 LEU 48 3HD1 LEU 48 57.421 8.045 -1.568 377 1HD2 LEU 48 1HD2 LEU 48 54.907 9.405 -4.206 378 2HD2 LEU 48 2HD2 LEU 48 55.565 7.864 -3.660 379 3HD2 LEU 48 3HD2 LEU 48 54.314 8.672 -2.716 380 H GLY 49 H GLY 49 56.461 13.913 -3.482 381 1HA GLY 49 1HA GLY 49 55.616 16.172 -3.386 382 2HA GLY 49 2HA GLY 49 54.116 15.550 -2.693 383 H GLN 50 H GLN 50 57.239 14.491 -1.528 384 HA GLN 50 HA GLN 50 56.979 16.247 0.878 385 1HB GLN 50 1HB GLN 50 56.610 13.335 0.606 386 2HB GLN 50 2HB GLN 50 57.717 13.794 1.901 387 1HG GLN 50 1HG GLN 50 55.955 15.439 2.687 388 2HG GLN 50 2HG GLN 50 54.851 14.698 1.527 389 1HE2 GLN 50 2HE2 GLN 50 55.538 14.598 4.736 390 2HE2 GLN 50 1HE2 GLN 50 55.183 12.972 5.071 391 H ASN 51 H ASN 51 59.045 16.092 2.226 392 HA ASN 51 HA ASN 51 61.433 15.129 0.753 393 1HB ASN 51 1HB ASN 51 60.524 17.943 1.052 394 2HB ASN 51 2HB ASN 51 62.242 17.655 1.320 395 1HD2 ASN 51 2HD2 ASN 51 63.501 17.646 -0.548 396 2HD2 ASN 51 1HD2 ASN 51 62.915 17.362 -2.116 397 HA PRO 52 HA PRO 52 61.842 14.736 5.298 398 1HB PRO 52 1HB PRO 52 63.096 12.304 5.217 399 2HB PRO 52 2HB PRO 52 61.331 12.482 5.186 400 1HG PRO 52 1HG PRO 52 63.215 11.936 2.956 401 2HG PRO 52 2HG PRO 52 61.576 11.326 3.229 402 1HD PRO 52 1HD PRO 52 62.199 13.340 1.472 403 2HD PRO 52 2HD PRO 52 60.603 13.127 2.225 404 H THR 53 H THR 53 64.225 13.504 6.183 405 HA THR 53 HA THR 53 66.297 15.295 4.955 406 HB THR 53 HB THR 53 67.305 14.950 7.326 407 HG1 THR 53 HG1 THR 53 65.771 14.334 8.858 408 1HG2 THR 53 1HG2 THR 53 64.728 16.444 6.805 409 2HG2 THR 53 2HG2 THR 53 65.667 16.637 8.284 410 3HG2 THR 53 3HG2 THR 53 66.372 17.074 6.729 411 HA PRO 54 HA PRO 54 68.657 11.726 3.965 412 1HB PRO 54 1HB PRO 54 71.207 12.674 4.287 413 2HB PRO 54 2HB PRO 54 70.170 13.134 2.923 414 1HG PRO 54 1HG PRO 54 70.781 14.630 5.422 415 2HG PRO 54 2HG PRO 54 70.599 15.227 3.767 416 1HD PRO 54 1HD PRO 54 68.654 15.451 5.662 417 2HD PRO 54 2HD PRO 54 68.315 15.345 3.920 418 H GLU 55 H GLU 55 68.934 13.274 7.051 419 HA GLU 55 HA GLU 55 70.676 11.279 8.291 420 1HB GLU 55 1HB GLU 55 69.688 13.844 8.835 421 2HB GLU 55 2HB GLU 55 68.934 12.818 10.056 422 1HG GLU 55 1HG GLU 55 70.974 12.186 10.981 423 2HG GLU 55 2HG GLU 55 71.862 12.495 9.489 424 H GLU 56 H GLU 56 67.189 11.870 8.033 425 HA GLU 56 HA GLU 56 66.477 9.662 9.822 426 1HB GLU 56 1HB GLU 56 65.020 11.549 7.960 427 2HB GLU 56 2HB GLU 56 64.173 10.266 8.826 428 1HG GLU 56 1HG GLU 56 65.352 11.218 10.939 429 2HG GLU 56 2HG GLU 56 65.624 12.655 9.951 430 H LEU 57 H LEU 57 66.762 10.197 6.327 431 HA LEU 57 HA LEU 57 65.435 7.956 5.289 432 1HB LEU 57 1HB LEU 57 67.776 9.650 4.571 433 2HB LEU 57 2HB LEU 57 67.620 8.127 3.696 434 HG LEU 57 HG LEU 57 65.381 10.149 3.984 435 1HD1 LEU 57 1HD1 LEU 57 67.629 9.903 2.061 436 2HD1 LEU 57 2HD1 LEU 57 66.036 10.173 1.352 437 3HD1 LEU 57 3HD1 LEU 57 66.689 11.323 2.519 438 1HD2 LEU 57 1HD2 LEU 57 65.741 7.689 2.241 439 2HD2 LEU 57 2HD2 LEU 57 64.634 7.838 3.606 440 3HD2 LEU 57 3HD2 LEU 57 64.375 8.801 2.151 441 H GLN 58 H GLN 58 68.946 8.063 6.042 442 HA GLN 58 HA GLN 58 69.514 5.326 5.809 443 1HB GLN 58 1HB GLN 58 70.922 7.495 6.398 444 2HB GLN 58 2HB GLN 58 70.654 6.962 8.058 445 1HG GLN 58 1HG GLN 58 71.710 5.100 5.923 446 2HG GLN 58 2HG GLN 58 72.778 6.091 6.917 447 1HE2 GLN 58 1HE2 GLN 58 71.697 3.016 6.785 448 2HE2 GLN 58 2HE2 GLN 58 71.604 2.645 8.439 449 H GLU 59 H GLU 59 67.938 7.081 8.432 450 HA GLU 59 HA GLU 59 67.987 4.941 10.376 451 1HB GLU 59 1HB GLU 59 67.318 7.623 10.261 452 2HB GLU 59 2HB GLU 59 65.744 6.848 10.446 453 1HG GLU 59 1HG GLU 59 66.159 6.361 12.605 454 2HG GLU 59 2HG GLU 59 67.707 5.620 12.195 455 H MET 60 H MET 60 65.793 5.885 7.767 456 HA MET 60 HA MET 60 63.593 4.171 8.457 457 1HB MET 60 1HB MET 60 64.647 5.465 5.935 458 2HB MET 60 2HB MET 60 63.185 4.476 5.915 459 1HG MET 60 1HG MET 60 63.262 6.459 8.092 460 2HG MET 60 2HG MET 60 63.239 7.166 6.476 461 1HE MET 60 1HE MET 60 62.189 5.820 4.721 462 2HE MET 60 2HE MET 60 60.903 4.634 4.925 463 3HE MET 60 3HE MET 60 60.496 6.330 4.682 464 H ILE 61 H ILE 61 66.596 3.666 6.661 465 HA ILE 61 HA ILE 61 65.862 1.023 5.667 466 HB ILE 61 HB ILE 61 68.351 2.723 5.842 467 1HG1 ILE 61 1HG1 ILE 61 68.030 2.147 3.248 468 2HG1 ILE 61 2HG1 ILE 61 66.364 1.891 3.769 469 1HG2 ILE 61 1HG2 ILE 61 68.134 -0.194 5.349 470 2HG2 ILE 61 2HG2 ILE 61 69.113 0.708 4.193 471 3HG2 ILE 61 3HG2 ILE 61 69.510 0.754 5.911 472 1HD1 ILE 61 1HD1 ILE 61 67.644 4.341 4.826 473 2HD1 ILE 61 2HD1 ILE 61 67.376 4.328 3.082 474 3HD1 ILE 61 3HD1 ILE 61 66.017 4.107 4.185 475 H ASP 62 H ASP 62 67.623 2.312 8.461 476 HA ASP 62 HA ASP 62 68.695 -0.207 9.384 477 1HB ASP 62 1HB ASP 62 69.063 2.421 9.929 478 2HB ASP 62 2HB ASP 62 68.037 1.977 11.293 479 H GLU 63 H GLU 63 65.619 1.455 9.833 480 HA GLU 63 HA GLU 63 64.649 0.072 12.123 481 1HB GLU 63 1HB GLU 63 63.811 2.031 10.382 482 2HB GLU 63 2HB GLU 63 62.709 0.707 9.997 483 1HG GLU 63 1HG GLU 63 62.385 0.485 12.549 484 2HG GLU 63 2HG GLU 63 63.129 2.081 12.650 485 H VAL 64 H VAL 64 64.508 -0.783 8.660 486 HA VAL 64 HA VAL 64 63.305 -3.419 9.423 487 HB VAL 64 HB VAL 64 62.678 -3.449 6.995 488 1HG1 VAL 64 1HG1 VAL 64 61.249 -2.418 8.835 489 2HG1 VAL 64 2HG1 VAL 64 61.865 -0.850 8.314 490 3HG1 VAL 64 3HG1 VAL 64 60.917 -1.837 7.202 491 1HG2 VAL 64 1HG2 VAL 64 64.659 -1.421 6.884 492 2HG2 VAL 64 2HG2 VAL 64 63.679 -2.036 5.553 493 3HG2 VAL 64 3HG2 VAL 64 63.124 -0.647 6.488 494 H ASP 65 H ASP 65 66.253 -2.548 9.475 495 HA ASP 65 HA ASP 65 67.323 -4.523 7.489 496 1HB ASP 65 1HB ASP 65 68.120 -2.224 7.246 497 2HB ASP 65 2HB ASP 65 68.575 -2.174 8.950 498 H GLU 66 H GLU 66 68.034 -6.425 8.355 499 HA GLU 66 HA GLU 66 68.937 -6.433 11.216 500 1HB GLU 66 1HB GLU 66 67.826 -8.615 11.409 501 2HB GLU 66 2HB GLU 66 66.672 -7.408 10.845 502 1HG GLU 66 1HG GLU 66 67.429 -8.187 8.458 503 2HG GLU 66 2HG GLU 66 67.981 -9.632 9.306 504 H ASP 67 H ASP 67 70.409 -6.290 8.557 505 HA ASP 67 HA ASP 67 72.102 -8.736 8.944 506 1HB ASP 67 1HB ASP 67 72.330 -8.849 6.544 507 2HB ASP 67 2HB ASP 67 70.609 -8.670 6.883 508 H GLY 68 H GLY 68 72.014 -5.519 9.435 509 1HA GLY 68 1HA GLY 68 73.612 -3.799 9.494 510 2HA GLY 68 2HA GLY 68 74.739 -5.106 9.858 511 H SER 69 H SER 69 72.912 -4.186 6.920 512 HA SER 69 HA SER 69 75.454 -4.498 5.372 513 1HB SER 69 1HB SER 69 74.039 -5.079 3.555 514 2HB SER 69 2HB SER 69 73.270 -5.825 4.953 515 HG SER 69 HG SER 69 71.710 -4.706 3.831 516 H GLY 70 H GLY 70 72.722 -2.304 5.963 517 1HA GLY 70 1HA GLY 70 73.057 0.113 5.984 518 2HA GLY 70 2HA GLY 70 74.371 -0.098 4.825 519 H THR 71 H THR 71 72.422 -2.134 3.470 520 HA THR 71 HA THR 71 70.844 -0.050 1.993 521 HB THR 71 HB THR 71 71.203 -1.688 0.056 522 HG1 THR 71 HG1 THR 71 73.346 -2.845 0.728 523 1HG2 THR 71 1HG2 THR 71 73.551 -0.317 1.385 524 2HG2 THR 71 2HG2 THR 71 73.593 -0.956 -0.258 525 3HG2 THR 71 3HG2 THR 71 72.485 0.353 0.151 526 H VAL 72 H VAL 72 68.911 -1.084 0.822 527 HA VAL 72 HA VAL 72 67.692 -3.212 2.555 528 HB VAL 72 HB VAL 72 66.620 -0.705 1.253 529 1HG1 VAL 72 1HG1 VAL 72 65.213 -3.244 1.883 530 2HG1 VAL 72 2HG1 VAL 72 64.421 -1.762 2.418 531 3HG1 VAL 72 3HG1 VAL 72 64.804 -1.992 0.712 532 1HG2 VAL 72 1HG2 VAL 72 66.669 -1.845 4.059 533 2HG2 VAL 72 2HG2 VAL 72 67.468 -0.383 3.479 534 3HG2 VAL 72 3HG2 VAL 72 65.710 -0.434 3.612 535 H ASP 73 H ASP 73 66.758 -4.951 1.480 536 HA ASP 73 HA ASP 73 66.869 -4.904 -1.520 537 1HB ASP 73 1HB ASP 73 67.276 -7.372 -1.233 538 2HB ASP 73 2HB ASP 73 68.534 -6.365 -0.514 539 H PHE 74 H PHE 74 65.337 -6.752 -2.389 540 HA PHE 74 HA PHE 74 62.661 -6.112 -2.043 541 1HB PHE 74 1HB PHE 74 63.959 -7.769 -3.614 542 2HB PHE 74 2HB PHE 74 63.540 -8.972 -2.395 543 HD1 PHE 74 HD1 PHE 74 61.690 -6.016 -3.783 544 HD2 PHE 74 HD2 PHE 74 61.758 -10.266 -3.161 545 HE1 PHE 74 HE1 PHE 74 59.407 -6.192 -4.738 546 HE2 PHE 74 HE2 PHE 74 59.476 -10.442 -4.114 547 HZ PHE 74 HZ PHE 74 58.300 -8.405 -4.903 548 H ASP 75 H ASP 75 64.698 -7.971 0.107 549 HA ASP 75 HA ASP 75 62.527 -9.205 1.617 550 1HB ASP 75 1HB ASP 75 65.369 -9.307 1.385 551 2HB ASP 75 2HB ASP 75 64.990 -8.973 3.075 552 H GLU 76 H GLU 76 64.974 -6.780 2.625 553 HA GLU 76 HA GLU 76 63.591 -5.926 4.965 554 1HB GLU 76 1HB GLU 76 65.587 -4.571 3.127 555 2HB GLU 76 2HB GLU 76 65.149 -3.956 4.721 556 1HG GLU 76 1HG GLU 76 65.969 -5.971 5.788 557 2HG GLU 76 2HG GLU 76 66.255 -6.731 4.223 558 H PHE 77 H PHE 77 63.046 -5.189 1.614 559 HA PHE 77 HA PHE 77 61.729 -2.628 1.986 560 1HB PHE 77 1HB PHE 77 62.774 -3.496 -0.120 561 2HB PHE 77 2HB PHE 77 61.483 -4.692 -0.226 562 HD1 PHE 77 HD1 PHE 77 62.246 -1.063 -0.295 563 HD2 PHE 77 HD2 PHE 77 59.266 -4.090 -0.930 564 HE1 PHE 77 HE1 PHE 77 60.779 0.611 -1.386 565 HE2 PHE 77 HE2 PHE 77 57.798 -2.417 -2.022 566 HZ PHE 77 HZ PHE 77 58.554 -0.065 -2.251 567 H LEU 78 H LEU 78 60.276 -5.706 0.877 568 HA LEU 78 HA LEU 78 57.598 -5.199 1.213 569 1HB LEU 78 1HB LEU 78 59.262 -7.638 1.876 570 2HB LEU 78 2HB LEU 78 57.498 -7.677 1.877 571 HG LEU 78 HG LEU 78 59.217 -6.831 -0.474 572 1HD1 LEU 78 1HD1 LEU 78 58.338 -9.431 0.485 573 2HD1 LEU 78 2HD1 LEU 78 57.689 -9.090 -1.119 574 3HD1 LEU 78 3HD1 LEU 78 59.430 -9.045 -0.845 575 1HD2 LEU 78 1HD2 LEU 78 56.239 -7.082 -0.019 576 2HD2 LEU 78 2HD2 LEU 78 57.136 -5.698 -0.643 577 3HD2 LEU 78 3HD2 LEU 78 56.934 -7.138 -1.639 578 H VAL 79 H VAL 79 59.939 -5.747 3.807 579 HA VAL 79 HA VAL 79 58.028 -6.075 5.945 580 HB VAL 79 HB VAL 79 60.919 -5.163 5.816 581 1HG1 VAL 79 1HG1 VAL 79 59.143 -4.904 7.972 582 2HG1 VAL 79 2HG1 VAL 79 60.062 -6.369 8.318 583 3HG1 VAL 79 3HG1 VAL 79 60.904 -4.843 8.047 584 1HG2 VAL 79 1HG2 VAL 79 59.608 -7.825 6.465 585 2HG2 VAL 79 2HG2 VAL 79 60.531 -7.447 5.010 586 3HG2 VAL 79 3HG2 VAL 79 61.338 -7.499 6.578 587 H MET 80 H MET 80 59.847 -3.243 4.732 588 HA MET 80 HA MET 80 59.065 -1.303 6.598 589 1HB MET 80 1HB MET 80 60.327 -1.460 4.105 590 2HB MET 80 2HB MET 80 58.982 -0.350 3.842 591 1HG MET 80 1HG MET 80 59.744 1.161 5.470 592 2HG MET 80 2HG MET 80 60.742 -0.056 6.267 593 1HE MET 80 1HE MET 80 59.931 0.965 2.838 594 2HE MET 80 2HE MET 80 60.706 2.540 3.064 595 3HE MET 80 3HE MET 80 61.436 1.338 2.001 596 H MET 81 H MET 81 57.227 -2.564 3.822 597 HA MET 81 HA MET 81 55.046 -0.671 4.046 598 1HB MET 81 1HB MET 81 55.869 -2.990 2.482 599 2HB MET 81 2HB MET 81 54.134 -3.006 2.804 600 1HG MET 81 1HG MET 81 54.324 -1.731 0.823 601 2HG MET 81 2HG MET 81 54.183 -0.517 2.094 602 1HE MET 81 1HE MET 81 54.745 1.061 0.775 603 2HE MET 81 2HE MET 81 56.161 1.746 1.568 604 3HE MET 81 3HE MET 81 56.212 1.351 -0.155 605 H VAL 82 H VAL 82 55.717 -3.846 5.461 606 HA VAL 82 HA VAL 82 53.050 -4.348 6.451 607 HB VAL 82 HB VAL 82 55.674 -5.317 7.605 608 1HG1 VAL 82 1HG1 VAL 82 52.882 -5.985 7.928 609 2HG1 VAL 82 2HG1 VAL 82 53.759 -7.370 7.280 610 3HG1 VAL 82 3HG1 VAL 82 54.278 -6.628 8.792 611 1HG2 VAL 82 1HG2 VAL 82 54.603 -5.621 4.900 612 2HG2 VAL 82 2HG2 VAL 82 56.194 -6.050 5.528 613 3HG2 VAL 82 3HG2 VAL 82 54.846 -7.173 5.703 614 H ARG 83 H ARG 83 55.880 -2.669 7.763 615 HA ARG 83 HA ARG 83 55.137 -2.445 10.478 616 1HB ARG 83 1HB ARG 83 56.671 -0.754 8.512 617 2HB ARG 83 2HB ARG 83 56.464 -0.210 10.177 618 1HG ARG 83 1HG ARG 83 57.216 -2.774 10.622 619 2HG ARG 83 2HG ARG 83 58.072 -2.466 9.110 620 1HD ARG 83 1HD ARG 83 59.648 -1.333 10.276 621 2HD ARG 83 2HD ARG 83 58.410 -0.160 10.766 622 HE ARG 83 HE ARG 83 58.968 -2.694 12.264 623 1HH1 ARG 83 1HH1 ARG 83 56.329 -1.322 12.750 624 2HH1 ARG 83 2HH1 ARG 83 56.696 -0.326 14.119 625 1HH2 ARG 83 1HH2 ARG 83 60.131 -0.591 13.723 626 2HH2 ARG 83 2HH2 ARG 83 58.849 0.092 14.667 627 H CYS 84 H CYS 84 54.015 -0.589 7.667 628 HA CYS 84 HA CYS 84 52.268 1.029 9.480 629 1HB CYS 84 1HB CYS 84 52.160 2.538 7.497 630 2HB CYS 84 2HB CYS 84 53.817 2.253 8.030 631 HG CYS 84 HG CYS 84 52.803 1.590 5.309 632 H MET 85 H MET 85 52.098 -1.725 7.620 633 HA MET 85 HA MET 85 49.626 -1.288 6.169 634 1HB MET 85 1HB MET 85 51.439 -3.531 6.920 635 2HB MET 85 2HB MET 85 49.795 -3.965 6.456 636 1HG MET 85 1HG MET 85 51.035 -1.965 4.690 637 2HG MET 85 2HG MET 85 51.855 -3.526 4.686 638 1HE MET 85 1HE MET 85 50.640 -5.659 4.795 639 2HE MET 85 2HE MET 85 49.022 -5.403 5.445 640 3HE MET 85 3HE MET 85 49.232 -6.072 3.820 641 H LYS 86 H LYS 86 48.442 -0.255 8.070 642 HA LYS 86 HA LYS 86 47.358 -2.322 9.956 643 1HB LYS 86 1HB LYS 86 48.033 0.589 10.111 644 2HB LYS 86 2HB LYS 86 46.702 -0.001 11.107 645 1HG LYS 86 1HG LYS 86 48.474 -1.925 11.663 646 2HG LYS 86 2HG LYS 86 49.613 -0.639 11.261 647 1HD LYS 86 1HD LYS 86 48.109 0.820 12.836 648 2HD LYS 86 2HD LYS 86 47.577 -0.736 13.471 649 1HE LYS 86 1HE LYS 86 49.412 -0.383 14.850 650 2HE LYS 86 2HE LYS 86 50.238 -1.174 13.491 651 1HZ LYS 86 1HZ LYS 86 50.455 1.081 12.481 652 2HZ LYS 86 2HZ LYS 86 49.907 1.742 13.944 653 3HZ LYS 86 3HZ LYS 86 51.363 0.866 13.902 654 H ASP 87 H ASP 87 46.170 0.856 8.835 655 HA ASP 87 HA ASP 87 43.656 -0.501 7.916 656 1HB ASP 87 1HB ASP 87 43.881 0.935 10.184 657 2HB ASP 87 2HB ASP 87 43.589 2.256 9.054 658 H ASP 88 H ASP 88 42.416 1.856 6.976 659 HA ASP 88 HA ASP 88 42.313 3.043 4.923 660 1HB ASP 88 1HB ASP 88 44.870 3.729 6.345 661 2HB ASP 88 2HB ASP 88 44.533 4.466 4.778 662 H SER 89 H SER 89 42.339 1.210 3.459 663 HA SER 89 HA SER 89 43.250 -0.162 1.755 664 1HB SER 89 1HB SER 89 43.511 1.832 0.561 665 2HB SER 89 2HB SER 89 44.675 2.482 1.711 666 HG SER 89 HG SER 89 45.763 1.828 -0.135 667 1H ARG 1 1H ARG 1 56.911 4.887 10.016 668 2H ARG 1 2H ARG 1 55.891 4.122 11.139 669 3H ARG 1 3H ARG 1 56.493 3.253 9.813 670 HA ARG 1 HA ARG 1 54.299 3.749 9.200 671 1HB ARG 1 1HB ARG 1 54.932 5.981 10.962 672 2HB ARG 1 2HB ARG 1 54.068 6.525 9.524 673 1HG ARG 1 1HG ARG 1 52.506 4.481 10.006 674 2HG ARG 1 2HG ARG 1 53.183 4.573 11.632 675 1HD ARG 1 1HD ARG 1 52.327 6.760 11.988 676 2HD ARG 1 2HD ARG 1 52.029 7.012 10.256 677 HE ARG 1 HE ARG 1 50.608 4.733 11.475 678 1HH1 ARG 1 1HH2 ARG 1 50.023 7.781 12.282 679 2HH1 ARG 1 2HH2 ARG 1 48.561 8.002 11.381 680 1HH2 ARG 1 1HH1 ARG 1 48.959 5.108 9.517 681 2HH2 ARG 1 2HH1 ARG 1 47.957 6.489 9.817 682 H ILE 2 H ILE 2 54.226 3.876 6.993 683 HA ILE 2 HA ILE 2 55.806 6.025 5.632 684 HB ILE 2 HB ILE 2 55.856 3.038 5.334 685 1HG1 ILE 2 1HG1 ILE 2 57.608 4.457 6.533 686 2HG1 ILE 2 2HG1 ILE 2 58.224 3.385 5.276 687 1HG2 ILE 2 1HG2 ILE 2 56.114 5.054 3.111 688 2HG2 ILE 2 2HG2 ILE 2 57.057 3.564 3.070 689 3HG2 ILE 2 3HG2 ILE 2 55.295 3.492 3.101 690 1HD1 ILE 2 1HD1 ILE 2 57.410 6.031 4.279 691 2HD1 ILE 2 2HD1 ILE 2 58.746 6.083 5.430 692 3HD1 ILE 2 3HD1 ILE 2 58.884 5.114 3.963 693 H SER 3 H SER 3 54.655 7.023 3.998 694 HA SER 3 HA SER 3 51.853 6.227 3.570 695 1HB SER 3 1HB SER 3 52.920 8.588 3.846 696 2HB SER 3 2HB SER 3 53.380 8.412 2.156 697 HG SER 3 HG SER 3 51.410 9.250 1.986 698 H ALA 4 H ALA 4 51.085 5.223 1.725 699 HA ALA 4 HA ALA 4 52.988 4.850 -0.562 700 1HB ALA 4 1HB ALA 4 51.315 2.868 0.987 701 2HB ALA 4 2HB ALA 4 51.867 2.513 -0.650 702 3HB ALA 4 3HB ALA 4 53.041 2.801 0.632 703 H ASP 5 H ASP 5 49.618 4.895 0.569 704 HA ASP 5 HA ASP 5 48.146 4.492 -1.738 705 1HB ASP 5 1HB ASP 5 46.643 6.320 -0.721 706 2HB ASP 5 2HB ASP 5 47.066 4.973 0.334 707 H ALA 6 H ALA 6 50.013 7.394 -0.889 708 HA ALA 6 HA ALA 6 49.156 8.834 -3.308 709 1HB ALA 6 1HB ALA 6 50.364 9.367 -0.762 710 2HB ALA 6 2HB ALA 6 51.431 9.991 -2.021 711 3HB ALA 6 3HB ALA 6 49.754 10.529 -1.940 712 H MET 7 H MET 7 51.616 6.580 -2.442 713 HA MET 7 HA MET 7 53.624 7.454 -4.359 714 1HB MET 7 1HB MET 7 53.945 6.104 -2.227 715 2HB MET 7 2HB MET 7 53.238 4.734 -3.081 716 1HG MET 7 1HG MET 7 55.065 5.447 -4.910 717 2HG MET 7 2HG MET 7 55.882 6.051 -3.471 718 1HE MET 7 1HE MET 7 57.600 5.022 -3.044 719 2HE MET 7 2HE MET 7 57.880 3.346 -2.579 720 3HE MET 7 3HE MET 7 57.889 3.806 -4.288 721 H MET 8 H MET 8 50.810 5.358 -4.445 722 HA MET 8 HA MET 8 51.434 3.847 -6.796 723 1HB MET 8 1HB MET 8 48.773 4.860 -5.734 724 2HB MET 8 2HB MET 8 48.991 3.499 -6.835 725 1HG MET 8 1HG MET 8 49.923 3.705 -3.960 726 2HG MET 8 2HG MET 8 48.745 2.576 -4.628 727 1HE MET 8 1HE MET 8 51.935 3.639 -3.792 728 2HE MET 8 2HE MET 8 53.028 2.272 -3.992 729 3HE MET 8 3HE MET 8 52.859 3.451 -5.290 730 H GLN 9 H GLN 9 49.647 6.923 -6.385 731 HA GLN 9 HA GLN 9 49.469 7.333 -9.294 732 1HB GLN 9 1HB GLN 9 48.287 8.311 -6.833 733 2HB GLN 9 2HB GLN 9 48.772 9.662 -7.857 734 1HG GLN 9 1HG GLN 9 47.112 9.254 -9.329 735 2HG GLN 9 2HG GLN 9 47.517 7.539 -9.408 736 1HE2 GLN 9 2HE2 GLN 9 45.623 6.409 -8.919 737 2HE2 GLN 9 1HE2 GLN 9 44.594 6.761 -7.616 738 H ALA 10 H ALA 10 51.370 8.552 -6.562 739 HA ALA 10 HA ALA 10 52.605 10.779 -7.860 740 1HB ALA 10 1HB ALA 10 53.376 8.898 -5.617 741 2HB ALA 10 2HB ALA 10 54.385 10.273 -6.064 742 3HB ALA 10 3HB ALA 10 52.739 10.537 -5.488 743 H LEU 11 H LEU 11 53.640 7.372 -7.550 744 HA LEU 11 HA LEU 11 55.184 7.630 -10.064 745 1HB LEU 11 1HB LEU 11 57.244 6.835 -8.914 746 2HB LEU 11 2HB LEU 11 56.698 8.384 -8.277 747 HG LEU 11 HG LEU 11 55.565 6.005 -6.932 748 1HD1 LEU 11 1HD1 LEU 11 58.040 5.479 -7.455 749 2HD1 LEU 11 2HD1 LEU 11 58.422 6.791 -6.341 750 3HD1 LEU 11 3HD1 LEU 11 57.537 5.377 -5.768 751 1HD2 LEU 11 1HD2 LEU 11 56.191 8.801 -6.426 752 2HD2 LEU 11 2HD2 LEU 11 55.083 7.737 -5.561 753 3HD2 LEU 11 3HD2 LEU 11 56.791 7.769 -5.127 754 H LEU 12 H LEU 12 56.657 5.119 -9.309 755 HA LEU 12 HA LEU 12 56.320 2.786 -9.490 756 1HB LEU 12 1HB LEU 12 54.164 3.906 -7.797 757 2HB LEU 12 2HB LEU 12 53.828 2.309 -8.467 758 HG LEU 12 HG LEU 12 56.197 1.679 -7.668 759 1HD1 LEU 12 1HD1 LEU 12 55.719 4.288 -6.214 760 2HD1 LEU 12 2HD1 LEU 12 56.844 3.066 -5.622 761 3HD1 LEU 12 3HD1 LEU 12 57.116 3.830 -7.188 762 1HD2 LEU 12 1HD2 LEU 12 53.660 1.872 -6.260 763 2HD2 LEU 12 2HD2 LEU 12 54.858 0.576 -6.223 764 3HD2 LEU 12 3HD2 LEU 12 55.017 1.954 -5.136 765 H GLY 13 H GLY 13 56.100 2.244 -11.642 766 1HA GLY 13 1HA GLY 13 54.953 1.559 -13.585 767 2HA GLY 13 2HA GLY 13 53.435 1.863 -12.736 768 H ALA 14 H ALA 14 55.902 4.325 -12.955 769 HA ALA 14 HA ALA 14 54.083 6.251 -14.091 770 1HB ALA 14 1HB ALA 14 56.715 6.086 -12.952 771 2HB ALA 14 2HB ALA 14 56.808 7.009 -14.451 772 3HB ALA 14 3HB ALA 14 55.709 7.519 -13.170 773 H ARG 15 H ARG 15 54.815 7.495 -16.159 774 HA ARG 15 HA ARG 15 55.367 5.478 -18.303 775 1HB ARG 15 1HB ARG 15 54.070 6.987 -19.710 776 2HB ARG 15 2HB ARG 15 53.173 6.712 -18.216 777 1HG ARG 15 1HG ARG 15 53.805 8.830 -17.325 778 2HG ARG 15 2HG ARG 15 55.049 9.058 -18.554 779 1HD ARG 15 1HD ARG 15 52.863 10.361 -18.918 780 2HD ARG 15 2HD ARG 15 53.395 9.362 -20.287 781 HE ARG 15 HE ARG 15 51.336 8.473 -18.298 782 1HH1 ARG 15 1HH2 ARG 15 51.418 9.486 -21.401 783 2HH1 ARG 15 2HH2 ARG 15 50.849 8.019 -22.128 784 1HH2 ARG 15 1HH1 ARG 15 51.189 6.141 -19.232 785 2HH2 ARG 15 2HH1 ARG 15 50.717 6.125 -20.899 786 H ALA 16 H ALA 16 56.806 8.014 -16.605 787 HA ALA 16 HA ALA 16 58.170 9.580 -18.491 788 1HB ALA 16 1HB ALA 16 58.580 8.596 -15.722 789 2HB ALA 16 2HB ALA 16 60.023 9.210 -16.529 790 3HB ALA 16 3HB ALA 16 58.610 10.247 -16.342 791 H LYS 17 H LYS 17 60.790 9.248 -18.603 792 HA LYS 17 HA LYS 17 61.241 6.461 -19.624 793 1HB LYS 17 1HB LYS 17 61.002 8.726 -21.107 794 2HB LYS 17 2HB LYS 17 62.736 8.749 -20.784 795 1HG LYS 17 1HG LYS 17 62.738 6.284 -21.513 796 2HG LYS 17 2HG LYS 17 61.127 6.595 -22.158 797 1HD LYS 17 1HD LYS 17 62.223 8.622 -23.349 798 2HD LYS 17 2HD LYS 17 63.752 7.816 -22.997 799 1HE LYS 17 1HE LYS 17 63.228 5.953 -24.350 800 2HE LYS 17 2HE LYS 17 61.490 6.313 -24.326 801 1HZ LYS 17 1HZ LYS 17 63.240 8.421 -25.310 802 2HZ LYS 17 2HZ LYS 17 63.079 7.061 -26.316 803 3HZ LYS 17 3HZ LYS 17 61.704 7.942 -25.856 Start of MODEL 23 1 1H MET 1 1H MET 1 62.480 -8.193 19.355 2 2H MET 1 2H MET 1 62.592 -9.506 20.424 3 3H MET 1 3H MET 1 63.086 -9.683 18.808 4 HA MET 1 HA MET 1 60.986 -10.712 18.886 5 1HB MET 1 1HB MET 1 60.747 -8.770 21.004 6 2HB MET 1 2HB MET 1 59.331 -8.671 19.957 7 1HG MET 1 1HG MET 1 60.415 -11.183 21.264 8 2HG MET 1 2HG MET 1 58.936 -10.331 21.709 9 1HE MET 1 1HE MET 1 57.877 -12.191 21.790 10 2HE MET 1 2HE MET 1 56.573 -12.094 20.610 11 3HE MET 1 3HE MET 1 57.675 -13.468 20.583 12 H ASP 2 H ASP 2 60.234 -10.561 16.815 13 HA ASP 2 HA ASP 2 59.069 -8.075 15.796 14 1HB ASP 2 1HB ASP 2 61.498 -7.686 15.558 15 2HB ASP 2 2HB ASP 2 61.652 -9.189 14.647 16 H ASP 3 H ASP 3 57.894 -10.575 16.122 17 HA ASP 3 HA ASP 3 57.954 -11.915 13.463 18 1HB ASP 3 1HB ASP 3 57.454 -12.613 16.247 19 2HB ASP 3 2HB ASP 3 56.159 -13.195 15.198 20 H ILE 4 H ILE 4 56.359 -9.354 14.808 21 HA ILE 4 HA ILE 4 53.628 -10.020 13.919 22 HB ILE 4 HB ILE 4 54.085 -8.678 15.935 23 1HG1 ILE 4 1HG1 ILE 4 52.992 -6.616 14.087 24 2HG1 ILE 4 2HG1 ILE 4 52.171 -8.177 14.093 25 1HG2 ILE 4 1HG2 ILE 4 55.987 -7.441 14.197 26 2HG2 ILE 4 2HG2 ILE 4 54.855 -6.201 14.734 27 3HG2 ILE 4 3HG2 ILE 4 55.742 -7.158 15.920 28 1HD1 ILE 4 1HD1 ILE 4 52.689 -7.528 16.803 29 2HD1 ILE 4 2HD1 ILE 4 52.037 -6.071 16.052 30 3HD1 ILE 4 3HD1 ILE 4 51.124 -7.578 15.992 31 H TYR 5 H TYR 5 56.170 -9.620 12.089 32 HA TYR 5 HA TYR 5 54.741 -7.905 10.094 33 1HB TYR 5 1HB TYR 5 57.635 -7.819 10.996 34 2HB TYR 5 2HB TYR 5 57.052 -7.003 9.545 35 HD1 TYR 5 HD1 TYR 5 54.768 -5.616 9.969 36 HD2 TYR 5 HD2 TYR 5 57.724 -6.548 12.943 37 HE1 TYR 5 HE1 TYR 5 53.975 -3.716 11.351 38 HE2 TYR 5 HE2 TYR 5 56.931 -4.648 14.325 39 HH TYR 5 HH TYR 5 54.946 -3.288 14.614 40 H LYS 6 H LYS 6 57.726 -9.897 10.352 41 HA LYS 6 HA LYS 6 57.874 -10.765 7.694 42 1HB LYS 6 1HB LYS 6 59.298 -12.467 8.568 43 2HB LYS 6 2HB LYS 6 59.423 -11.140 9.723 44 1HG LYS 6 1HG LYS 6 57.811 -12.218 11.200 45 2HG LYS 6 2HG LYS 6 57.547 -13.503 10.021 46 1HD LYS 6 1HD LYS 6 60.254 -12.901 11.237 47 2HD LYS 6 2HD LYS 6 59.142 -14.103 11.894 48 1HE LYS 6 1HE LYS 6 59.329 -14.575 9.083 49 2HE LYS 6 2HE LYS 6 60.978 -14.424 9.720 50 1HZ LYS 6 1HZ LYS 6 59.954 -15.808 11.671 51 2HZ LYS 6 2HZ LYS 6 58.863 -16.313 10.475 52 3HZ LYS 6 3HZ LYS 6 60.529 -16.584 10.273 53 H ALA 7 H ALA 7 55.693 -11.822 10.245 54 HA ALA 7 HA ALA 7 54.760 -14.239 8.964 55 1HB ALA 7 1HB ALA 7 53.613 -12.345 11.039 56 2HB ALA 7 2HB ALA 7 52.873 -13.891 10.623 57 3HB ALA 7 3HB ALA 7 54.485 -13.848 11.338 58 H ALA 8 H ALA 8 53.871 -10.829 8.758 59 HA ALA 8 HA ALA 8 51.375 -11.227 7.333 60 1HB ALA 8 1HB ALA 8 52.553 -9.201 8.670 61 2HB ALA 8 2HB ALA 8 52.998 -8.745 7.025 62 3HB ALA 8 3HB ALA 8 51.299 -8.926 7.461 63 H VAL 9 H VAL 9 54.759 -10.856 6.393 64 HA VAL 9 HA VAL 9 54.255 -10.390 3.577 65 HB VAL 9 HB VAL 9 56.698 -11.553 4.948 66 1HG1 VAL 9 1HG1 VAL 9 56.233 -9.989 2.398 67 2HG1 VAL 9 2HG1 VAL 9 57.831 -10.201 3.113 68 3HG1 VAL 9 3HG1 VAL 9 56.919 -11.605 2.559 69 1HG2 VAL 9 1HG2 VAL 9 55.636 -8.730 4.792 70 2HG2 VAL 9 2HG2 VAL 9 56.203 -9.609 6.211 71 3HG2 VAL 9 3HG2 VAL 9 57.358 -9.050 5.001 72 H GLU 10 H GLU 10 55.232 -13.286 5.450 73 HA GLU 10 HA GLU 10 55.467 -15.192 3.430 74 1HB GLU 10 1HB GLU 10 55.087 -15.065 6.246 75 2HB GLU 10 2HB GLU 10 53.937 -16.254 5.632 76 1HG GLU 10 1HG GLU 10 55.777 -17.387 4.415 77 2HG GLU 10 2HG GLU 10 56.920 -16.221 5.084 78 H GLN 11 H GLN 11 52.534 -13.685 4.671 79 HA GLN 11 HA GLN 11 50.767 -15.531 3.181 80 1HB GLN 11 1HB GLN 11 50.135 -12.997 4.720 81 2HB GLN 11 2HB GLN 11 49.027 -14.314 4.335 82 1HG GLN 11 1HG GLN 11 50.968 -15.702 5.624 83 2HG GLN 11 2HG GLN 11 51.098 -14.149 6.452 84 1HE2 GLN 11 2HE2 GLN 11 50.181 -15.302 8.397 85 2HE2 GLN 11 1HE2 GLN 11 48.504 -15.549 8.492 86 H LEU 12 H LEU 12 52.724 -13.314 2.026 87 HA LEU 12 HA LEU 12 51.416 -11.208 0.805 88 1HB LEU 12 1HB LEU 12 53.652 -13.041 0.151 89 2HB LEU 12 2HB LEU 12 53.019 -12.113 -1.209 90 HG LEU 12 HG LEU 12 53.832 -10.892 1.442 91 1HD1 LEU 12 1HD1 LEU 12 55.389 -11.696 -0.909 92 2HD1 LEU 12 2HD1 LEU 12 55.576 -9.987 -0.511 93 3HD1 LEU 12 3HD1 LEU 12 55.946 -11.220 0.695 94 1HD2 LEU 12 1HD2 LEU 12 52.350 -9.947 -0.835 95 2HD2 LEU 12 2HD2 LEU 12 52.780 -9.070 0.633 96 3HD2 LEU 12 3HD2 LEU 12 53.880 -9.074 -0.746 97 H THR 13 H THR 13 50.702 -11.088 -1.575 98 HA THR 13 HA THR 13 49.207 -13.544 -2.410 99 HB THR 13 HB THR 13 47.582 -11.396 -3.080 100 HG1 THR 13 HG1 THR 13 47.906 -9.873 -1.694 101 1HG2 THR 13 1HG2 THR 13 47.642 -13.393 -0.842 102 2HG2 THR 13 2HG2 THR 13 46.381 -12.161 -0.868 103 3HG2 THR 13 3HG2 THR 13 46.540 -13.289 -2.215 104 H GLU 14 H GLU 14 49.020 -13.770 -4.684 105 HA GLU 14 HA GLU 14 51.016 -12.794 -6.379 106 1HB GLU 14 1HB GLU 14 49.397 -13.448 -8.189 107 2HB GLU 14 2HB GLU 14 49.531 -14.657 -6.912 108 1HG GLU 14 1HG GLU 14 47.530 -13.454 -5.814 109 2HG GLU 14 2HG GLU 14 47.309 -12.671 -7.379 110 H GLU 15 H GLU 15 47.956 -11.273 -5.485 111 HA GLU 15 HA GLU 15 48.115 -9.156 -7.487 112 1HB GLU 15 1HB GLU 15 46.114 -10.214 -6.142 113 2HB GLU 15 2HB GLU 15 46.558 -9.025 -4.917 114 1HG GLU 15 1HG GLU 15 45.343 -7.521 -6.076 115 2HG GLU 15 2HG GLU 15 46.587 -7.597 -7.324 116 H GLN 16 H GLN 16 48.998 -9.508 -4.063 117 HA GLN 16 HA GLN 16 49.674 -6.726 -3.638 118 1HB GLN 16 1HB GLN 16 49.126 -8.195 -1.800 119 2HB GLN 16 2HB GLN 16 50.384 -9.337 -2.272 120 1HG GLN 16 1HG GLN 16 51.380 -8.141 -0.504 121 2HG GLN 16 2HG GLN 16 52.015 -7.341 -1.942 122 1HE2 GLN 16 2HE2 GLN 16 49.213 -7.081 0.323 123 2HE2 GLN 16 1HE2 GLN 16 49.147 -5.386 0.273 124 H LYS 17 H LYS 17 51.599 -9.638 -4.408 125 HA LYS 17 HA LYS 17 54.197 -8.653 -4.299 126 1HB LYS 17 1HB LYS 17 52.845 -10.857 -5.311 127 2HB LYS 17 2HB LYS 17 53.618 -10.173 -6.741 128 1HG LYS 17 1HG LYS 17 55.671 -10.817 -6.054 129 2HG LYS 17 2HG LYS 17 55.400 -10.192 -4.427 130 1HD LYS 17 1HD LYS 17 53.791 -12.314 -4.275 131 2HD LYS 17 2HD LYS 17 54.883 -12.924 -5.516 132 1HE LYS 17 1HE LYS 17 56.264 -11.628 -3.252 133 2HE LYS 17 2HE LYS 17 55.382 -13.108 -2.823 134 1HZ LYS 17 1HZ LYS 17 57.196 -12.854 -5.163 135 2HZ LYS 17 2HZ LYS 17 57.646 -13.549 -3.679 136 3HZ LYS 17 3HZ LYS 17 56.428 -14.268 -4.622 137 H ASN 18 H ASN 18 51.875 -8.261 -6.989 138 HA ASN 18 HA ASN 18 53.678 -6.737 -8.661 139 1HB ASN 18 1HB ASN 18 50.648 -6.794 -8.640 140 2HB ASN 18 2HB ASN 18 51.696 -6.458 -10.018 141 1HD2 ASN 18 2HD2 ASN 18 49.685 -8.753 -9.388 142 2HD2 ASN 18 1HD2 ASN 18 50.574 -10.157 -9.730 143 H GLU 19 H GLU 19 52.029 -5.937 -5.801 144 HA GLU 19 HA GLU 19 51.578 -3.101 -6.495 145 1HB GLU 19 1HB GLU 19 51.274 -4.700 -3.935 146 2HB GLU 19 2HB GLU 19 50.693 -3.053 -4.176 147 1HG GLU 19 1HG GLU 19 49.871 -5.225 -6.087 148 2HG GLU 19 2HG GLU 19 49.036 -5.049 -4.543 149 H PHE 20 H PHE 20 53.566 -4.907 -4.104 150 HA PHE 20 HA PHE 20 55.031 -2.518 -3.322 151 1HB PHE 20 1HB PHE 20 55.955 -3.940 -1.727 152 2HB PHE 20 2HB PHE 20 54.456 -4.787 -2.096 153 HD1 PHE 20 HD1 PHE 20 54.645 -6.461 -4.198 154 HD2 PHE 20 HD2 PHE 20 57.925 -5.163 -1.745 155 HE1 PHE 20 HE1 PHE 20 55.957 -8.449 -4.895 156 HE2 PHE 20 HE2 PHE 20 59.235 -7.149 -2.444 157 HZ PHE 20 HZ PHE 20 58.250 -8.791 -4.018 158 H LYS 21 H LYS 21 55.579 -5.140 -5.629 159 HA LYS 21 HA LYS 21 58.367 -4.756 -6.071 160 1HB LYS 21 1HB LYS 21 57.999 -6.178 -7.900 161 2HB LYS 21 2HB LYS 21 56.632 -6.556 -6.855 162 1HG LYS 21 1HG LYS 21 55.421 -6.174 -8.750 163 2HG LYS 21 2HG LYS 21 55.596 -4.484 -8.278 164 1HD LYS 21 1HD LYS 21 56.527 -4.215 -10.330 165 2HD LYS 21 2HD LYS 21 57.957 -4.949 -9.601 166 1HE LYS 21 1HE LYS 21 57.269 -7.167 -10.365 167 2HE LYS 21 2HE LYS 21 55.751 -6.505 -11.001 168 1HZ LYS 21 1HZ LYS 21 57.556 -4.846 -12.076 169 2HZ LYS 21 2HZ LYS 21 58.440 -6.294 -12.063 170 3HZ LYS 21 3HZ LYS 21 56.946 -6.219 -12.868 171 H ALA 22 H ALA 22 55.654 -2.782 -6.909 172 HA ALA 22 HA ALA 22 56.823 -1.411 -9.186 173 1HB ALA 22 1HB ALA 22 54.401 -1.533 -8.685 174 2HB ALA 22 2HB ALA 22 54.666 -0.624 -7.197 175 3HB ALA 22 3HB ALA 22 54.939 0.146 -8.760 176 H ALA 23 H ALA 23 56.228 -0.278 -5.826 177 HA ALA 23 HA ALA 23 57.872 2.049 -6.023 178 1HB ALA 23 1HB ALA 23 56.445 0.472 -4.018 179 2HB ALA 23 2HB ALA 23 57.924 1.178 -3.367 180 3HB ALA 23 3HB ALA 23 56.696 2.217 -4.089 181 H PHE 24 H PHE 24 58.613 -1.324 -5.471 182 HA PHE 24 HA PHE 24 61.242 -1.027 -4.344 183 1HB PHE 24 1HB PHE 24 60.214 -3.140 -4.158 184 2HB PHE 24 2HB PHE 24 59.692 -3.135 -5.842 185 HD1 PHE 24 HD1 PHE 24 61.352 -3.502 -7.669 186 HD2 PHE 24 HD2 PHE 24 62.397 -3.927 -3.524 187 HE1 PHE 24 HE1 PHE 24 63.396 -4.747 -8.314 188 HE2 PHE 24 HE2 PHE 24 64.443 -5.174 -4.169 189 HZ PHE 24 HZ PHE 24 64.941 -5.585 -6.564 190 H ASP 25 H ASP 25 60.020 -1.200 -7.680 191 HA ASP 25 HA ASP 25 62.571 -1.305 -8.998 192 1HB ASP 25 1HB ASP 25 59.844 -1.318 -9.635 193 2HB ASP 25 2HB ASP 25 60.461 0.143 -10.408 194 H ILE 26 H ILE 26 60.409 1.426 -8.173 195 HA ILE 26 HA ILE 26 62.220 3.461 -9.185 196 HB ILE 26 HB ILE 26 59.808 3.412 -7.356 197 1HG1 ILE 26 1HG1 ILE 26 59.119 4.871 -9.518 198 2HG1 ILE 26 2HG1 ILE 26 60.353 3.846 -10.251 199 1HG2 ILE 26 1HG2 ILE 26 61.306 5.312 -6.755 200 2HG2 ILE 26 2HG2 ILE 26 61.263 5.846 -8.436 201 3HG2 ILE 26 3HG2 ILE 26 59.789 5.856 -7.469 202 1HD1 ILE 26 1HD1 ILE 26 58.079 2.760 -8.573 203 2HD1 ILE 26 2HD1 ILE 26 58.005 2.897 -10.331 204 3HD1 ILE 26 3HD1 ILE 26 59.204 1.845 -9.578 205 H PHE 27 H PHE 27 61.697 1.904 -6.053 206 HA PHE 27 HA PHE 27 63.146 3.694 -4.374 207 1HB PHE 27 1HB PHE 27 62.266 0.850 -4.395 208 2HB PHE 27 2HB PHE 27 63.521 1.272 -3.230 209 HD1 PHE 27 HD1 PHE 27 60.975 3.660 -4.441 210 HD2 PHE 27 HD2 PHE 27 62.151 1.042 -1.245 211 HE1 PHE 27 HE1 PHE 27 59.266 4.691 -2.969 212 HE2 PHE 27 HE2 PHE 27 60.441 2.071 0.227 213 HZ PHE 27 HZ PHE 27 58.999 3.896 -0.635 214 H VAL 28 H VAL 28 64.255 1.440 -6.785 215 HA VAL 28 HA VAL 28 67.056 1.651 -5.742 216 HB VAL 28 HB VAL 28 67.431 -0.379 -7.049 217 1HG1 VAL 28 1HG1 VAL 28 65.166 -0.182 -5.137 218 2HG1 VAL 28 2HG1 VAL 28 65.266 -1.679 -6.066 219 3HG1 VAL 28 3HG1 VAL 28 66.623 -1.174 -5.060 220 1HG2 VAL 28 1HG2 VAL 28 65.871 0.358 -8.916 221 2HG2 VAL 28 2HG2 VAL 28 65.743 -1.341 -8.465 222 3HG2 VAL 28 3HG2 VAL 28 64.532 -0.188 -7.907 223 H LEU 29 H LEU 29 65.218 3.414 -7.686 224 HA LEU 29 HA LEU 29 66.268 3.468 -10.280 225 1HB LEU 29 1HB LEU 29 64.504 4.922 -8.893 226 2HB LEU 29 2HB LEU 29 65.868 6.037 -8.796 227 HG LEU 29 HG LEU 29 64.994 4.820 -11.419 228 1HD1 LEU 29 1HD1 LEU 29 63.442 6.562 -9.851 229 2HD1 LEU 29 2HD1 LEU 29 64.217 7.594 -11.055 230 3HD1 LEU 29 3HD1 LEU 29 63.235 6.222 -11.569 231 1HD2 LEU 29 1HD2 LEU 29 67.273 5.913 -11.109 232 2HD2 LEU 29 2HD2 LEU 29 66.269 6.620 -12.374 233 3HD2 LEU 29 3HD2 LEU 29 66.417 7.425 -10.813 234 H GLY 30 H GLY 30 68.536 2.930 -10.217 235 1HA GLY 30 1HA GLY 30 70.578 4.410 -10.675 236 2HA GLY 30 2HA GLY 30 70.296 5.051 -9.055 237 H ALA 31 H ALA 31 69.445 2.314 -8.124 238 HA ALA 31 HA ALA 31 71.832 1.418 -6.940 239 1HB ALA 31 1HB ALA 31 69.174 0.784 -6.875 240 2HB ALA 31 2HB ALA 31 69.836 -0.643 -7.674 241 3HB ALA 31 3HB ALA 31 70.426 -0.171 -6.081 242 H GLU 32 H GLU 32 73.486 0.050 -7.613 243 HA GLU 32 HA GLU 32 74.042 -0.329 -10.375 244 1HB GLU 32 1HB GLU 32 75.250 -0.726 -7.875 245 2HB GLU 32 2HB GLU 32 75.234 -2.324 -8.622 246 1HG GLU 32 1HG GLU 32 76.170 -1.220 -10.718 247 2HG GLU 32 2HG GLU 32 76.426 0.223 -9.738 248 H ASP 33 H ASP 33 72.742 -2.645 -7.966 249 HA ASP 33 HA ASP 33 71.985 -4.444 -10.243 250 1HB ASP 33 1HB ASP 33 73.573 -4.984 -8.148 251 2HB ASP 33 2HB ASP 33 72.019 -5.341 -7.395 252 H GLY 34 H GLY 34 70.795 -4.046 -6.888 253 1HA GLY 34 1HA GLY 34 68.219 -3.016 -7.671 254 2HA GLY 34 2HA GLY 34 68.129 -4.757 -7.397 255 H CYS 35 H CYS 35 70.136 -2.366 -5.696 256 HA CYS 35 HA CYS 35 68.740 -3.161 -3.162 257 1HB CYS 35 1HB CYS 35 71.566 -2.145 -3.606 258 2HB CYS 35 2HB CYS 35 70.905 -2.777 -2.099 259 HG CYS 35 HG CYS 35 72.196 -4.503 -4.051 260 H ILE 36 H ILE 36 68.527 -1.417 -1.547 261 HA ILE 36 HA ILE 36 68.489 1.316 -2.798 262 HB ILE 36 HB ILE 36 66.659 0.091 -0.705 263 1HG1 ILE 36 1HG1 ILE 36 65.779 0.840 -3.470 264 2HG1 ILE 36 2HG1 ILE 36 66.641 -0.683 -3.249 265 1HG2 ILE 36 1HG2 ILE 36 66.880 2.786 -2.001 266 2HG2 ILE 36 2HG2 ILE 36 65.281 2.176 -1.576 267 3HG2 ILE 36 3HG2 ILE 36 66.508 2.379 -0.326 268 1HD1 ILE 36 1HD1 ILE 36 65.011 -1.288 -1.448 269 2HD1 ILE 36 2HD1 ILE 36 64.107 0.179 -1.824 270 3HD1 ILE 36 3HD1 ILE 36 64.253 -1.100 -3.030 271 H SER 37 H SER 37 68.607 3.074 -1.104 272 HA SER 37 HA SER 37 69.808 2.385 1.491 273 1HB SER 37 1HB SER 37 71.960 3.351 0.994 274 2HB SER 37 2HB SER 37 71.602 2.224 -0.310 275 HG SER 37 HG SER 37 72.119 4.806 -0.480 276 H THR 38 H THR 38 70.027 5.217 -0.669 277 HA THR 38 HA THR 38 68.020 6.706 0.893 278 HB THR 38 HB THR 38 69.719 8.441 1.530 279 HG1 THR 38 HG1 THR 38 71.831 8.064 1.154 280 1HG2 THR 38 1HG2 THR 38 69.036 6.495 3.026 281 2HG2 THR 38 2HG2 THR 38 70.543 5.717 2.544 282 3HG2 THR 38 3HG2 THR 38 70.582 7.252 3.409 283 H LYS 39 H LYS 39 70.606 6.761 -1.553 284 HA LYS 39 HA LYS 39 69.642 9.112 -2.946 285 1HB LYS 39 1HB LYS 39 71.935 7.751 -2.911 286 2HB LYS 39 2HB LYS 39 71.187 6.902 -4.263 287 1HG LYS 39 1HG LYS 39 71.496 8.653 -5.653 288 2HG LYS 39 2HG LYS 39 70.850 9.793 -4.471 289 1HD LYS 39 1HD LYS 39 72.932 10.506 -4.011 290 2HD LYS 39 2HD LYS 39 73.385 8.874 -3.520 291 1HE LYS 39 1HE LYS 39 73.421 8.589 -6.232 292 2HE LYS 39 2HE LYS 39 73.927 10.283 -6.069 293 1HZ LYS 39 1HZ LYS 39 75.451 9.501 -4.262 294 2HZ LYS 39 2HZ LYS 39 75.111 7.907 -4.744 295 3HZ LYS 39 3HZ LYS 39 75.871 8.975 -5.820 296 H GLU 40 H GLU 40 69.100 5.627 -3.214 297 HA GLU 40 HA GLU 40 67.444 5.855 -5.633 298 1HB GLU 40 1HB GLU 40 67.666 3.521 -3.717 299 2HB GLU 40 2HB GLU 40 67.371 3.476 -5.454 300 1HG GLU 40 1HG GLU 40 69.596 3.065 -5.615 301 2HG GLU 40 2HG GLU 40 69.778 4.797 -5.329 302 H LEU 41 H LEU 41 67.022 5.517 -2.147 303 HA LEU 41 HA LEU 41 64.117 5.172 -2.285 304 1HB LEU 41 1HB LEU 41 65.806 4.296 -0.553 305 2HB LEU 41 2HB LEU 41 65.844 5.942 0.080 306 HG LEU 41 HG LEU 41 64.208 4.555 1.306 307 1HD1 LEU 41 1HD1 LEU 41 63.874 7.055 0.700 308 2HD1 LEU 41 2HD1 LEU 41 62.656 6.465 -0.433 309 3HD1 LEU 41 3HD1 LEU 41 62.476 6.155 1.296 310 1HD2 LEU 41 1HD2 LEU 41 63.697 3.473 -1.209 311 2HD2 LEU 41 2HD2 LEU 41 62.761 3.169 0.254 312 3HD2 LEU 41 3HD2 LEU 41 62.256 4.432 -0.869 313 H GLY 42 H GLY 42 66.313 7.769 -1.140 314 1HA GLY 42 1HA GLY 42 64.379 9.690 -0.476 315 2HA GLY 42 2HA GLY 42 65.987 10.096 -1.081 316 H LYS 43 H LYS 43 65.492 8.669 -3.649 317 HA LYS 43 HA LYS 43 64.626 10.808 -5.266 318 1HB LYS 43 1HB LYS 43 64.920 7.844 -5.512 319 2HB LYS 43 2HB LYS 43 64.062 8.683 -6.805 320 1HG LYS 43 1HG LYS 43 66.525 10.046 -5.961 321 2HG LYS 43 2HG LYS 43 66.805 8.439 -6.632 322 1HD LYS 43 1HD LYS 43 66.808 10.249 -8.368 323 2HD LYS 43 2HD LYS 43 65.585 9.011 -8.652 324 1HE LYS 43 1HE LYS 43 63.888 10.477 -7.543 325 2HE LYS 43 2HE LYS 43 65.125 11.741 -7.397 326 1HZ LYS 43 1HZ LYS 43 64.881 10.483 -10.005 327 2HZ LYS 43 2HZ LYS 43 63.581 11.471 -9.549 328 3HZ LYS 43 3HZ LYS 43 65.153 12.112 -9.608 329 H VAL 44 H VAL 44 62.745 8.319 -3.616 330 HA VAL 44 HA VAL 44 60.247 8.882 -5.003 331 HB VAL 44 HB VAL 44 61.052 7.422 -2.473 332 1HG1 VAL 44 1HG1 VAL 44 58.451 8.374 -3.232 333 2HG1 VAL 44 2HG1 VAL 44 58.473 6.616 -3.364 334 3HG1 VAL 44 3HG1 VAL 44 58.893 7.392 -1.838 335 1HG2 VAL 44 1HG2 VAL 44 61.221 6.772 -5.187 336 2HG2 VAL 44 2HG2 VAL 44 61.323 5.640 -3.838 337 3HG2 VAL 44 3HG2 VAL 44 59.774 5.931 -4.630 338 H MET 45 H MET 45 61.752 9.902 -1.948 339 HA MET 45 HA MET 45 59.654 11.174 -0.633 340 1HB MET 45 1HB MET 45 62.587 11.629 -0.973 341 2HB MET 45 2HB MET 45 61.660 12.885 -0.151 342 1HG MET 45 1HG MET 45 62.403 11.376 1.557 343 2HG MET 45 2HG MET 45 60.689 11.041 1.312 344 1HE MET 45 1HE MET 45 59.688 9.531 0.266 345 2HE MET 45 2HE MET 45 60.343 8.555 -1.056 346 3HE MET 45 3HE MET 45 60.135 7.851 0.546 347 H ARG 46 H ARG 46 61.912 13.066 -2.666 348 HA ARG 46 HA ARG 46 60.209 15.310 -2.997 349 1HB ARG 46 1HB ARG 46 62.690 14.206 -4.068 350 2HB ARG 46 2HB ARG 46 61.795 15.102 -5.296 351 1HG ARG 46 1HG ARG 46 62.306 17.074 -4.335 352 2HG ARG 46 2HG ARG 46 61.756 16.510 -2.757 353 1HD ARG 46 1HD ARG 46 64.101 16.993 -2.506 354 2HD ARG 46 2HD ARG 46 63.989 15.225 -2.621 355 HE ARG 46 HE ARG 46 64.466 16.858 -5.078 356 1HH1 ARG 46 1HH2 ARG 46 66.479 15.660 -2.822 357 2HH1 ARG 46 2HH2 ARG 46 67.226 14.445 -3.805 358 1HH2 ARG 46 1HH1 ARG 46 64.916 14.729 -6.376 359 2HH2 ARG 46 2HH1 ARG 46 66.340 13.917 -5.816 360 H MET 47 H MET 47 60.049 12.168 -4.419 361 HA MET 47 HA MET 47 58.544 12.989 -6.807 362 1HB MET 47 1HB MET 47 59.721 10.567 -5.592 363 2HB MET 47 2HB MET 47 58.244 10.274 -6.511 364 1HG MET 47 1HG MET 47 59.172 11.161 -8.502 365 2HG MET 47 2HG MET 47 60.489 11.949 -7.634 366 1HE MET 47 1HE MET 47 58.618 8.850 -7.812 367 2HE MET 47 2HE MET 47 59.683 7.620 -8.504 368 3HE MET 47 3HE MET 47 59.658 7.890 -6.764 369 H LEU 48 H LEU 48 57.844 11.650 -3.589 370 HA LEU 48 HA LEU 48 55.032 11.151 -4.122 371 1HB LEU 48 1HB LEU 48 56.544 11.558 -1.519 372 2HB LEU 48 2HB LEU 48 54.977 10.765 -1.695 373 HG LEU 48 HG LEU 48 57.241 9.745 -3.349 374 1HD1 LEU 48 1HD1 LEU 48 57.244 9.851 -0.424 375 2HD1 LEU 48 2HD1 LEU 48 57.344 8.201 -1.040 376 3HD1 LEU 48 3HD1 LEU 48 58.542 9.399 -1.528 377 1HD2 LEU 48 1HD2 LEU 48 54.838 8.575 -1.926 378 2HD2 LEU 48 2HD2 LEU 48 55.103 8.713 -3.664 379 3HD2 LEU 48 3HD2 LEU 48 56.058 7.574 -2.715 380 H GLY 49 H GLY 49 56.903 13.867 -2.839 381 1HA GLY 49 1HA GLY 49 55.797 16.106 -3.373 382 2HA GLY 49 2HA GLY 49 54.359 15.424 -2.614 383 H GLN 50 H GLN 50 57.531 14.723 -1.319 384 HA GLN 50 HA GLN 50 57.279 16.823 0.759 385 1HB GLN 50 1HB GLN 50 56.134 14.311 1.072 386 2HB GLN 50 2HB GLN 50 57.684 14.150 1.899 387 1HG GLN 50 1HG GLN 50 56.929 15.371 3.630 388 2HG GLN 50 2HG GLN 50 56.524 16.703 2.547 389 1HE2 GLN 50 2HE2 GLN 50 54.551 16.988 3.967 390 2HE2 GLN 50 1HE2 GLN 50 53.203 15.991 3.704 391 H ASN 51 H ASN 51 59.193 16.031 2.514 392 HA ASN 51 HA ASN 51 61.522 14.781 1.376 393 1HB ASN 51 1HB ASN 51 62.789 16.960 1.035 394 2HB ASN 51 2HB ASN 51 61.498 16.663 -0.131 395 1HD2 ASN 51 2HD2 ASN 51 62.650 18.883 2.247 396 2HD2 ASN 51 1HD2 ASN 51 61.293 19.901 2.272 397 HA PRO 52 HA PRO 52 61.710 15.503 5.885 398 1HB PRO 52 1HB PRO 52 62.775 13.050 6.458 399 2HB PRO 52 2HB PRO 52 61.033 13.319 6.257 400 1HG PRO 52 1HG PRO 52 63.004 12.181 4.341 401 2HG PRO 52 2HG PRO 52 61.326 11.709 4.648 402 1HD PRO 52 1HD PRO 52 62.107 13.219 2.511 403 2HD PRO 52 2HD PRO 52 60.485 13.296 3.233 404 H THR 53 H THR 53 63.886 14.570 7.270 405 HA THR 53 HA THR 53 66.106 16.076 6.062 406 HB THR 53 HB THR 53 67.097 15.127 8.357 407 HG1 THR 53 HG1 THR 53 65.552 14.470 9.729 408 1HG2 THR 53 1HG2 THR 53 65.698 17.442 7.547 409 2HG2 THR 53 2HG2 THR 53 65.021 16.982 9.110 410 3HG2 THR 53 3HG2 THR 53 66.754 17.267 8.948 411 HA PRO 54 HA PRO 54 68.388 12.651 4.530 412 1HB PRO 54 1HB PRO 54 70.954 13.264 5.271 413 2HB PRO 54 2HB PRO 54 70.092 14.117 3.974 414 1HG PRO 54 1HG PRO 54 70.547 14.936 6.801 415 2HG PRO 54 2HG PRO 54 70.585 15.912 5.323 416 1HD PRO 54 1HD PRO 54 68.473 15.890 7.037 417 2HD PRO 54 2HD PRO 54 68.308 16.193 5.293 418 H GLU 55 H GLU 55 68.407 13.391 7.899 419 HA GLU 55 HA GLU 55 69.909 11.030 8.766 420 1HB GLU 55 1HB GLU 55 69.476 13.390 9.869 421 2HB GLU 55 2HB GLU 55 68.004 12.622 10.464 422 1HG GLU 55 1HG GLU 55 69.534 10.712 11.269 423 2HG GLU 55 2HG GLU 55 70.869 11.834 11.000 424 H GLU 56 H GLU 56 66.479 12.008 8.611 425 HA GLU 56 HA GLU 56 65.398 9.611 9.773 426 1HB GLU 56 1HB GLU 56 64.203 11.754 9.563 427 2HB GLU 56 2HB GLU 56 64.265 11.628 7.805 428 1HG GLU 56 1HG GLU 56 63.136 9.245 8.366 429 2HG GLU 56 2HG GLU 56 62.550 10.170 9.749 430 H LEU 57 H LEU 57 66.634 10.365 6.603 431 HA LEU 57 HA LEU 57 65.259 8.390 5.048 432 1HB LEU 57 1HB LEU 57 67.361 10.315 4.813 433 2HB LEU 57 2HB LEU 57 67.955 8.788 4.162 434 HG LEU 57 HG LEU 57 65.469 10.301 3.337 435 1HD1 LEU 57 1HD1 LEU 57 68.173 9.826 2.239 436 2HD1 LEU 57 2HD1 LEU 57 66.855 9.619 1.085 437 3HD1 LEU 57 3HD1 LEU 57 67.051 11.152 1.935 438 1HD2 LEU 57 1HD2 LEU 57 66.269 7.433 2.963 439 2HD2 LEU 57 2HD2 LEU 57 64.668 8.116 3.246 440 3HD2 LEU 57 3HD2 LEU 57 65.419 8.257 1.656 441 H GLN 58 H GLN 58 68.538 8.278 6.502 442 HA GLN 58 HA GLN 58 69.173 5.600 5.918 443 1HB GLN 58 1HB GLN 58 70.064 7.754 7.598 444 2HB GLN 58 2HB GLN 58 70.119 6.255 8.527 445 1HG GLN 58 1HG GLN 58 71.092 5.665 5.919 446 2HG GLN 58 2HG GLN 58 71.905 7.134 6.462 447 1HE2 GLN 58 2HE2 GLN 58 72.076 3.767 6.623 448 2HE2 GLN 58 1HE2 GLN 58 73.046 3.625 8.008 449 H GLU 59 H GLU 59 67.155 6.923 8.516 450 HA GLU 59 HA GLU 59 66.892 4.636 10.161 451 1HB GLU 59 1HB GLU 59 65.969 7.152 10.183 452 2HB GLU 59 2HB GLU 59 64.521 6.355 9.566 453 1HG GLU 59 1HG GLU 59 64.080 5.354 11.553 454 2HG GLU 59 2HG GLU 59 65.776 4.954 11.829 455 H MET 60 H MET 60 65.185 5.512 7.162 456 HA MET 60 HA MET 60 63.250 3.398 7.201 457 1HB MET 60 1HB MET 60 64.485 5.276 5.235 458 2HB MET 60 2HB MET 60 63.612 3.891 4.576 459 1HG MET 60 1HG MET 60 61.618 4.500 5.857 460 2HG MET 60 2HG MET 60 62.483 5.840 6.607 461 1HE MET 60 1HE MET 60 60.826 4.213 4.015 462 2HE MET 60 2HE MET 60 59.973 5.533 3.220 463 3HE MET 60 3HE MET 60 61.429 4.844 2.486 464 H ILE 61 H ILE 61 66.643 3.352 6.770 465 HA ILE 61 HA ILE 61 66.591 0.785 5.265 466 HB ILE 61 HB ILE 61 68.724 2.800 6.013 467 1HG1 ILE 61 1HG1 ILE 61 68.785 2.638 3.343 468 2HG1 ILE 61 2HG1 ILE 61 67.117 2.120 3.590 469 1HG2 ILE 61 1HG2 ILE 61 69.284 0.167 5.824 470 2HG2 ILE 61 2HG2 ILE 61 69.313 0.585 4.111 471 3HG2 ILE 61 3HG2 ILE 61 70.385 1.413 5.239 472 1HD1 ILE 61 1HD1 ILE 61 66.884 4.182 5.111 473 2HD1 ILE 61 2HD1 ILE 61 68.397 4.735 4.392 474 3HD1 ILE 61 3HD1 ILE 61 66.979 4.477 3.376 475 H ASP 62 H ASP 62 68.552 2.075 7.972 476 HA ASP 62 HA ASP 62 69.381 -0.350 9.094 477 1HB ASP 62 1HB ASP 62 70.035 2.012 9.699 478 2HB ASP 62 2HB ASP 62 68.519 2.144 10.592 479 H GLU 63 H GLU 63 66.209 1.126 9.197 480 HA GLU 63 HA GLU 63 65.058 -0.089 11.468 481 1HB GLU 63 1HB GLU 63 64.249 1.151 8.954 482 2HB GLU 63 2HB GLU 63 63.116 -0.107 9.451 483 1HG GLU 63 1HG GLU 63 62.924 0.930 11.677 484 2HG GLU 63 2HG GLU 63 64.068 2.183 11.196 485 H VAL 64 H VAL 64 65.096 -1.353 8.108 486 HA VAL 64 HA VAL 64 64.443 -4.062 9.195 487 HB VAL 64 HB VAL 64 63.757 -4.488 6.847 488 1HG1 VAL 64 1HG1 VAL 64 62.692 -2.177 8.420 489 2HG1 VAL 64 2HG1 VAL 64 62.058 -2.434 6.795 490 3HG1 VAL 64 3HG1 VAL 64 61.914 -3.705 8.008 491 1HG2 VAL 64 1HG2 VAL 64 65.547 -2.684 6.088 492 2HG2 VAL 64 2HG2 VAL 64 64.092 -2.956 5.128 493 3HG2 VAL 64 3HG2 VAL 64 64.178 -1.582 6.231 494 H ASP 65 H ASP 65 67.175 -2.637 9.029 495 HA ASP 65 HA ASP 65 68.663 -4.189 7.027 496 1HB ASP 65 1HB ASP 65 69.080 -1.796 7.895 497 2HB ASP 65 2HB ASP 65 69.743 -2.564 9.338 498 H GLU 66 H GLU 66 69.168 -6.305 7.428 499 HA GLU 66 HA GLU 66 69.485 -7.198 10.266 500 1HB GLU 66 1HB GLU 66 68.328 -8.252 7.805 501 2HB GLU 66 2HB GLU 66 69.454 -9.400 8.530 502 1HG GLU 66 1HG GLU 66 67.283 -9.817 9.494 503 2HG GLU 66 2HG GLU 66 68.268 -9.036 10.732 504 H ASP 67 H ASP 67 71.433 -6.002 7.977 505 HA ASP 67 HA ASP 67 73.681 -7.847 8.696 506 1HB ASP 67 1HB ASP 67 74.438 -7.323 6.270 507 2HB ASP 67 2HB ASP 67 73.102 -8.454 6.477 508 H GLY 68 H GLY 68 72.539 -4.866 9.168 509 1HA GLY 68 1HA GLY 68 73.489 -2.730 9.464 510 2HA GLY 68 2HA GLY 68 74.881 -3.648 10.042 511 H SER 69 H SER 69 73.423 -3.281 6.795 512 HA SER 69 HA SER 69 76.162 -2.737 5.735 513 1HB SER 69 1HB SER 69 75.125 -3.413 3.596 514 2HB SER 69 2HB SER 69 74.840 -4.629 4.837 515 HG SER 69 HG SER 69 72.799 -4.309 4.509 516 H GLY 70 H GLY 70 72.894 -1.389 5.937 517 1HA GLY 70 1HA GLY 70 72.503 1.006 5.938 518 2HA GLY 70 2HA GLY 70 73.999 1.219 5.025 519 H THR 71 H THR 71 72.073 -1.378 3.928 520 HA THR 71 HA THR 71 70.821 0.338 1.812 521 HB THR 71 HB THR 71 71.507 -1.754 0.347 522 HG1 THR 71 HG1 THR 71 73.766 -2.187 1.422 523 1HG2 THR 71 1HG2 THR 71 73.526 0.294 1.304 524 2HG2 THR 71 2HG2 THR 71 73.635 -0.634 -0.191 525 3HG2 THR 71 3HG2 THR 71 72.340 0.543 0.023 526 H VAL 72 H VAL 72 69.263 -1.212 0.472 527 HA VAL 72 HA VAL 72 67.966 -3.212 2.266 528 HB VAL 72 HB VAL 72 66.694 -0.791 0.956 529 1HG1 VAL 72 1HG1 VAL 72 65.573 -3.368 1.636 530 2HG1 VAL 72 2HG1 VAL 72 64.868 -2.116 2.658 531 3HG1 VAL 72 3HG1 VAL 72 64.778 -1.976 0.902 532 1HG2 VAL 72 1HG2 VAL 72 67.170 -1.666 3.813 533 2HG2 VAL 72 2HG2 VAL 72 67.760 -0.204 3.021 534 3HG2 VAL 72 3HG2 VAL 72 66.042 -0.378 3.386 535 H ASP 73 H ASP 73 66.698 -4.763 1.107 536 HA ASP 73 HA ASP 73 66.967 -4.675 -1.881 537 1HB ASP 73 1HB ASP 73 67.540 -6.852 0.134 538 2HB ASP 73 2HB ASP 73 67.255 -7.226 -1.566 539 H PHE 74 H PHE 74 65.462 -6.600 -2.761 540 HA PHE 74 HA PHE 74 62.763 -5.923 -2.325 541 1HB PHE 74 1HB PHE 74 64.324 -7.770 -3.814 542 2HB PHE 74 2HB PHE 74 63.061 -8.708 -3.017 543 HD1 PHE 74 HD1 PHE 74 61.008 -6.424 -2.860 544 HD2 PHE 74 HD2 PHE 74 63.458 -7.903 -6.063 545 HE1 PHE 74 HE1 PHE 74 59.350 -5.598 -4.509 546 HE2 PHE 74 HE2 PHE 74 61.800 -7.078 -7.711 547 HZ PHE 74 HZ PHE 74 59.746 -5.925 -6.935 548 H ASP 75 H ASP 75 64.881 -7.824 -0.353 549 HA ASP 75 HA ASP 75 62.706 -9.268 1.025 550 1HB ASP 75 1HB ASP 75 65.710 -9.090 1.163 551 2HB ASP 75 2HB ASP 75 64.814 -9.888 2.456 552 H GLU 76 H GLU 76 65.263 -6.966 2.070 553 HA GLU 76 HA GLU 76 64.085 -6.432 4.631 554 1HB GLU 76 1HB GLU 76 65.994 -4.885 2.849 555 2HB GLU 76 2HB GLU 76 65.685 -4.489 4.539 556 1HG GLU 76 1HG GLU 76 66.521 -6.642 5.265 557 2HG GLU 76 2HG GLU 76 66.663 -7.198 3.597 558 H PHE 77 H PHE 77 63.670 -4.944 1.443 559 HA PHE 77 HA PHE 77 62.241 -2.601 2.320 560 1HB PHE 77 1HB PHE 77 63.300 -2.825 0.125 561 2HB PHE 77 2HB PHE 77 62.247 -4.184 -0.272 562 HD1 PHE 77 HD1 PHE 77 61.002 -1.316 1.660 563 HD2 PHE 77 HD2 PHE 77 61.313 -3.064 -2.253 564 HE1 PHE 77 HE1 PHE 77 59.281 0.258 0.820 565 HE2 PHE 77 HE2 PHE 77 59.592 -1.488 -3.092 566 HZ PHE 77 HZ PHE 77 58.576 0.173 -1.555 567 H LEU 78 H LEU 78 61.172 -5.837 1.260 568 HA LEU 78 HA LEU 78 58.385 -5.445 1.199 569 1HB LEU 78 1HB LEU 78 60.319 -7.641 1.566 570 2HB LEU 78 2HB LEU 78 58.718 -7.975 2.226 571 HG LEU 78 HG LEU 78 58.990 -6.801 -0.528 572 1HD1 LEU 78 1HD1 LEU 78 60.140 -9.261 0.234 573 2HD1 LEU 78 2HD1 LEU 78 58.622 -9.672 -0.564 574 3HD1 LEU 78 3HD1 LEU 78 59.827 -8.699 -1.408 575 1HD2 LEU 78 1HD2 LEU 78 56.898 -7.844 1.192 576 2HD2 LEU 78 2HD2 LEU 78 56.747 -6.978 -0.338 577 3HD2 LEU 78 3HD2 LEU 78 56.948 -8.730 -0.333 578 H VAL 79 H VAL 79 60.538 -5.497 3.939 579 HA VAL 79 HA VAL 79 58.389 -5.998 5.896 580 HB VAL 79 HB VAL 79 61.291 -5.164 6.218 581 1HG1 VAL 79 1HG1 VAL 79 59.710 -4.870 8.189 582 2HG1 VAL 79 2HG1 VAL 79 59.484 -6.618 8.165 583 3HG1 VAL 79 3HG1 VAL 79 61.081 -5.940 8.480 584 1HG2 VAL 79 1HG2 VAL 79 59.978 -7.730 5.550 585 2HG2 VAL 79 2HG2 VAL 79 61.644 -7.216 5.282 586 3HG2 VAL 79 3HG2 VAL 79 61.151 -7.820 6.865 587 H MET 80 H MET 80 60.394 -3.266 4.786 588 HA MET 80 HA MET 80 59.506 -1.338 6.699 589 1HB MET 80 1HB MET 80 61.422 -1.362 4.923 590 2HB MET 80 2HB MET 80 60.195 -0.713 3.834 591 1HG MET 80 1HG MET 80 60.175 0.645 6.413 592 2HG MET 80 2HG MET 80 61.748 0.762 5.624 593 1HE MET 80 1HE MET 80 61.509 0.421 3.078 594 2HE MET 80 2HE MET 80 60.361 1.252 2.031 595 3HE MET 80 3HE MET 80 61.742 2.129 2.683 596 H MET 81 H MET 81 57.868 -2.778 4.015 597 HA MET 81 HA MET 81 55.949 -0.539 3.721 598 1HB MET 81 1HB MET 81 56.535 -3.167 2.379 599 2HB MET 81 2HB MET 81 54.991 -2.366 2.087 600 1HG MET 81 1HG MET 81 57.205 -0.486 1.924 601 2HG MET 81 2HG MET 81 57.411 -1.821 0.791 602 1HE MET 81 1HE MET 81 56.941 1.240 0.881 603 2HE MET 81 2HE MET 81 55.832 1.720 -0.401 604 3HE MET 81 3HE MET 81 55.272 1.641 1.275 605 H VAL 82 H VAL 82 56.318 -3.224 5.748 606 HA VAL 82 HA VAL 82 53.399 -3.728 6.012 607 HB VAL 82 HB VAL 82 55.749 -4.968 7.471 608 1HG1 VAL 82 1HG1 VAL 82 52.909 -5.870 6.909 609 2HG1 VAL 82 2HG1 VAL 82 54.149 -6.892 7.634 610 3HG1 VAL 82 3HG1 VAL 82 53.591 -5.451 8.482 611 1HG2 VAL 82 1HG2 VAL 82 55.009 -5.123 4.678 612 2HG2 VAL 82 2HG2 VAL 82 56.366 -5.888 5.506 613 3HG2 VAL 82 3HG2 VAL 82 54.800 -6.696 5.447 614 H ARG 83 H ARG 83 56.176 -2.675 8.004 615 HA ARG 83 HA ARG 83 54.854 -2.259 10.458 616 1HB ARG 83 1HB ARG 83 57.137 -0.871 9.040 617 2HB ARG 83 2HB ARG 83 56.691 -0.478 10.701 618 1HG ARG 83 1HG ARG 83 56.896 -2.956 11.224 619 2HG ARG 83 2HG ARG 83 57.619 -3.151 9.627 620 1HD ARG 83 1HD ARG 83 59.520 -2.827 10.968 621 2HD ARG 83 2HD ARG 83 59.184 -1.167 10.440 622 HE ARG 83 HE ARG 83 57.774 -2.003 12.883 623 1HH1 ARG 83 1HH1 ARG 83 60.646 -0.669 11.519 624 2HH1 ARG 83 2HH1 ARG 83 60.980 0.344 12.882 625 1HH2 ARG 83 1HH2 ARG 83 58.139 -0.605 14.626 626 2HH2 ARG 83 2HH2 ARG 83 59.564 0.379 14.641 627 H CYS 84 H CYS 84 54.992 -0.167 7.587 628 HA CYS 84 HA CYS 84 53.749 2.136 8.801 629 1HB CYS 84 1HB CYS 84 53.599 2.887 6.500 630 2HB CYS 84 2HB CYS 84 55.114 2.002 6.677 631 HG CYS 84 HG CYS 84 53.169 1.282 4.652 632 H MET 85 H MET 85 52.498 -0.759 7.190 633 HA MET 85 HA MET 85 49.765 0.178 6.965 634 1HB MET 85 1HB MET 85 51.226 -2.455 6.810 635 2HB MET 85 2HB MET 85 49.466 -2.399 6.704 636 1HG MET 85 1HG MET 85 50.156 -0.401 4.973 637 2HG MET 85 2HG MET 85 51.498 -1.524 4.747 638 1HE MET 85 1HE MET 85 50.754 -3.893 5.490 639 2HE MET 85 2HE MET 85 49.205 -4.646 5.122 640 3HE MET 85 3HE MET 85 50.481 -4.635 3.907 641 H LYS 86 H LYS 86 51.558 -1.721 9.384 642 HA LYS 86 HA LYS 86 49.225 -2.351 10.997 643 1HB LYS 86 1HB LYS 86 52.173 -2.637 11.063 644 2HB LYS 86 2HB LYS 86 51.393 -2.581 12.644 645 1HG LYS 86 1HG LYS 86 49.806 -4.255 10.972 646 2HG LYS 86 2HG LYS 86 51.485 -4.763 10.787 647 1HD LYS 86 1HD LYS 86 51.741 -5.093 13.147 648 2HD LYS 86 2HD LYS 86 50.207 -4.293 13.489 649 1HE LYS 86 1HE LYS 86 50.055 -6.807 13.600 650 2HE LYS 86 2HE LYS 86 48.976 -6.106 12.378 651 1HZ LYS 86 1HZ LYS 86 51.665 -6.588 11.449 652 2HZ LYS 86 2HZ LYS 86 50.827 -8.003 11.869 653 3HZ LYS 86 3HZ LYS 86 50.184 -6.945 10.705 654 H ASP 87 H ASP 87 48.240 -1.038 12.494 655 HA ASP 87 HA ASP 87 47.790 0.922 13.743 656 1HB ASP 87 1HB ASP 87 50.718 0.327 14.247 657 2HB ASP 87 2HB ASP 87 49.800 1.504 15.187 658 H ASP 88 H ASP 88 48.968 3.242 14.225 659 HA ASP 88 HA ASP 88 49.656 5.297 13.286 660 1HB ASP 88 1HB ASP 88 51.406 3.279 12.455 661 2HB ASP 88 2HB ASP 88 50.996 4.133 10.968 662 H SER 89 H SER 89 49.569 6.491 11.022 663 HA SER 89 HA SER 89 47.793 5.399 8.996 664 1HB SER 89 1HB SER 89 46.208 7.511 9.918 665 2HB SER 89 2HB SER 89 45.874 5.795 10.134 666 HG SER 89 HG SER 89 45.971 7.088 12.102 667 1H ARG 1 1H ARG 1 57.125 12.094 5.899 668 2H ARG 1 2H ARG 1 56.407 12.064 7.438 669 3H ARG 1 3H ARG 1 58.084 12.293 7.284 670 HA ARG 1 HA ARG 1 58.512 10.101 7.021 671 1HB ARG 1 1HB ARG 1 57.079 8.899 8.512 672 2HB ARG 1 2HB ARG 1 56.995 10.579 9.040 673 1HG ARG 1 1HG ARG 1 54.959 10.750 7.430 674 2HG ARG 1 2HG ARG 1 54.953 8.987 7.499 675 1HD ARG 1 1HD ARG 1 53.522 9.537 9.281 676 2HD ARG 1 2HD ARG 1 55.082 9.400 10.116 677 HE ARG 1 HE ARG 1 54.549 12.065 9.020 678 1HH1 ARG 1 1HH1 ARG 1 56.070 10.988 11.562 679 2HH1 ARG 1 2HH1 ARG 1 55.128 11.755 12.797 680 1HH2 ARG 1 1HH2 ARG 1 52.530 12.599 10.659 681 2HH2 ARG 1 2HH2 ARG 1 53.123 12.668 12.285 682 H ILE 2 H ILE 2 57.331 7.846 6.394 683 HA ILE 2 HA ILE 2 55.783 8.321 3.867 684 HB ILE 2 HB ILE 2 58.237 7.776 3.596 685 1HG1 ILE 2 1HG1 ILE 2 56.739 5.404 2.569 686 2HG1 ILE 2 2HG1 ILE 2 56.161 6.999 2.088 687 1HG2 ILE 2 1HG2 ILE 2 57.511 5.768 5.522 688 2HG2 ILE 2 2HG2 ILE 2 58.098 4.976 4.059 689 3HG2 ILE 2 3HG2 ILE 2 59.111 6.155 4.890 690 1HD1 ILE 2 1HD1 ILE 2 59.058 6.829 1.902 691 2HD1 ILE 2 2HD1 ILE 2 58.278 5.583 0.927 692 3HD1 ILE 2 3HD1 ILE 2 57.886 7.283 0.666 693 H SER 3 H SER 3 54.615 6.250 3.184 694 HA SER 3 HA SER 3 54.088 4.255 5.275 695 1HB SER 3 1HB SER 3 51.587 5.568 4.520 696 2HB SER 3 2HB SER 3 52.201 5.182 6.124 697 HG SER 3 HG SER 3 51.960 7.509 5.397 698 H ALA 4 H ALA 4 51.731 3.201 4.369 699 HA ALA 4 HA ALA 4 52.498 2.031 1.805 700 1HB ALA 4 1HB ALA 4 50.630 1.602 4.014 701 2HB ALA 4 2HB ALA 4 49.895 1.262 2.448 702 3HB ALA 4 3HB ALA 4 51.367 0.420 2.932 703 H ASP 5 H ASP 5 49.638 3.903 2.908 704 HA ASP 5 HA ASP 5 48.563 4.261 0.254 705 1HB ASP 5 1HB ASP 5 47.941 4.846 2.989 706 2HB ASP 5 2HB ASP 5 47.749 6.330 2.055 707 H ALA 6 H ALA 6 50.731 6.186 2.300 708 HA ALA 6 HA ALA 6 50.718 8.609 0.805 709 1HB ALA 6 1HB ALA 6 51.766 7.857 3.101 710 2HB ALA 6 2HB ALA 6 53.182 7.489 2.116 711 3HB ALA 6 3HB ALA 6 52.549 9.133 2.169 712 H MET 7 H MET 7 52.385 5.544 0.252 713 HA MET 7 HA MET 7 54.109 6.659 -1.858 714 1HB MET 7 1HB MET 7 53.746 4.173 -0.325 715 2HB MET 7 2HB MET 7 54.194 3.901 -2.010 716 1HG MET 7 1HG MET 7 55.814 6.033 -1.133 717 2HG MET 7 2HG MET 7 55.839 4.846 0.172 718 1HE MET 7 1HE MET 7 56.261 5.669 -3.446 719 2HE MET 7 2HE MET 7 57.099 4.312 -4.197 720 3HE MET 7 3HE MET 7 55.383 4.179 -3.785 721 H MET 8 H MET 8 51.283 4.468 -1.677 722 HA MET 8 HA MET 8 51.071 4.013 -4.510 723 1HB MET 8 1HB MET 8 48.982 3.972 -2.304 724 2HB MET 8 2HB MET 8 48.833 3.179 -3.873 725 1HG MET 8 1HG MET 8 50.843 2.552 -1.695 726 2HG MET 8 2HG MET 8 49.545 1.510 -2.280 727 1HE MET 8 1HE MET 8 52.814 2.688 -2.265 728 2HE MET 8 2HE MET 8 53.726 1.916 -3.568 729 3HE MET 8 3HE MET 8 52.905 3.448 -3.852 730 H GLN 9 H GLN 9 49.694 6.466 -2.342 731 HA GLN 9 HA GLN 9 47.951 7.645 -4.341 732 1HB GLN 9 1HB GLN 9 47.775 7.710 -1.804 733 2HB GLN 9 2HB GLN 9 49.099 8.876 -1.821 734 1HG GLN 9 1HG GLN 9 47.291 9.813 -3.751 735 2HG GLN 9 2HG GLN 9 46.286 9.298 -2.396 736 1HE2 GLN 9 2HE2 GLN 9 49.601 10.704 -2.377 737 2HE2 GLN 9 1HE2 GLN 9 49.194 12.031 -1.401 738 H ALA 10 H ALA 10 51.142 8.548 -2.992 739 HA ALA 10 HA ALA 10 51.408 10.798 -4.871 740 1HB ALA 10 1HB ALA 10 52.231 10.495 -2.402 741 2HB ALA 10 2HB ALA 10 53.580 9.634 -3.140 742 3HB ALA 10 3HB ALA 10 53.281 11.321 -3.550 743 H LEU 11 H LEU 11 52.719 7.520 -4.485 744 HA LEU 11 HA LEU 11 54.028 7.823 -7.170 745 1HB LEU 11 1HB LEU 11 55.042 7.151 -4.566 746 2HB LEU 11 2HB LEU 11 55.243 5.772 -5.630 747 HG LEU 11 HG LEU 11 55.941 8.406 -6.793 748 1HD1 LEU 11 1HD1 LEU 11 57.058 7.472 -4.273 749 2HD1 LEU 11 2HD1 LEU 11 58.296 7.571 -5.524 750 3HD1 LEU 11 3HD1 LEU 11 57.338 8.995 -5.118 751 1HD2 LEU 11 1HD2 LEU 11 56.156 6.113 -7.888 752 2HD2 LEU 11 2HD2 LEU 11 57.622 7.095 -7.899 753 3HD2 LEU 11 3HD2 LEU 11 57.450 5.779 -6.736 754 H LEU 12 H LEU 12 54.389 5.561 -8.179 755 HA LEU 12 HA LEU 12 53.244 3.753 -9.214 756 1HB LEU 12 1HB LEU 12 53.018 3.236 -6.231 757 2HB LEU 12 2HB LEU 12 52.757 2.009 -7.468 758 HG LEU 12 HG LEU 12 54.994 1.642 -6.956 759 1HD1 LEU 12 1HD1 LEU 12 54.589 2.464 -9.416 760 2HD1 LEU 12 2HD1 LEU 12 55.522 3.870 -8.902 761 3HD1 LEU 12 3HD1 LEU 12 56.242 2.262 -8.831 762 1HD2 LEU 12 1HD2 LEU 12 54.847 3.957 -5.580 763 2HD2 LEU 12 2HD2 LEU 12 56.376 3.143 -5.911 764 3HD2 LEU 12 3HD2 LEU 12 55.857 4.488 -6.925 765 H GLY 13 H GLY 13 51.530 6.022 -9.023 766 1HA GLY 13 1HA GLY 13 48.944 4.720 -9.177 767 2HA GLY 13 2HA GLY 13 49.073 5.737 -7.740 768 H ALA 14 H ALA 14 47.940 7.569 -8.206 769 HA ALA 14 HA ALA 14 47.351 8.710 -10.683 770 1HB ALA 14 1HB ALA 14 46.783 9.274 -8.143 771 2HB ALA 14 2HB ALA 14 48.058 10.473 -8.365 772 3HB ALA 14 3HB ALA 14 46.626 10.506 -9.395 773 H ARG 15 H ARG 15 48.661 9.526 -12.269 774 HA ARG 15 HA ARG 15 51.313 10.676 -11.457 775 1HB ARG 15 1HB ARG 15 50.474 8.884 -13.745 776 2HB ARG 15 2HB ARG 15 51.993 9.780 -13.774 777 1HG ARG 15 1HG ARG 15 52.047 8.658 -11.265 778 2HG ARG 15 2HG ARG 15 51.253 7.398 -12.211 779 1HD ARG 15 1HD ARG 15 53.134 6.980 -13.476 780 2HD ARG 15 2HD ARG 15 53.666 8.673 -13.429 781 HE ARG 15 HE ARG 15 53.792 6.959 -10.978 782 1HH1 ARG 15 1HH1 ARG 15 55.652 8.045 -13.557 783 2HH1 ARG 15 2HH1 ARG 15 56.917 8.722 -12.586 784 1HH2 ARG 15 1HH2 ARG 15 55.219 8.293 -9.595 785 2HH2 ARG 15 2HH2 ARG 15 56.672 8.862 -10.346 786 H ALA 16 H ALA 16 48.495 10.881 -13.573 787 HA ALA 16 HA ALA 16 49.458 13.105 -15.171 788 1HB ALA 16 1HB ALA 16 47.529 11.307 -15.465 789 2HB ALA 16 2HB ALA 16 46.559 12.531 -14.644 790 3HB ALA 16 3HB ALA 16 47.357 12.915 -16.169 791 H LYS 17 H LYS 17 48.706 15.333 -14.994 792 HA LYS 17 HA LYS 17 48.427 16.240 -12.206 793 1HB LYS 17 1HB LYS 17 49.912 17.289 -13.932 794 2HB LYS 17 2HB LYS 17 48.471 17.762 -14.832 795 1HG LYS 17 1HG LYS 17 48.113 19.531 -13.482 796 2HG LYS 17 2HG LYS 17 48.263 18.531 -12.035 797 1HD LYS 17 1HD LYS 17 50.843 18.600 -12.678 798 2HD LYS 17 2HD LYS 17 50.362 20.093 -13.485 799 1HE LYS 17 1HE LYS 17 49.085 20.303 -11.034 800 2HE LYS 17 2HE LYS 17 50.636 19.548 -10.614 801 1HZ LYS 17 1HZ LYS 17 51.754 21.217 -11.990 802 2HZ LYS 17 2HZ LYS 17 50.265 21.970 -12.299 803 3HZ LYS 17 3HZ LYS 17 50.889 21.940 -10.719 Start of MODEL 24 1 1H MET 1 1H MET 1 64.256 -10.646 18.051 2 2H MET 1 2H MET 1 64.529 -11.514 19.487 3 3H MET 1 3H MET 1 65.340 -11.952 18.058 4 HA MET 1 HA MET 1 63.604 -13.130 17.259 5 1HB MET 1 1HB MET 1 63.959 -13.223 20.029 6 2HB MET 1 2HB MET 1 62.209 -13.122 19.827 7 1HG MET 1 1HG MET 1 62.420 -14.985 18.106 8 2HG MET 1 2HG MET 1 64.088 -15.178 18.643 9 1HE MET 1 1HE MET 1 64.687 -16.698 19.703 10 2HE MET 1 2HE MET 1 64.592 -16.405 21.437 11 3HE MET 1 3HE MET 1 63.825 -17.836 20.735 12 H ASP 2 H ASP 2 62.233 -12.038 15.847 13 HA ASP 2 HA ASP 2 60.062 -10.361 17.062 14 1HB ASP 2 1HB ASP 2 61.558 -10.286 14.433 15 2HB ASP 2 2HB ASP 2 60.071 -9.374 14.687 16 H ASP 3 H ASP 3 57.927 -10.816 16.441 17 HA ASP 3 HA ASP 3 57.482 -12.960 14.412 18 1HB ASP 3 1HB ASP 3 57.533 -13.393 17.152 19 2HB ASP 3 2HB ASP 3 55.814 -13.175 16.821 20 H ILE 4 H ILE 4 56.564 -11.272 13.076 21 HA ILE 4 HA ILE 4 53.746 -10.839 13.398 22 HB ILE 4 HB ILE 4 54.389 -9.396 15.218 23 1HG1 ILE 4 1HG1 ILE 4 54.144 -7.358 13.045 24 2HG1 ILE 4 2HG1 ILE 4 52.848 -8.542 13.208 25 1HG2 ILE 4 1HG2 ILE 4 56.803 -9.229 14.299 26 2HG2 ILE 4 2HG2 ILE 4 56.209 -7.857 13.364 27 3HG2 ILE 4 3HG2 ILE 4 56.150 -7.817 15.127 28 1HD1 ILE 4 1HD1 ILE 4 52.911 -7.940 15.734 29 2HD1 ILE 4 2HD1 ILE 4 53.793 -6.504 15.215 30 3HD1 ILE 4 3HD1 ILE 4 52.157 -6.794 14.625 31 H TYR 5 H TYR 5 56.808 -9.717 12.026 32 HA TYR 5 HA TYR 5 55.392 -8.736 9.589 33 1HB TYR 5 1HB TYR 5 58.268 -8.521 10.541 34 2HB TYR 5 2HB TYR 5 57.598 -7.706 9.128 35 HD1 TYR 5 HD1 TYR 5 54.880 -7.013 10.218 36 HD2 TYR 5 HD2 TYR 5 58.796 -6.674 11.949 37 HE1 TYR 5 HE1 TYR 5 54.079 -5.163 11.664 38 HE2 TYR 5 HE2 TYR 5 57.996 -4.823 13.396 39 HH TYR 5 HH TYR 5 56.132 -3.097 13.309 40 H LYS 6 H LYS 6 58.242 -10.746 10.442 41 HA LYS 6 HA LYS 6 58.802 -11.822 7.914 42 1HB LYS 6 1HB LYS 6 59.207 -12.494 10.752 43 2HB LYS 6 2HB LYS 6 59.270 -13.892 9.677 44 1HG LYS 6 1HG LYS 6 61.397 -13.287 9.224 45 2HG LYS 6 2HG LYS 6 60.711 -11.945 8.310 46 1HD LYS 6 1HD LYS 6 61.306 -10.420 9.877 47 2HD LYS 6 2HD LYS 6 60.802 -11.464 11.207 48 1HE LYS 6 1HE LYS 6 63.175 -12.495 9.826 49 2HE LYS 6 2HE LYS 6 63.438 -10.896 10.550 50 1HZ LYS 6 1HZ LYS 6 62.049 -13.085 11.985 51 2HZ LYS 6 2HZ LYS 6 63.730 -12.860 12.090 52 3HZ LYS 6 3HZ LYS 6 62.677 -11.645 12.631 53 H ALA 7 H ALA 7 56.186 -12.619 10.133 54 HA ALA 7 HA ALA 7 55.424 -15.091 8.776 55 1HB ALA 7 1HB ALA 7 54.586 -13.398 11.041 56 2HB ALA 7 2HB ALA 7 53.254 -14.227 10.236 57 3HB ALA 7 3HB ALA 7 54.598 -15.156 10.901 58 H ALA 8 H ALA 8 54.150 -11.749 8.858 59 HA ALA 8 HA ALA 8 51.972 -12.166 7.048 60 1HB ALA 8 1HB ALA 8 53.640 -9.847 7.996 61 2HB ALA 8 2HB ALA 8 52.429 -9.595 6.739 62 3HB ALA 8 3HB ALA 8 51.943 -10.196 8.324 63 H VAL 9 H VAL 9 55.368 -11.235 6.513 64 HA VAL 9 HA VAL 9 55.234 -10.633 3.740 65 HB VAL 9 HB VAL 9 57.483 -12.033 5.212 66 1HG1 VAL 9 1HG1 VAL 9 57.310 -10.134 2.865 67 2HG1 VAL 9 2HG1 VAL 9 58.818 -10.430 3.730 68 3HG1 VAL 9 3HG1 VAL 9 58.002 -11.756 2.900 69 1HG2 VAL 9 1HG2 VAL 9 56.155 -9.613 5.916 70 2HG2 VAL 9 2HG2 VAL 9 57.635 -10.274 6.608 71 3HG2 VAL 9 3HG2 VAL 9 57.721 -9.173 5.233 72 H GLU 10 H GLU 10 55.838 -13.749 5.386 73 HA GLU 10 HA GLU 10 56.170 -15.307 2.993 74 1HB GLU 10 1HB GLU 10 55.415 -15.864 5.866 75 2HB GLU 10 2HB GLU 10 55.558 -17.165 4.684 76 1HG GLU 10 1HG GLU 10 57.850 -16.859 4.418 77 2HG GLU 10 2HG GLU 10 57.785 -15.172 4.932 78 H GLN 11 H GLN 11 53.416 -13.793 4.288 79 HA GLN 11 HA GLN 11 51.561 -15.755 2.995 80 1HB GLN 11 1HB GLN 11 51.308 -13.635 5.134 81 2HB GLN 11 2HB GLN 11 49.885 -14.353 4.377 82 1HG GLN 11 1HG GLN 11 50.351 -16.489 5.227 83 2HG GLN 11 2HG GLN 11 52.053 -16.112 5.502 84 1HE2 GLN 11 2HE2 GLN 11 50.359 -17.173 7.585 85 2HE2 GLN 11 1HE2 GLN 11 50.192 -15.979 8.780 86 H LEU 12 H LEU 12 53.244 -13.213 1.998 87 HA LEU 12 HA LEU 12 51.334 -11.297 1.045 88 1HB LEU 12 1HB LEU 12 54.087 -12.176 0.126 89 2HB LEU 12 2HB LEU 12 53.256 -10.761 -0.522 90 HG LEU 12 HG LEU 12 53.704 -11.140 2.443 91 1HD1 LEU 12 1HD1 LEU 12 55.575 -10.251 0.310 92 2HD1 LEU 12 2HD1 LEU 12 55.514 -9.249 1.760 93 3HD1 LEU 12 3HD1 LEU 12 55.920 -10.960 1.888 94 1HD2 LEU 12 1HD2 LEU 12 52.097 -9.407 1.072 95 2HD2 LEU 12 2HD2 LEU 12 52.816 -9.045 2.641 96 3HD2 LEU 12 3HD2 LEU 12 53.590 -8.472 1.163 97 H THR 13 H THR 13 50.048 -11.321 -0.791 98 HA THR 13 HA THR 13 50.103 -13.803 -2.457 99 HB THR 13 HB THR 13 47.792 -13.283 -2.885 100 HG1 THR 13 HG1 THR 13 47.720 -10.942 -1.457 101 1HG2 THR 13 1HG2 THR 13 48.537 -14.013 -0.508 102 2HG2 THR 13 2HG2 THR 13 48.148 -12.357 -0.042 103 3HG2 THR 13 3HG2 THR 13 46.896 -13.401 -0.713 104 H GLU 14 H GLU 14 50.202 -13.612 -4.754 105 HA GLU 14 HA GLU 14 51.849 -11.740 -5.958 106 1HB GLU 14 1HB GLU 14 50.596 -12.382 -8.062 107 2HB GLU 14 2HB GLU 14 51.086 -13.754 -7.066 108 1HG GLU 14 1HG GLU 14 48.771 -13.583 -5.972 109 2HG GLU 14 2HG GLU 14 48.341 -12.516 -7.309 110 H GLU 15 H GLU 15 48.402 -11.396 -5.243 111 HA GLU 15 HA GLU 15 47.754 -9.130 -6.796 112 1HB GLU 15 1HB GLU 15 46.094 -10.355 -5.560 113 2HB GLU 15 2HB GLU 15 46.929 -10.065 -4.034 114 1HG GLU 15 1HG GLU 15 45.139 -8.502 -4.050 115 2HG GLU 15 2HG GLU 15 46.560 -7.561 -4.500 116 H GLN 16 H GLN 16 49.300 -9.303 -3.585 117 HA GLN 16 HA GLN 16 49.570 -6.375 -3.418 118 1HB GLN 16 1HB GLN 16 51.000 -8.332 -1.644 119 2HB GLN 16 2HB GLN 16 50.208 -6.817 -1.215 120 1HG GLN 16 1HG GLN 16 48.028 -8.095 -1.992 121 2HG GLN 16 2HG GLN 16 49.005 -9.527 -1.656 122 1HE2 GLN 16 2HE2 GLN 16 50.254 -9.274 0.610 123 2HE2 GLN 16 1HE2 GLN 16 49.295 -8.701 1.887 124 H LYS 17 H LYS 17 51.768 -9.181 -3.684 125 HA LYS 17 HA LYS 17 54.259 -7.963 -3.772 126 1HB LYS 17 1HB LYS 17 53.074 -10.414 -4.467 127 2HB LYS 17 2HB LYS 17 53.953 -9.909 -5.911 128 1HG LYS 17 1HG LYS 17 55.825 -10.676 -4.914 129 2HG LYS 17 2HG LYS 17 55.688 -9.317 -3.797 130 1HD LYS 17 1HD LYS 17 54.843 -10.612 -2.106 131 2HD LYS 17 2HD LYS 17 53.981 -11.680 -3.215 132 1HE LYS 17 1HE LYS 17 56.982 -11.738 -3.245 133 2HE LYS 17 2HE LYS 17 56.127 -12.566 -1.929 134 1HZ LYS 17 1HZ LYS 17 54.642 -13.235 -4.061 135 2HZ LYS 17 2HZ LYS 17 56.192 -13.186 -4.757 136 3HZ LYS 17 3HZ LYS 17 55.890 -14.203 -3.433 137 H ASN 18 H ASN 18 51.702 -7.698 -6.149 138 HA ASN 18 HA ASN 18 53.329 -6.812 -8.371 139 1HB ASN 18 1HB ASN 18 50.433 -6.783 -7.571 140 2HB ASN 18 2HB ASN 18 50.944 -5.879 -8.998 141 1HD2 ASN 18 2HD2 ASN 18 49.241 -8.109 -9.331 142 2HD2 ASN 18 1HD2 ASN 18 50.105 -9.366 -10.075 143 H GLU 19 H GLU 19 51.533 -5.095 -5.805 144 HA GLU 19 HA GLU 19 52.079 -2.447 -6.844 145 1HB GLU 19 1HB GLU 19 50.551 -3.699 -4.830 146 2HB GLU 19 2HB GLU 19 51.622 -2.579 -3.987 147 1HG GLU 19 1HG GLU 19 50.684 -0.724 -4.966 148 2HG GLU 19 2HG GLU 19 50.304 -1.577 -6.463 149 H PHE 20 H PHE 20 53.726 -4.602 -4.573 150 HA PHE 20 HA PHE 20 55.591 -2.590 -3.598 151 1HB PHE 20 1HB PHE 20 55.686 -5.624 -3.596 152 2HB PHE 20 2HB PHE 20 56.637 -4.560 -2.558 153 HD1 PHE 20 HD1 PHE 20 54.348 -2.479 -2.209 154 HD2 PHE 20 HD2 PHE 20 54.533 -6.748 -1.765 155 HE1 PHE 20 HE1 PHE 20 52.476 -2.390 -0.584 156 HE2 PHE 20 HE2 PHE 20 52.661 -6.659 -0.141 157 HZ PHE 20 HZ PHE 20 51.633 -4.482 0.450 158 H LYS 21 H LYS 21 55.847 -5.302 -5.926 159 HA LYS 21 HA LYS 21 58.524 -5.147 -6.657 160 1HB LYS 21 1HB LYS 21 57.829 -6.274 -8.611 161 2HB LYS 21 2HB LYS 21 56.532 -6.614 -7.466 162 1HG LYS 21 1HG LYS 21 55.292 -5.923 -9.302 163 2HG LYS 21 2HG LYS 21 55.508 -4.382 -8.471 164 1HD LYS 21 1HD LYS 21 56.897 -3.564 -10.074 165 2HD LYS 21 2HD LYS 21 57.713 -5.112 -10.290 166 1HE LYS 21 1HE LYS 21 55.212 -5.677 -11.286 167 2HE LYS 21 2HE LYS 21 55.428 -3.987 -11.778 168 1HZ LYS 21 1HZ LYS 21 57.803 -4.769 -12.362 169 2HZ LYS 21 2HZ LYS 21 57.119 -6.323 -12.389 170 3HZ LYS 21 3HZ LYS 21 56.540 -5.119 -13.439 171 H ALA 22 H ALA 22 55.955 -2.868 -7.443 172 HA ALA 22 HA ALA 22 57.314 -1.448 -9.545 173 1HB ALA 22 1HB ALA 22 54.883 -1.368 -9.038 174 2HB ALA 22 2HB ALA 22 55.240 -0.536 -7.524 175 3HB ALA 22 3HB ALA 22 55.590 0.247 -9.065 176 H ALA 23 H ALA 23 56.766 -0.401 -6.153 177 HA ALA 23 HA ALA 23 58.504 1.794 -6.106 178 1HB ALA 23 1HB ALA 23 57.732 -0.277 -4.038 179 2HB ALA 23 2HB ALA 23 58.664 1.162 -3.623 180 3HB ALA 23 3HB ALA 23 57.034 1.326 -4.277 181 H PHE 24 H PHE 24 59.298 -1.621 -5.380 182 HA PHE 24 HA PHE 24 62.032 -1.294 -4.729 183 1HB PHE 24 1HB PHE 24 60.875 -3.372 -4.379 184 2HB PHE 24 2HB PHE 24 60.452 -3.494 -6.086 185 HD1 PHE 24 HD1 PHE 24 63.397 -3.358 -3.781 186 HD2 PHE 24 HD2 PHE 24 61.859 -4.635 -7.583 187 HE1 PHE 24 HE1 PHE 24 65.506 -4.588 -4.222 188 HE2 PHE 24 HE2 PHE 24 63.967 -5.864 -8.023 189 HZ PHE 24 HZ PHE 24 65.790 -5.842 -6.342 190 H ASP 25 H ASP 25 60.499 -1.795 -7.919 191 HA ASP 25 HA ASP 25 62.879 -1.918 -9.480 192 1HB ASP 25 1HB ASP 25 60.184 -2.123 -9.875 193 2HB ASP 25 2HB ASP 25 60.503 -0.553 -10.612 194 H ILE 26 H ILE 26 60.970 0.844 -8.323 195 HA ILE 26 HA ILE 26 62.655 2.790 -9.757 196 HB ILE 26 HB ILE 26 60.331 2.917 -7.819 197 1HG1 ILE 26 1HG1 ILE 26 59.500 4.121 -10.076 198 2HG1 ILE 26 2HG1 ILE 26 60.722 3.054 -10.769 199 1HG2 ILE 26 1HG2 ILE 26 62.250 4.926 -8.185 200 2HG2 ILE 26 2HG2 ILE 26 60.910 5.391 -9.233 201 3HG2 ILE 26 3HG2 ILE 26 60.632 5.131 -7.511 202 1HD1 ILE 26 1HD1 ILE 26 58.676 2.010 -8.818 203 2HD1 ILE 26 2HD1 ILE 26 58.316 2.126 -10.541 204 3HD1 ILE 26 3HD1 ILE 26 59.645 1.109 -9.983 205 H PHE 27 H PHE 27 62.320 1.456 -6.507 206 HA PHE 27 HA PHE 27 63.953 3.435 -5.163 207 1HB PHE 27 1HB PHE 27 62.847 0.699 -4.624 208 2HB PHE 27 2HB PHE 27 64.067 1.349 -3.529 209 HD1 PHE 27 HD1 PHE 27 61.471 3.241 -5.419 210 HD2 PHE 27 HD2 PHE 27 62.798 1.840 -1.582 211 HE1 PHE 27 HE1 PHE 27 59.739 4.631 -4.313 212 HE2 PHE 27 HE2 PHE 27 61.068 3.229 -0.475 213 HZ PHE 27 HZ PHE 27 59.538 4.625 -1.841 214 H VAL 28 H VAL 28 64.658 0.643 -7.126 215 HA VAL 28 HA VAL 28 67.527 0.739 -6.259 216 HB VAL 28 HB VAL 28 67.605 -1.569 -6.961 217 1HG1 VAL 28 1HG1 VAL 28 66.512 -1.133 -4.779 218 2HG1 VAL 28 2HG1 VAL 28 64.949 -1.050 -5.591 219 3HG1 VAL 28 3HG1 VAL 28 65.848 -2.566 -5.564 220 1HG2 VAL 28 1HG2 VAL 28 65.452 -0.713 -8.672 221 2HG2 VAL 28 2HG2 VAL 28 66.389 -2.204 -8.748 222 3HG2 VAL 28 3HG2 VAL 28 64.937 -2.125 -7.751 223 H LEU 29 H LEU 29 65.448 1.707 -8.734 224 HA LEU 29 HA LEU 29 66.743 1.110 -11.149 225 1HB LEU 29 1HB LEU 29 64.722 2.778 -10.218 226 2HB LEU 29 2HB LEU 29 65.892 3.904 -10.906 227 HG LEU 29 HG LEU 29 64.666 1.509 -12.305 228 1HD1 LEU 29 1HD1 LEU 29 63.553 3.958 -11.939 229 2HD1 LEU 29 2HD1 LEU 29 64.495 4.260 -13.400 230 3HD1 LEU 29 3HD1 LEU 29 63.283 2.978 -13.381 231 1HD2 LEU 29 1HD2 LEU 29 67.011 3.254 -12.905 232 2HD2 LEU 29 2HD2 LEU 29 66.735 1.563 -13.322 233 3HD2 LEU 29 3HD2 LEU 29 65.953 2.840 -14.254 234 H GLY 30 H GLY 30 69.045 1.050 -10.804 235 1HA GLY 30 1HA GLY 30 70.836 2.703 -11.648 236 2HA GLY 30 2HA GLY 30 70.323 3.700 -10.284 237 H ALA 31 H ALA 31 69.869 1.181 -8.666 238 HA ALA 31 HA ALA 31 72.483 1.071 -7.424 239 1HB ALA 31 1HB ALA 31 69.881 0.571 -6.722 240 2HB ALA 31 2HB ALA 31 70.514 -1.067 -6.881 241 3HB ALA 31 3HB ALA 31 71.274 0.068 -5.765 242 H GLU 32 H GLU 32 74.170 -0.061 -8.294 243 HA GLU 32 HA GLU 32 74.044 -1.934 -10.407 244 1HB GLU 32 1HB GLU 32 76.040 -1.677 -8.134 245 2HB GLU 32 2HB GLU 32 76.352 -2.456 -9.686 246 1HG GLU 32 1HG GLU 32 76.940 -0.456 -10.530 247 2HG GLU 32 2HG GLU 32 75.286 0.103 -10.273 248 H ASP 33 H ASP 33 74.331 -2.586 -6.891 249 HA ASP 33 HA ASP 33 74.100 -5.462 -7.210 250 1HB ASP 33 1HB ASP 33 74.642 -3.502 -5.192 251 2HB ASP 33 2HB ASP 33 73.371 -4.569 -4.593 252 H GLY 34 H GLY 34 71.825 -3.013 -7.540 253 1HA GLY 34 1HA GLY 34 69.488 -3.130 -7.794 254 2HA GLY 34 2HA GLY 34 69.613 -4.878 -7.594 255 H CYS 35 H CYS 35 70.512 -2.215 -5.393 256 HA CYS 35 HA CYS 35 68.556 -3.332 -3.413 257 1HB CYS 35 1HB CYS 35 71.359 -2.280 -2.906 258 2HB CYS 35 2HB CYS 35 70.282 -3.000 -1.708 259 HG CYS 35 HG CYS 35 71.634 -5.020 -2.427 260 H ILE 36 H ILE 36 68.967 -1.427 -1.416 261 HA ILE 36 HA ILE 36 68.411 1.188 -2.776 262 HB ILE 36 HB ILE 36 66.926 0.077 -0.383 263 1HG1 ILE 36 1HG1 ILE 36 65.994 0.045 -3.266 264 2HG1 ILE 36 2HG1 ILE 36 66.698 -1.360 -2.467 265 1HG2 ILE 36 1HG2 ILE 36 66.905 2.557 -1.928 266 2HG2 ILE 36 2HG2 ILE 36 65.310 1.808 -1.844 267 3HG2 ILE 36 3HG2 ILE 36 66.176 2.207 -0.361 268 1HD1 ILE 36 1HD1 ILE 36 64.928 -1.011 -0.642 269 2HD1 ILE 36 2HD1 ILE 36 64.139 0.087 -1.774 270 3HD1 ILE 36 3HD1 ILE 36 64.349 -1.614 -2.195 271 H SER 37 H SER 37 70.130 2.425 -2.101 272 HA SER 37 HA SER 37 71.047 2.210 0.741 273 1HB SER 37 1HB SER 37 72.220 3.311 -1.818 274 2HB SER 37 2HB SER 37 72.996 3.512 -0.251 275 HG SER 37 HG SER 37 72.356 1.088 -1.587 276 H THR 38 H THR 38 68.619 3.635 -0.200 277 HA THR 38 HA THR 38 67.493 5.602 0.488 278 HB THR 38 HB THR 38 68.507 6.985 2.054 279 HG1 THR 38 HG1 THR 38 70.747 7.430 2.010 280 1HG2 THR 38 1HG2 THR 38 69.089 4.301 2.276 281 2HG2 THR 38 2HG2 THR 38 70.655 5.071 2.540 282 3HG2 THR 38 3HG2 THR 38 69.277 5.507 3.549 283 H LYS 39 H LYS 39 70.668 6.109 -1.109 284 HA LYS 39 HA LYS 39 70.342 8.569 -2.329 285 1HB LYS 39 1HB LYS 39 71.456 5.918 -3.226 286 2HB LYS 39 2HB LYS 39 71.481 7.291 -4.333 287 1HG LYS 39 1HG LYS 39 73.276 8.135 -3.276 288 2HG LYS 39 2HG LYS 39 72.375 8.183 -1.759 289 1HD LYS 39 1HD LYS 39 72.914 5.760 -1.422 290 2HD LYS 39 2HD LYS 39 73.929 5.827 -2.865 291 1HE LYS 39 1HE LYS 39 74.520 7.999 -0.981 292 2HE LYS 39 2HE LYS 39 74.801 6.386 -0.293 293 1HZ LYS 39 1HZ LYS 39 75.655 7.035 -3.044 294 2HZ LYS 39 2HZ LYS 39 76.650 7.416 -1.720 295 3HZ LYS 39 3HZ LYS 39 76.218 5.803 -2.018 296 H GLU 40 H GLU 40 68.749 5.522 -3.166 297 HA GLU 40 HA GLU 40 67.310 6.753 -5.444 298 1HB GLU 40 1HB GLU 40 67.092 4.001 -4.176 299 2HB GLU 40 2HB GLU 40 66.536 4.466 -5.785 300 1HG GLU 40 1HG GLU 40 69.425 4.831 -5.025 301 2HG GLU 40 2HG GLU 40 68.839 3.250 -5.548 302 H LEU 41 H LEU 41 66.859 5.939 -2.083 303 HA LEU 41 HA LEU 41 63.985 5.881 -1.997 304 1HB LEU 41 1HB LEU 41 65.750 5.094 -0.302 305 2HB LEU 41 2HB LEU 41 65.881 6.786 0.182 306 HG LEU 41 HG LEU 41 63.474 6.841 0.688 307 1HD1 LEU 41 1HD1 LEU 41 63.635 4.142 -0.569 308 2HD1 LEU 41 2HD1 LEU 41 62.507 4.341 0.772 309 3HD1 LEU 41 3HD1 LEU 41 62.353 5.352 -0.666 310 1HD2 LEU 41 1HD2 LEU 41 64.986 4.528 1.943 311 2HD2 LEU 41 2HD2 LEU 41 64.972 6.200 2.502 312 3HD2 LEU 41 3HD2 LEU 41 63.507 5.224 2.605 313 H GLY 42 H GLY 42 66.243 8.466 -0.950 314 1HA GLY 42 1HA GLY 42 64.451 10.497 -0.407 315 2HA GLY 42 2HA GLY 42 66.019 10.807 -1.157 316 H LYS 43 H LYS 43 65.703 9.631 -3.644 317 HA LYS 43 HA LYS 43 64.501 11.560 -5.249 318 1HB LYS 43 1HB LYS 43 65.455 8.821 -5.451 319 2HB LYS 43 2HB LYS 43 64.089 9.088 -6.534 320 1HG LYS 43 1HG LYS 43 65.776 9.845 -7.907 321 2HG LYS 43 2HG LYS 43 65.442 11.345 -7.042 322 1HD LYS 43 1HD LYS 43 67.253 9.779 -5.472 323 2HD LYS 43 2HD LYS 43 67.875 9.871 -7.119 324 1HE LYS 43 1HE LYS 43 67.830 12.284 -7.090 325 2HE LYS 43 2HE LYS 43 66.941 12.300 -5.553 326 1HZ LYS 43 1HZ LYS 43 69.558 10.944 -5.862 327 2HZ LYS 43 2HZ LYS 43 69.436 12.567 -5.385 328 3HZ LYS 43 3HZ LYS 43 68.750 11.347 -4.422 329 H VAL 44 H VAL 44 62.972 8.646 -3.874 330 HA VAL 44 HA VAL 44 60.376 9.155 -5.080 331 HB VAL 44 HB VAL 44 61.452 7.385 -2.871 332 1HG1 VAL 44 1HG1 VAL 44 58.718 8.150 -3.382 333 2HG1 VAL 44 2HG1 VAL 44 58.934 6.439 -3.749 334 3HG1 VAL 44 3HG1 VAL 44 59.346 7.057 -2.150 335 1HG2 VAL 44 1HG2 VAL 44 61.625 7.204 -5.615 336 2HG2 VAL 44 2HG2 VAL 44 61.722 5.833 -4.511 337 3HG2 VAL 44 3HG2 VAL 44 60.187 6.242 -5.275 338 H MET 45 H MET 45 61.995 10.112 -2.117 339 HA MET 45 HA MET 45 59.722 10.806 -0.532 340 1HB MET 45 1HB MET 45 62.536 11.927 -0.714 341 2HB MET 45 2HB MET 45 61.423 12.261 0.613 342 1HG MET 45 1HG MET 45 62.463 9.535 -0.214 343 2HG MET 45 2HG MET 45 62.901 10.422 1.245 344 1HE MET 45 1HE MET 45 59.993 8.983 -0.840 345 2HE MET 45 2HE MET 45 60.896 7.663 -0.105 346 3HE MET 45 3HE MET 45 59.210 7.946 0.347 347 H ARG 46 H ARG 46 61.657 12.763 -2.820 348 HA ARG 46 HA ARG 46 60.188 15.199 -2.485 349 1HB ARG 46 1HB ARG 46 61.286 15.765 -4.636 350 2HB ARG 46 2HB ARG 46 62.415 14.979 -3.532 351 1HG ARG 46 1HG ARG 46 62.653 13.176 -4.883 352 2HG ARG 46 2HG ARG 46 60.921 13.085 -5.207 353 1HD ARG 46 1HD ARG 46 61.486 15.329 -6.598 354 2HD ARG 46 2HD ARG 46 63.052 14.504 -6.731 355 HE ARG 46 HE ARG 46 60.849 12.676 -7.184 356 1HH1 ARG 46 1HH1 ARG 46 63.402 12.564 -8.705 357 2HH1 ARG 46 2HH1 ARG 46 62.930 13.136 -10.271 358 1HH2 ARG 46 1HH2 ARG 46 59.961 14.539 -9.155 359 2HH2 ARG 46 2HH2 ARG 46 60.983 14.257 -10.525 360 H MET 47 H MET 47 59.392 12.228 -4.054 361 HA MET 47 HA MET 47 57.415 13.411 -5.893 362 1HB MET 47 1HB MET 47 58.749 10.855 -5.373 363 2HB MET 47 2HB MET 47 57.035 10.657 -5.741 364 1HG MET 47 1HG MET 47 57.318 11.254 -7.907 365 2HG MET 47 2HG MET 47 58.377 12.600 -7.484 366 1HE MET 47 1HE MET 47 58.258 9.101 -6.505 367 2HE MET 47 2HE MET 47 58.554 8.448 -8.122 368 3HE MET 47 3HE MET 47 59.814 8.372 -6.894 369 H LEU 48 H LEU 48 57.459 11.631 -2.817 370 HA LEU 48 HA LEU 48 54.591 11.314 -2.605 371 1HB LEU 48 1HB LEU 48 56.805 11.367 -0.527 372 2HB LEU 48 2HB LEU 48 55.186 10.717 -0.272 373 HG LEU 48 HG LEU 48 57.312 9.688 -2.162 374 1HD1 LEU 48 1HD1 LEU 48 57.263 9.024 0.305 375 2HD1 LEU 48 2HD1 LEU 48 55.724 8.235 -0.035 376 3HD1 LEU 48 3HD1 LEU 48 57.192 7.693 -0.849 377 1HD2 LEU 48 1HD2 LEU 48 54.339 9.263 -2.101 378 2HD2 LEU 48 2HD2 LEU 48 55.412 9.427 -3.490 379 3HD2 LEU 48 3HD2 LEU 48 55.391 7.926 -2.566 380 H GLY 49 H GLY 49 56.825 13.904 -1.863 381 1HA GLY 49 1HA GLY 49 55.734 16.178 -1.754 382 2HA GLY 49 2HA GLY 49 54.563 15.449 -0.653 383 H GLN 50 H GLN 50 57.864 14.430 -0.402 384 HA GLN 50 HA GLN 50 58.359 16.306 1.868 385 1HB GLN 50 1HB GLN 50 57.914 13.364 1.895 386 2HB GLN 50 2HB GLN 50 59.224 13.961 2.915 387 1HG GLN 50 1HG GLN 50 57.757 14.750 4.427 388 2HG GLN 50 2HG GLN 50 56.912 15.672 3.183 389 1HE2 GLN 50 2HE2 GLN 50 56.819 12.751 5.104 390 2HE2 GLN 50 1HE2 GLN 50 55.351 12.159 4.490 391 H ASN 51 H ASN 51 60.735 15.396 2.770 392 HA ASN 51 HA ASN 51 62.552 14.481 0.698 393 1HB ASN 51 1HB ASN 51 61.898 16.792 -0.053 394 2HB ASN 51 2HB ASN 51 62.600 17.424 1.437 395 1HD2 ASN 51 2HD2 ASN 51 63.569 15.195 -1.241 396 2HD2 ASN 51 1HD2 ASN 51 65.160 15.778 -1.341 397 HA PRO 52 HA PRO 52 64.083 14.270 5.032 398 1HB PRO 52 1HB PRO 52 64.816 11.638 4.916 399 2HB PRO 52 2HB PRO 52 63.173 12.166 5.330 400 1HG PRO 52 1HG PRO 52 64.226 11.088 2.772 401 2HG PRO 52 2HG PRO 52 62.645 10.859 3.531 402 1HD PRO 52 1HD PRO 52 63.131 12.574 1.436 403 2HD PRO 52 2HD PRO 52 61.777 12.734 2.577 404 H THR 53 H THR 53 66.171 14.975 5.317 405 HA THR 53 HA THR 53 68.138 15.110 3.291 406 HB THR 53 HB THR 53 69.518 15.082 5.695 407 HG1 THR 53 HG1 THR 53 68.172 15.527 7.267 408 1HG2 THR 53 1HG2 THR 53 68.820 16.900 3.764 409 2HG2 THR 53 2HG2 THR 53 67.991 17.546 5.180 410 3HG2 THR 53 3HG2 THR 53 69.735 17.291 5.221 411 HA PRO 54 HA PRO 54 70.198 11.235 3.244 412 1HB PRO 54 1HB PRO 54 72.849 11.838 3.591 413 2HB PRO 54 2HB PRO 54 71.961 12.199 2.096 414 1HG PRO 54 1HG PRO 54 72.677 14.004 4.355 415 2HG PRO 54 2HG PRO 54 72.681 14.320 2.613 416 1HD PRO 54 1HD PRO 54 70.703 15.169 4.273 417 2HD PRO 54 2HD PRO 54 70.436 14.787 2.558 418 H GLU 55 H GLU 55 71.032 13.290 5.998 419 HA GLU 55 HA GLU 55 72.197 11.224 7.644 420 1HB GLU 55 1HB GLU 55 70.931 13.931 8.118 421 2HB GLU 55 2HB GLU 55 71.612 12.977 9.437 422 1HG GLU 55 1HG GLU 55 73.605 12.867 7.528 423 2HG GLU 55 2HG GLU 55 72.982 14.506 7.339 424 H GLU 56 H GLU 56 68.897 12.544 7.328 425 HA GLU 56 HA GLU 56 67.847 10.738 9.401 426 1HB GLU 56 1HB GLU 56 67.023 13.041 9.084 427 2HB GLU 56 2HB GLU 56 66.530 12.643 7.437 428 1HG GLU 56 1HG GLU 56 64.526 12.330 8.574 429 2HG GLU 56 2HG GLU 56 65.199 10.701 8.635 430 H LEU 57 H LEU 57 68.275 10.718 5.946 431 HA LEU 57 HA LEU 57 66.205 9.039 5.043 432 1HB LEU 57 1HB LEU 57 68.855 9.910 4.251 433 2HB LEU 57 2HB LEU 57 68.598 8.232 3.779 434 HG LEU 57 HG LEU 57 66.903 10.632 3.051 435 1HD1 LEU 57 1HD1 LEU 57 69.044 9.945 1.772 436 2HD1 LEU 57 2HD1 LEU 57 68.115 8.544 1.241 437 3HD1 LEU 57 3HD1 LEU 57 67.570 10.169 0.829 438 1HD2 LEU 57 1HD2 LEU 57 66.310 7.679 2.959 439 2HD2 LEU 57 2HD2 LEU 57 65.251 9.005 3.440 440 3HD2 LEU 57 3HD2 LEU 57 65.630 8.754 1.735 441 H GLN 58 H GLN 58 69.470 7.952 6.053 442 HA GLN 58 HA GLN 58 69.103 5.195 6.032 443 1HB GLN 58 1HB GLN 58 71.073 6.844 6.722 444 2HB GLN 58 2HB GLN 58 70.496 6.486 8.350 445 1HG GLN 58 1HG GLN 58 70.866 4.179 6.496 446 2HG GLN 58 2HG GLN 58 72.320 4.947 7.135 447 1HE2 GLN 58 2HE2 GLN 58 70.079 2.539 7.820 448 2HE2 GLN 58 1HE2 GLN 58 70.291 2.452 9.501 449 H GLU 59 H GLU 59 68.021 7.498 8.510 450 HA GLU 59 HA GLU 59 67.274 5.726 10.570 451 1HB GLU 59 1HB GLU 59 67.047 8.420 9.940 452 2HB GLU 59 2HB GLU 59 65.366 7.890 10.035 453 1HG GLU 59 1HG GLU 59 66.260 6.668 12.233 454 2HG GLU 59 2HG GLU 59 67.453 7.966 12.171 455 H MET 60 H MET 60 65.730 6.348 7.468 456 HA MET 60 HA MET 60 63.234 4.992 8.186 457 1HB MET 60 1HB MET 60 62.915 6.648 6.593 458 2HB MET 60 2HB MET 60 64.490 6.379 5.848 459 1HG MET 60 1HG MET 60 63.686 4.816 4.418 460 2HG MET 60 2HG MET 60 62.629 4.101 5.633 461 1HE MET 60 1HE MET 60 63.544 6.926 3.633 462 2HE MET 60 2HE MET 60 62.184 7.157 2.538 463 3HE MET 60 3HE MET 60 62.301 8.128 4.003 464 H ILE 61 H ILE 61 66.328 4.158 6.754 465 HA ILE 61 HA ILE 61 65.466 1.660 5.537 466 HB ILE 61 HB ILE 61 68.165 2.742 6.377 467 1HG1 ILE 61 1HG1 ILE 61 66.762 4.064 4.711 468 2HG1 ILE 61 2HG1 ILE 61 68.360 3.568 4.148 469 1HG2 ILE 61 1HG2 ILE 61 67.312 0.256 5.000 470 2HG2 ILE 61 2HG2 ILE 61 68.708 1.096 4.324 471 3HG2 ILE 61 3HG2 ILE 61 68.732 0.554 6.002 472 1HD1 ILE 61 1HD1 ILE 61 66.283 1.561 3.697 473 2HD1 ILE 61 2HD1 ILE 61 65.999 3.067 2.827 474 3HD1 ILE 61 3HD1 ILE 61 67.505 2.180 2.587 475 H ASP 62 H ASP 62 67.314 2.436 8.515 476 HA ASP 62 HA ASP 62 67.619 -0.207 9.487 477 1HB ASP 62 1HB ASP 62 68.542 2.114 10.249 478 2HB ASP 62 2HB ASP 62 67.091 2.180 11.250 479 H GLU 63 H GLU 63 64.827 1.947 9.578 480 HA GLU 63 HA GLU 63 63.271 0.863 11.632 481 1HB GLU 63 1HB GLU 63 62.898 2.778 9.899 482 2HB GLU 63 2HB GLU 63 62.150 1.520 8.912 483 1HG GLU 63 1HG GLU 63 60.312 2.302 10.104 484 2HG GLU 63 2HG GLU 63 60.844 0.968 11.128 485 H VAL 64 H VAL 64 63.873 -0.467 8.394 486 HA VAL 64 HA VAL 64 62.406 -2.945 9.240 487 HB VAL 64 HB VAL 64 61.707 -3.130 6.882 488 1HG1 VAL 64 1HG1 VAL 64 60.406 -1.740 8.569 489 2HG1 VAL 64 2HG1 VAL 64 61.171 -0.317 7.863 490 3HG1 VAL 64 3HG1 VAL 64 60.119 -1.331 6.877 491 1HG2 VAL 64 1HG2 VAL 64 63.761 -1.984 5.977 492 2HG2 VAL 64 2HG2 VAL 64 62.254 -1.397 5.274 493 3HG2 VAL 64 3HG2 VAL 64 63.077 -0.449 6.512 494 H ASP 65 H ASP 65 65.288 -2.354 9.507 495 HA ASP 65 HA ASP 65 66.433 -4.229 7.468 496 1HB ASP 65 1HB ASP 65 67.162 -1.702 8.054 497 2HB ASP 65 2HB ASP 65 68.134 -2.554 9.254 498 H GLU 66 H GLU 66 67.455 -6.101 8.201 499 HA GLU 66 HA GLU 66 67.541 -6.516 11.174 500 1HB GLU 66 1HB GLU 66 66.549 -8.162 8.871 501 2HB GLU 66 2HB GLU 66 67.180 -8.992 10.293 502 1HG GLU 66 1HG GLU 66 65.526 -6.957 11.305 503 2HG GLU 66 2HG GLU 66 64.635 -7.649 9.949 504 H ASP 67 H ASP 67 69.526 -5.949 8.673 505 HA ASP 67 HA ASP 67 71.573 -7.937 9.607 506 1HB ASP 67 1HB ASP 67 72.431 -7.787 7.260 507 2HB ASP 67 2HB ASP 67 70.778 -8.399 7.339 508 H GLY 68 H GLY 68 70.736 -4.634 9.198 509 1HA GLY 68 1HA GLY 68 71.923 -2.683 9.739 510 2HA GLY 68 2HA GLY 68 73.167 -3.719 10.439 511 H SER 69 H SER 69 72.276 -4.334 7.157 512 HA SER 69 HA SER 69 74.962 -3.859 6.200 513 1HB SER 69 1HB SER 69 73.945 -4.463 4.046 514 2HB SER 69 2HB SER 69 73.334 -5.525 5.313 515 HG SER 69 HG SER 69 71.660 -3.657 5.414 516 H GLY 70 H GLY 70 72.120 -1.857 6.495 517 1HA GLY 70 1HA GLY 70 72.277 0.563 6.369 518 2HA GLY 70 2HA GLY 70 73.638 0.386 5.261 519 H THR 71 H THR 71 72.239 -1.689 3.669 520 HA THR 71 HA THR 71 70.468 0.162 2.129 521 HB THR 71 HB THR 71 71.041 -1.309 0.254 522 HG1 THR 71 HG1 THR 71 72.786 -2.936 1.064 523 1HG2 THR 71 1HG2 THR 71 72.735 0.406 1.425 524 2HG2 THR 71 2HG2 THR 71 73.671 -1.074 1.632 525 3HG2 THR 71 3HG2 THR 71 73.197 -0.549 0.016 526 H VAL 72 H VAL 72 68.744 -1.255 0.821 527 HA VAL 72 HA VAL 72 67.466 -3.158 2.762 528 HB VAL 72 HB VAL 72 66.290 -0.989 0.997 529 1HG1 VAL 72 1HG1 VAL 72 64.949 -3.163 2.624 530 2HG1 VAL 72 2HG1 VAL 72 64.109 -1.721 2.054 531 3HG1 VAL 72 3HG1 VAL 72 64.782 -2.867 0.894 532 1HG2 VAL 72 1HG2 VAL 72 67.285 -0.273 3.162 533 2HG2 VAL 72 2HG2 VAL 72 65.534 -0.060 3.141 534 3HG2 VAL 72 3HG2 VAL 72 66.246 -1.425 4.001 535 H ASP 73 H ASP 73 66.160 -4.839 1.756 536 HA ASP 73 HA ASP 73 66.845 -5.335 -1.126 537 1HB ASP 73 1HB ASP 73 67.473 -6.768 1.245 538 2HB ASP 73 2HB ASP 73 66.273 -7.727 0.377 539 H PHE 74 H PHE 74 65.202 -6.686 -2.259 540 HA PHE 74 HA PHE 74 62.572 -5.754 -2.115 541 1HB PHE 74 1HB PHE 74 63.556 -7.060 -3.958 542 2HB PHE 74 2HB PHE 74 63.603 -8.492 -2.929 543 HD1 PHE 74 HD1 PHE 74 61.135 -5.855 -3.967 544 HD2 PHE 74 HD2 PHE 74 61.857 -10.011 -3.156 545 HE1 PHE 74 HE1 PHE 74 58.792 -6.384 -4.588 546 HE2 PHE 74 HE2 PHE 74 59.515 -10.539 -3.777 547 HZ PHE 74 HZ PHE 74 57.982 -8.725 -4.493 548 H ASP 75 H ASP 75 64.140 -8.078 -0.042 549 HA ASP 75 HA ASP 75 61.669 -9.282 0.968 550 1HB ASP 75 1HB ASP 75 63.952 -10.356 0.823 551 2HB ASP 75 2HB ASP 75 64.476 -9.275 2.116 552 H GLU 76 H GLU 76 64.082 -6.961 2.241 553 HA GLU 76 HA GLU 76 62.664 -6.472 4.715 554 1HB GLU 76 1HB GLU 76 64.781 -4.957 3.154 555 2HB GLU 76 2HB GLU 76 64.286 -4.540 4.795 556 1HG GLU 76 1HG GLU 76 65.199 -6.477 5.711 557 2HG GLU 76 2HG GLU 76 65.110 -7.361 4.187 558 H PHE 77 H PHE 77 62.604 -4.987 1.498 559 HA PHE 77 HA PHE 77 61.270 -2.562 2.082 560 1HB PHE 77 1HB PHE 77 62.185 -3.093 -0.101 561 2HB PHE 77 2HB PHE 77 61.099 -4.474 -0.268 562 HD1 PHE 77 HD1 PHE 77 61.043 -0.767 0.287 563 HD2 PHE 77 HD2 PHE 77 59.032 -4.197 -1.337 564 HE1 PHE 77 HE1 PHE 77 59.312 0.713 -0.695 565 HE2 PHE 77 HE2 PHE 77 57.301 -2.717 -2.319 566 HZ PHE 77 HZ PHE 77 57.442 -0.262 -1.998 567 H LEU 78 H LEU 78 59.844 -5.755 1.286 568 HA LEU 78 HA LEU 78 57.122 -5.133 1.383 569 1HB LEU 78 1HB LEU 78 58.694 -7.532 2.367 570 2HB LEU 78 2HB LEU 78 56.937 -7.530 2.227 571 HG LEU 78 HG LEU 78 58.596 -6.677 -0.124 572 1HD1 LEU 78 1HD1 LEU 78 58.490 -9.365 1.081 573 2HD1 LEU 78 2HD1 LEU 78 58.065 -9.325 -0.630 574 3HD1 LEU 78 3HD1 LEU 78 59.626 -8.704 -0.094 575 1HD2 LEU 78 1HD2 LEU 78 55.851 -7.064 0.449 576 2HD2 LEU 78 2HD2 LEU 78 56.572 -6.701 -1.119 577 3HD2 LEU 78 3HD2 LEU 78 56.316 -8.377 -0.634 578 H VAL 79 H VAL 79 59.321 -5.762 4.121 579 HA VAL 79 HA VAL 79 57.471 -5.798 6.247 580 HB VAL 79 HB VAL 79 60.213 -4.497 6.150 581 1HG1 VAL 79 1HG1 VAL 79 58.460 -4.521 8.227 582 2HG1 VAL 79 2HG1 VAL 79 59.286 -6.056 8.494 583 3HG1 VAL 79 3HG1 VAL 79 60.210 -4.555 8.433 584 1HG2 VAL 79 1HG2 VAL 79 59.354 -7.242 5.732 585 2HG2 VAL 79 2HG2 VAL 79 60.968 -6.548 5.584 586 3HG2 VAL 79 3HG2 VAL 79 60.394 -7.116 7.151 587 H MET 80 H MET 80 58.775 -3.062 4.423 588 HA MET 80 HA MET 80 57.846 -0.966 6.159 589 1HB MET 80 1HB MET 80 59.220 -1.327 3.691 590 2HB MET 80 2HB MET 80 57.891 -0.208 3.386 591 1HG MET 80 1HG MET 80 58.679 1.360 4.927 592 2HG MET 80 2HG MET 80 59.603 0.158 5.827 593 1HE MET 80 1HE MET 80 59.054 0.688 2.220 594 2HE MET 80 2HE MET 80 59.621 2.349 2.361 595 3HE MET 80 3HE MET 80 60.591 1.151 1.496 596 H MET 81 H MET 81 56.197 -3.080 3.984 597 HA MET 81 HA MET 81 53.867 -1.241 3.732 598 1HB MET 81 1HB MET 81 54.741 -3.851 2.479 599 2HB MET 81 2HB MET 81 53.118 -3.208 2.232 600 1HG MET 81 1HG MET 81 55.662 -1.664 1.655 601 2HG MET 81 2HG MET 81 54.736 -2.538 0.435 602 1HE MET 81 1HE MET 81 55.555 0.570 1.857 603 2HE MET 81 2HE MET 81 55.341 0.576 0.100 604 3HE MET 81 3HE MET 81 54.384 1.655 1.111 605 H VAL 82 H VAL 82 54.863 -4.296 5.205 606 HA VAL 82 HA VAL 82 52.321 -5.289 6.012 607 HB VAL 82 HB VAL 82 54.989 -5.451 7.452 608 1HG1 VAL 82 1HG1 VAL 82 52.737 -6.360 8.453 609 2HG1 VAL 82 2HG1 VAL 82 52.933 -7.635 7.250 610 3HG1 VAL 82 3HG1 VAL 82 54.172 -7.385 8.481 611 1HG2 VAL 82 1HG2 VAL 82 54.157 -6.372 4.822 612 2HG2 VAL 82 2HG2 VAL 82 55.755 -6.425 5.565 613 3HG2 VAL 82 3HG2 VAL 82 54.603 -7.728 5.858 614 H ARG 83 H ARG 83 54.617 -3.174 7.777 615 HA ARG 83 HA ARG 83 53.210 -2.840 10.182 616 1HB ARG 83 1HB ARG 83 54.927 -1.015 8.489 617 2HB ARG 83 2HB ARG 83 54.340 -0.520 10.077 618 1HG ARG 83 1HG ARG 83 55.524 -2.250 11.181 619 2HG ARG 83 2HG ARG 83 55.791 -3.136 9.680 620 1HD ARG 83 1HD ARG 83 57.732 -2.021 9.333 621 2HD ARG 83 2HD ARG 83 56.889 -0.464 9.451 622 HE ARG 83 HE ARG 83 56.989 -1.019 12.039 623 1HH1 ARG 83 1HH1 ARG 83 59.107 -2.939 10.363 624 2HH1 ARG 83 2HH1 ARG 83 60.548 -2.348 11.119 625 1HH2 ARG 83 1HH2 ARG 83 58.952 0.286 12.712 626 2HH2 ARG 83 2HH2 ARG 83 60.462 -0.524 12.450 627 H CYS 84 H CYS 84 52.353 -1.717 7.003 628 HA CYS 84 HA CYS 84 50.390 0.238 8.096 629 1HB CYS 84 1HB CYS 84 51.881 0.890 6.247 630 2HB CYS 84 2HB CYS 84 51.288 -0.463 5.281 631 HG CYS 84 HG CYS 84 49.241 1.686 6.234 632 H MET 85 H MET 85 50.493 -3.030 7.334 633 HA MET 85 HA MET 85 48.228 -3.639 5.824 634 1HB MET 85 1HB MET 85 49.749 -4.839 8.073 635 2HB MET 85 2HB MET 85 48.145 -5.516 7.796 636 1HG MET 85 1HG MET 85 49.367 -5.178 5.249 637 2HG MET 85 2HG MET 85 50.548 -5.966 6.295 638 1HE MET 85 1HE MET 85 50.586 -7.687 4.722 639 2HE MET 85 2HE MET 85 49.513 -9.090 4.674 640 3HE MET 85 3HE MET 85 49.155 -7.670 3.696 641 H LYS 86 H LYS 86 48.118 -3.632 9.406 642 HA LYS 86 HA LYS 86 45.276 -3.447 9.582 643 1HB LYS 86 1HB LYS 86 47.372 -3.887 11.262 644 2HB LYS 86 2HB LYS 86 46.941 -2.238 11.721 645 1HG LYS 86 1HG LYS 86 44.806 -2.848 12.431 646 2HG LYS 86 2HG LYS 86 44.775 -4.295 11.422 647 1HD LYS 86 1HD LYS 86 46.835 -4.117 13.587 648 2HD LYS 86 2HD LYS 86 45.170 -4.481 14.041 649 1HE LYS 86 1HE LYS 86 45.293 -6.588 13.185 650 2HE LYS 86 2HE LYS 86 46.111 -6.025 11.713 651 1HZ LYS 86 1HZ LYS 86 48.125 -5.678 13.092 652 2HZ LYS 86 2HZ LYS 86 47.331 -6.424 14.393 653 3HZ LYS 86 3HZ LYS 86 47.663 -7.310 12.981 654 H ASP 87 H ASP 87 44.401 -1.733 8.345 655 HA ASP 87 HA ASP 87 44.885 0.994 9.437 656 1HB ASP 87 1HB ASP 87 46.409 0.422 7.458 657 2HB ASP 87 2HB ASP 87 44.948 0.379 6.472 658 H ASP 88 H ASP 88 42.935 2.035 9.646 659 HA ASP 88 HA ASP 88 40.531 0.795 8.406 660 1HB ASP 88 1HB ASP 88 41.239 2.327 10.811 661 2HB ASP 88 2HB ASP 88 39.739 2.873 10.060 662 H SER 89 H SER 89 39.416 1.818 6.772 663 HA SER 89 HA SER 89 40.465 3.862 5.174 664 1HB SER 89 1HB SER 89 38.694 2.777 4.186 665 2HB SER 89 2HB SER 89 37.815 2.624 5.705 666 HG SER 89 HG SER 89 37.188 4.244 3.888 667 1H ARG 1 1H ARG 1 58.276 6.579 6.925 668 2H ARG 1 2H ARG 1 57.827 6.563 8.564 669 3H ARG 1 3H ARG 1 56.999 5.589 7.444 670 HA ARG 1 HA ARG 1 55.640 7.500 7.955 671 1HB ARG 1 1HB ARG 1 57.539 8.842 8.762 672 2HB ARG 1 2HB ARG 1 58.161 8.969 7.116 673 1HG ARG 1 1HG ARG 1 56.610 10.530 6.505 674 2HG ARG 1 2HG ARG 1 55.339 9.800 7.490 675 1HD ARG 1 1HD ARG 1 57.113 10.690 9.412 676 2HD ARG 1 2HD ARG 1 57.210 11.962 8.179 677 HE ARG 1 HE ARG 1 55.041 12.579 8.858 678 1HH1 ARG 1 1HH1 ARG 1 55.698 9.705 10.436 679 2HH1 ARG 1 2HH1 ARG 1 54.055 9.165 10.524 680 1HH2 ARG 1 1HH2 ARG 1 52.841 11.673 8.461 681 2HH2 ARG 1 2HH2 ARG 1 52.437 10.280 9.406 682 H ILE 2 H ILE 2 55.291 5.847 5.956 683 HA ILE 2 HA ILE 2 54.814 7.574 3.609 684 HB ILE 2 HB ILE 2 57.033 6.893 3.107 685 1HG1 ILE 2 1HG1 ILE 2 55.196 4.828 1.847 686 2HG1 ILE 2 2HG1 ILE 2 55.436 6.473 1.257 687 1HG2 ILE 2 1HG2 ILE 2 56.259 4.560 4.684 688 2HG2 ILE 2 2HG2 ILE 2 57.140 4.110 3.224 689 3HG2 ILE 2 3HG2 ILE 2 57.865 5.225 4.383 690 1HD1 ILE 2 1HD1 ILE 2 57.898 4.869 1.692 691 2HD1 ILE 2 2HD1 ILE 2 56.871 4.368 0.349 692 3HD1 ILE 2 3HD1 ILE 2 57.511 6.011 0.405 693 H SER 3 H SER 3 52.599 7.115 3.664 694 HA SER 3 HA SER 3 51.348 4.671 4.327 695 1HB SER 3 1HB SER 3 50.070 6.174 2.159 696 2HB SER 3 2HB SER 3 49.513 5.902 3.806 697 HG SER 3 HG SER 3 49.985 7.970 3.934 698 H ALA 4 H ALA 4 50.208 3.185 2.742 699 HA ALA 4 HA ALA 4 52.116 2.207 0.745 700 1HB ALA 4 1HB ALA 4 50.673 0.839 2.324 701 2HB ALA 4 2HB ALA 4 49.283 1.310 1.347 702 3HB ALA 4 3HB ALA 4 50.577 0.348 0.633 703 H ASP 5 H ASP 5 48.741 3.420 0.650 704 HA ASP 5 HA ASP 5 48.646 3.453 -2.259 705 1HB ASP 5 1HB ASP 5 46.940 4.794 -0.134 706 2HB ASP 5 2HB ASP 5 46.481 4.568 -1.821 707 H ALA 6 H ALA 6 49.128 5.922 0.276 708 HA ALA 6 HA ALA 6 49.108 8.265 -1.264 709 1HB ALA 6 1HB ALA 6 49.503 7.732 1.284 710 2HB ALA 6 2HB ALA 6 51.208 7.764 0.832 711 3HB ALA 6 3HB ALA 6 50.205 9.193 0.589 712 H MET 7 H MET 7 51.579 5.750 -1.085 713 HA MET 7 HA MET 7 53.647 7.279 -2.447 714 1HB MET 7 1HB MET 7 54.021 5.351 -0.910 715 2HB MET 7 2HB MET 7 53.251 4.290 -2.090 716 1HG MET 7 1HG MET 7 55.000 5.224 -3.762 717 2HG MET 7 2HG MET 7 55.865 5.773 -2.327 718 1HE MET 7 1HE MET 7 57.578 4.582 -3.560 719 2HE MET 7 2HE MET 7 58.066 2.931 -3.156 720 3HE MET 7 3HE MET 7 57.013 3.229 -4.536 721 H MET 8 H MET 8 50.973 5.225 -3.445 722 HA MET 8 HA MET 8 51.905 4.822 -6.175 723 1HB MET 8 1HB MET 8 49.121 4.649 -4.976 724 2HB MET 8 2HB MET 8 49.684 3.849 -6.444 725 1HG MET 8 1HG MET 8 50.666 3.341 -3.622 726 2HG MET 8 2HG MET 8 49.717 2.240 -4.620 727 1HE MET 8 1HE MET 8 52.654 2.443 -3.057 728 2HE MET 8 2HE MET 8 54.050 2.284 -4.132 729 3HE MET 8 3HE MET 8 53.246 3.841 -3.951 730 H GLN 9 H GLN 9 49.878 7.197 -4.511 731 HA GLN 9 HA GLN 9 48.851 8.455 -6.920 732 1HB GLN 9 1HB GLN 9 47.701 8.605 -4.785 733 2HB GLN 9 2HB GLN 9 49.124 9.315 -4.022 734 1HG GLN 9 1HG GLN 9 48.233 11.326 -4.535 735 2HG GLN 9 2HG GLN 9 48.657 10.971 -6.210 736 1HE2 GLN 9 2HE2 GLN 9 46.705 8.744 -6.454 737 2HE2 GLN 9 1HE2 GLN 9 45.170 9.467 -6.518 738 H ALA 10 H ALA 10 51.653 8.976 -4.808 739 HA ALA 10 HA ALA 10 52.464 11.472 -6.075 740 1HB ALA 10 1HB ALA 10 53.537 9.499 -4.089 741 2HB ALA 10 2HB ALA 10 54.648 10.678 -4.785 742 3HB ALA 10 3HB ALA 10 53.231 11.223 -3.889 743 H LEU 11 H LEU 11 53.721 8.115 -6.164 744 HA LEU 11 HA LEU 11 54.733 8.660 -8.923 745 1HB LEU 11 1HB LEU 11 56.874 7.642 -8.300 746 2HB LEU 11 2HB LEU 11 56.525 8.986 -7.213 747 HG LEU 11 HG LEU 11 55.461 6.380 -6.322 748 1HD1 LEU 11 1HD1 LEU 11 58.112 6.471 -7.327 749 2HD1 LEU 11 2HD1 LEU 11 58.237 6.479 -5.568 750 3HD1 LEU 11 3HD1 LEU 11 57.365 5.182 -6.384 751 1HD2 LEU 11 1HD2 LEU 11 56.386 8.918 -5.259 752 2HD2 LEU 11 2HD2 LEU 11 55.395 7.686 -4.479 753 3HD2 LEU 11 3HD2 LEU 11 57.154 7.577 -4.411 754 H LEU 12 H LEU 12 55.598 6.371 -9.785 755 HA LEU 12 HA LEU 12 55.086 4.125 -10.327 756 1HB LEU 12 1HB LEU 12 53.487 4.097 -7.757 757 2HB LEU 12 2HB LEU 12 54.307 2.751 -8.538 758 HG LEU 12 HG LEU 12 55.964 5.096 -7.690 759 1HD1 LEU 12 1HD1 LEU 12 54.240 4.098 -5.855 760 2HD1 LEU 12 2HD1 LEU 12 55.565 2.947 -5.685 761 3HD1 LEU 12 3HD1 LEU 12 55.856 4.670 -5.445 762 1HD2 LEU 12 1HD2 LEU 12 56.619 2.848 -8.936 763 2HD2 LEU 12 2HD2 LEU 12 57.682 3.531 -7.707 764 3HD2 LEU 12 3HD2 LEU 12 56.605 2.195 -7.298 765 H GLY 13 H GLY 13 53.460 3.290 -11.642 766 1HA GLY 13 1HA GLY 13 50.758 3.193 -11.420 767 2HA GLY 13 2HA GLY 13 50.992 4.879 -11.883 768 H ALA 14 H ALA 14 51.675 5.355 -14.007 769 HA ALA 14 HA ALA 14 52.633 3.418 -15.896 770 1HB ALA 14 1HB ALA 14 49.813 3.404 -15.254 771 2HB ALA 14 2HB ALA 14 50.040 3.830 -16.951 772 3HB ALA 14 3HB ALA 14 50.705 2.321 -16.323 773 H ARG 15 H ARG 15 53.681 5.795 -15.717 774 HA ARG 15 HA ARG 15 52.351 7.967 -17.078 775 1HB ARG 15 1HB ARG 15 54.960 7.283 -15.912 776 2HB ARG 15 2HB ARG 15 55.081 8.378 -17.290 777 1HG ARG 15 1HG ARG 15 52.943 9.425 -15.901 778 2HG ARG 15 2HG ARG 15 54.000 8.871 -14.602 779 1HD ARG 15 1HD ARG 15 55.643 10.404 -15.106 780 2HD ARG 15 2HD ARG 15 55.308 10.337 -16.848 781 HE ARG 15 HE ARG 15 53.017 11.431 -15.578 782 1HH1 ARG 15 1HH1 ARG 15 54.614 12.671 -17.856 783 2HH1 ARG 15 2HH1 ARG 15 55.137 14.155 -17.132 784 1HH2 ARG 15 1HH2 ARG 15 54.426 13.133 -13.895 785 2HH2 ARG 15 2HH2 ARG 15 55.030 14.416 -14.890 786 H ALA 16 H ALA 16 55.348 6.400 -18.214 787 HA ALA 16 HA ALA 16 54.541 6.871 -21.014 788 1HB ALA 16 1HB ALA 16 56.966 6.287 -19.434 789 2HB ALA 16 2HB ALA 16 56.947 5.544 -21.032 790 3HB ALA 16 3HB ALA 16 56.779 7.293 -20.870 791 H LYS 17 H LYS 17 52.937 5.336 -21.539 792 HA LYS 17 HA LYS 17 53.097 2.545 -20.750 793 1HB LYS 17 1HB LYS 17 51.121 4.158 -21.482 794 2HB LYS 17 2HB LYS 17 51.512 3.547 -23.089 795 1HG LYS 17 1HG LYS 17 50.976 1.336 -22.522 796 2HG LYS 17 2HG LYS 17 51.157 1.636 -20.793 797 1HD LYS 17 1HD LYS 17 49.030 3.059 -22.384 798 2HD LYS 17 2HD LYS 17 48.750 1.436 -21.752 799 1HE LYS 17 1HE LYS 17 49.470 2.339 -19.466 800 2HE LYS 17 2HE LYS 17 49.342 3.958 -20.182 801 1HZ LYS 17 1HZ LYS 17 47.184 1.943 -20.417 802 2HZ LYS 17 2HZ LYS 17 47.248 3.049 -19.129 803 3HZ LYS 17 3HZ LYS 17 47.096 3.608 -20.727 Start of MODEL 25 1 1H MET 1 1H MET 1 58.137 -18.785 19.096 2 2H MET 1 2H MET 1 57.041 -18.034 20.155 3 3H MET 1 3H MET 1 56.526 -19.312 19.162 4 HA MET 1 HA MET 1 56.227 -17.994 17.372 5 1HB MET 1 1HB MET 1 56.454 -16.031 19.678 6 2HB MET 1 2HB MET 1 55.646 -15.688 18.148 7 1HG MET 1 1HG MET 1 54.445 -18.031 18.802 8 2HG MET 1 2HG MET 1 54.764 -17.387 20.412 9 1HE MET 1 1HE MET 1 53.754 -16.092 21.530 10 2HE MET 1 2HE MET 1 53.668 -14.430 20.953 11 3HE MET 1 3HE MET 1 52.184 -15.347 21.241 12 H ASP 2 H ASP 2 57.946 -17.930 15.918 13 HA ASP 2 HA ASP 2 60.082 -15.885 16.439 14 1HB ASP 2 1HB ASP 2 60.201 -18.709 16.044 15 2HB ASP 2 2HB ASP 2 60.914 -17.945 14.622 16 H ASP 3 H ASP 3 57.847 -14.979 15.141 17 HA ASP 3 HA ASP 3 58.822 -14.672 12.337 18 1HB ASP 3 1HB ASP 3 56.465 -16.093 13.299 19 2HB ASP 3 2HB ASP 3 56.027 -14.803 12.179 20 H ILE 4 H ILE 4 55.702 -13.684 13.648 21 HA ILE 4 HA ILE 4 54.818 -11.552 14.149 22 HB ILE 4 HB ILE 4 57.714 -10.673 14.267 23 1HG1 ILE 4 1HG1 ILE 4 57.264 -12.857 15.512 24 2HG1 ILE 4 2HG1 ILE 4 57.846 -11.525 16.511 25 1HG2 ILE 4 1HG2 ILE 4 55.141 -9.805 15.603 26 2HG2 ILE 4 2HG2 ILE 4 56.731 -9.280 16.155 27 3HG2 ILE 4 3HG2 ILE 4 56.176 -8.856 14.535 28 1HD1 ILE 4 1HD1 ILE 4 54.940 -12.321 16.171 29 2HD1 ILE 4 2HD1 ILE 4 55.938 -12.671 17.582 30 3HD1 ILE 4 3HD1 ILE 4 55.535 -11.001 17.178 31 H TYR 5 H TYR 5 57.776 -11.102 12.164 32 HA TYR 5 HA TYR 5 56.320 -9.144 10.476 33 1HB TYR 5 1HB TYR 5 59.205 -10.091 10.523 34 2HB TYR 5 2HB TYR 5 58.593 -8.712 9.610 35 HD1 TYR 5 HD1 TYR 5 59.035 -10.064 13.054 36 HD2 TYR 5 HD2 TYR 5 58.263 -6.595 10.641 37 HE1 TYR 5 HE1 TYR 5 59.305 -8.618 15.049 38 HE2 TYR 5 HE2 TYR 5 58.536 -5.148 12.636 39 HH TYR 5 HH TYR 5 59.981 -5.622 15.066 40 H LYS 6 H LYS 6 58.516 -11.910 9.811 41 HA LYS 6 HA LYS 6 57.886 -12.293 7.107 42 1HB LYS 6 1HB LYS 6 58.863 -13.933 9.390 43 2HB LYS 6 2HB LYS 6 58.325 -14.823 7.965 44 1HG LYS 6 1HG LYS 6 60.199 -14.269 6.849 45 2HG LYS 6 2HG LYS 6 59.921 -12.555 7.159 46 1HD LYS 6 1HD LYS 6 60.917 -12.830 9.423 47 2HD LYS 6 2HD LYS 6 61.269 -14.515 9.038 48 1HE LYS 6 1HE LYS 6 62.706 -13.810 7.163 49 2HE LYS 6 2HE LYS 6 62.340 -12.109 7.517 50 1HZ LYS 6 1HZ LYS 6 63.108 -12.563 9.833 51 2HZ LYS 6 2HZ LYS 6 63.681 -14.069 9.297 52 3HZ LYS 6 3HZ LYS 6 64.339 -12.640 8.663 53 H ALA 7 H ALA 7 55.965 -13.057 9.935 54 HA ALA 7 HA ALA 7 54.200 -15.012 8.842 55 1HB ALA 7 1HB ALA 7 54.580 -13.848 11.235 56 2HB ALA 7 2HB ALA 7 53.189 -12.904 10.700 57 3HB ALA 7 3HB ALA 7 53.068 -14.661 10.826 58 H ALA 8 H ALA 8 53.739 -11.459 9.096 59 HA ALA 8 HA ALA 8 51.311 -11.309 7.631 60 1HB ALA 8 1HB ALA 8 53.537 -9.533 8.465 61 2HB ALA 8 2HB ALA 8 52.556 -8.937 7.126 62 3HB ALA 8 3HB ALA 8 51.797 -9.324 8.671 63 H VAL 9 H VAL 9 54.636 -11.642 6.543 64 HA VAL 9 HA VAL 9 54.276 -10.791 3.822 65 HB VAL 9 HB VAL 9 56.169 -12.882 4.939 66 1HG1 VAL 9 1HG1 VAL 9 56.224 -10.999 2.572 67 2HG1 VAL 9 2HG1 VAL 9 57.680 -11.782 3.191 68 3HG1 VAL 9 3HG1 VAL 9 56.353 -12.759 2.562 69 1HG2 VAL 9 1HG2 VAL 9 56.182 -9.866 5.115 70 2HG2 VAL 9 2HG2 VAL 9 56.400 -11.037 6.415 71 3HG2 VAL 9 3HG2 VAL 9 57.674 -10.801 5.218 72 H GLU 10 H GLU 10 54.193 -14.043 5.322 73 HA GLU 10 HA GLU 10 53.771 -15.679 3.128 74 1HB GLU 10 1HB GLU 10 52.833 -15.586 5.959 75 2HB GLU 10 2HB GLU 10 52.064 -16.770 4.901 76 1HG GLU 10 1HG GLU 10 55.057 -16.519 4.914 77 2HG GLU 10 2HG GLU 10 54.252 -17.432 6.191 78 H GLN 11 H GLN 11 51.562 -13.271 4.406 79 HA GLN 11 HA GLN 11 49.227 -14.299 2.955 80 1HB GLN 11 1HB GLN 11 49.932 -12.228 4.909 81 2HB GLN 11 2HB GLN 11 48.733 -11.681 3.735 82 1HG GLN 11 1HG GLN 11 47.749 -12.789 5.781 83 2HG GLN 11 2HG GLN 11 47.274 -13.531 4.252 84 1HE2 GLN 11 2HE2 GLN 11 50.251 -13.858 6.275 85 2HE2 GLN 11 1HE2 GLN 11 50.172 -15.550 6.374 86 H LEU 12 H LEU 12 51.988 -12.631 2.017 87 HA LEU 12 HA LEU 12 51.079 -10.580 0.286 88 1HB LEU 12 1HB LEU 12 53.441 -12.331 0.636 89 2HB LEU 12 2HB LEU 12 53.269 -11.637 -0.972 90 HG LEU 12 HG LEU 12 54.592 -10.283 0.802 91 1HD1 LEU 12 1HD1 LEU 12 52.629 -9.459 -1.216 92 2HD1 LEU 12 2HD1 LEU 12 52.961 -8.208 -0.017 93 3HD1 LEU 12 3HD1 LEU 12 54.281 -8.899 -0.960 94 1HD2 LEU 12 1HD2 LEU 12 52.400 -10.662 2.346 95 2HD2 LEU 12 2HD2 LEU 12 53.471 -9.272 2.529 96 3HD2 LEU 12 3HD2 LEU 12 51.977 -9.118 1.605 97 H THR 13 H THR 13 49.058 -11.540 -0.652 98 HA THR 13 HA THR 13 48.901 -13.885 -2.205 99 HB THR 13 HB THR 13 47.098 -12.515 -3.426 100 HG1 THR 13 HG1 THR 13 46.968 -10.457 -3.000 101 1HG2 THR 13 1HG2 THR 13 47.287 -12.952 -0.469 102 2HG2 THR 13 2HG2 THR 13 45.885 -12.101 -1.117 103 3HG2 THR 13 3HG2 THR 13 46.245 -13.742 -1.653 104 H GLU 14 H GLU 14 48.508 -13.634 -4.764 105 HA GLU 14 HA GLU 14 51.072 -13.115 -5.952 106 1HB GLU 14 1HB GLU 14 48.761 -14.475 -6.563 107 2HB GLU 14 2HB GLU 14 48.693 -13.125 -7.696 108 1HG GLU 14 1HG GLU 14 50.169 -14.220 -8.995 109 2HG GLU 14 2HG GLU 14 51.372 -14.007 -7.722 110 H GLU 15 H GLU 15 47.961 -11.339 -6.188 111 HA GLU 15 HA GLU 15 49.059 -9.196 -7.794 112 1HB GLU 15 1HB GLU 15 46.577 -10.132 -7.009 113 2HB GLU 15 2HB GLU 15 46.710 -8.609 -6.126 114 1HG GLU 15 1HG GLU 15 47.670 -8.335 -8.858 115 2HG GLU 15 2HG GLU 15 46.003 -8.907 -8.817 116 H GLN 16 H GLN 16 48.551 -9.642 -4.299 117 HA GLN 16 HA GLN 16 49.130 -6.957 -3.488 118 1HB GLN 16 1HB GLN 16 48.077 -8.470 -1.976 119 2HB GLN 16 2HB GLN 16 49.335 -9.686 -2.203 120 1HG GLN 16 1HG GLN 16 50.650 -8.759 -0.624 121 2HG GLN 16 2HG GLN 16 50.431 -7.141 -1.293 122 1HE2 GLN 16 2HE2 GLN 16 49.073 -9.493 0.997 123 2HE2 GLN 16 1HE2 GLN 16 48.062 -8.389 1.797 124 H LYS 17 H LYS 17 51.236 -9.791 -3.998 125 HA LYS 17 HA LYS 17 53.640 -8.497 -3.047 126 1HB LYS 17 1HB LYS 17 53.694 -10.829 -3.018 127 2HB LYS 17 2HB LYS 17 52.857 -10.965 -4.563 128 1HG LYS 17 1HG LYS 17 55.545 -9.670 -4.578 129 2HG LYS 17 2HG LYS 17 55.487 -11.418 -4.340 130 1HD LYS 17 1HD LYS 17 54.878 -11.796 -6.485 131 2HD LYS 17 2HD LYS 17 53.680 -10.499 -6.451 132 1HE LYS 17 1HE LYS 17 55.447 -9.964 -8.088 133 2HE LYS 17 2HE LYS 17 55.548 -8.836 -6.721 134 1HZ LYS 17 1HZ LYS 17 57.088 -10.560 -5.694 135 2HZ LYS 17 2HZ LYS 17 57.205 -11.232 -7.249 136 3HZ LYS 17 3HZ LYS 17 57.718 -9.639 -6.974 137 H ASN 18 H ASN 18 51.948 -8.623 -6.125 138 HA ASN 18 HA ASN 18 54.166 -7.637 -7.739 139 1HB ASN 18 1HB ASN 18 51.176 -7.954 -8.055 140 2HB ASN 18 2HB ASN 18 52.163 -7.236 -9.328 141 1HD2 ASN 18 2HD2 ASN 18 50.739 -10.047 -8.828 142 2HD2 ASN 18 1HD2 ASN 18 51.924 -11.140 -9.356 143 H GLU 19 H GLU 19 51.984 -6.194 -5.523 144 HA GLU 19 HA GLU 19 51.922 -3.550 -6.799 145 1HB GLU 19 1HB GLU 19 50.703 -5.000 -4.569 146 2HB GLU 19 2HB GLU 19 51.098 -3.333 -4.148 147 1HG GLU 19 1HG GLU 19 49.983 -3.345 -6.785 148 2HG GLU 19 2HG GLU 19 48.914 -4.269 -5.727 149 H PHE 20 H PHE 20 53.361 -4.873 -3.777 150 HA PHE 20 HA PHE 20 54.811 -2.472 -3.145 151 1HB PHE 20 1HB PHE 20 55.645 -3.763 -1.370 152 2HB PHE 20 2HB PHE 20 54.139 -4.592 -1.752 153 HD1 PHE 20 HD1 PHE 20 57.802 -4.622 -2.522 154 HD2 PHE 20 HD2 PHE 20 54.152 -6.876 -2.313 155 HE1 PHE 20 HE1 PHE 20 59.067 -6.708 -2.964 156 HE2 PHE 20 HE2 PHE 20 55.419 -8.964 -2.759 157 HZ PHE 20 HZ PHE 20 57.874 -8.879 -3.083 158 H LYS 21 H LYS 21 55.748 -5.446 -4.883 159 HA LYS 21 HA LYS 21 58.487 -5.068 -5.222 160 1HB LYS 21 1HB LYS 21 58.218 -6.459 -7.157 161 2HB LYS 21 2HB LYS 21 56.920 -6.913 -6.052 162 1HG LYS 21 1HG LYS 21 55.738 -6.659 -8.041 163 2HG LYS 21 2HG LYS 21 55.575 -5.046 -7.343 164 1HD LYS 21 1HD LYS 21 56.631 -4.155 -9.116 165 2HD LYS 21 2HD LYS 21 58.045 -5.157 -8.789 166 1HE LYS 21 1HE LYS 21 56.284 -6.976 -9.909 167 2HE LYS 21 2HE LYS 21 55.970 -5.497 -10.840 168 1HZ LYS 21 1HZ LYS 21 58.700 -6.482 -10.221 169 2HZ LYS 21 2HZ LYS 21 57.885 -6.861 -11.662 170 3HZ LYS 21 3HZ LYS 21 58.268 -5.246 -11.299 171 H ALA 22 H ALA 22 55.866 -3.206 -6.622 172 HA ALA 22 HA ALA 22 57.390 -1.950 -8.737 173 1HB ALA 22 1HB ALA 22 54.885 -2.152 -8.530 174 2HB ALA 22 2HB ALA 22 54.947 -0.960 -7.231 175 3HB ALA 22 3HB ALA 22 55.434 -0.510 -8.865 176 H ALA 23 H ALA 23 56.273 -0.697 -5.562 177 HA ALA 23 HA ALA 23 57.612 1.771 -5.571 178 1HB ALA 23 1HB ALA 23 56.511 -0.152 -3.623 179 2HB ALA 23 2HB ALA 23 57.732 0.929 -2.953 180 3HB ALA 23 3HB ALA 23 56.291 1.595 -3.720 181 H PHE 24 H PHE 24 58.852 -1.416 -4.529 182 HA PHE 24 HA PHE 24 61.426 -0.505 -3.651 183 1HB PHE 24 1HB PHE 24 60.642 -2.652 -2.984 184 2HB PHE 24 2HB PHE 24 60.271 -3.117 -4.644 185 HD1 PHE 24 HD1 PHE 24 62.041 -3.766 -6.206 186 HD2 PHE 24 HD2 PHE 24 62.936 -2.688 -2.147 187 HE1 PHE 24 HE1 PHE 24 64.311 -4.733 -6.450 188 HE2 PHE 24 HE2 PHE 24 65.207 -3.654 -2.390 189 HZ PHE 24 HZ PHE 24 65.893 -4.678 -4.542 190 H ASP 25 H ASP 25 60.169 -1.458 -6.824 191 HA ASP 25 HA ASP 25 62.724 -1.576 -8.172 192 1HB ASP 25 1HB ASP 25 59.955 -1.990 -8.686 193 2HB ASP 25 2HB ASP 25 60.543 -0.850 -9.898 194 H ILE 26 H ILE 26 60.151 0.932 -8.178 195 HA ILE 26 HA ILE 26 61.579 2.867 -9.699 196 HB ILE 26 HB ILE 26 59.416 2.992 -7.587 197 1HG1 ILE 26 1HG1 ILE 26 58.311 3.814 -9.914 198 2HG1 ILE 26 2HG1 ILE 26 59.585 2.772 -10.549 199 1HG2 ILE 26 1HG2 ILE 26 60.866 5.185 -9.004 200 2HG2 ILE 26 2HG2 ILE 26 59.119 5.343 -8.830 201 3HG2 ILE 26 3HG2 ILE 26 60.135 5.177 -7.398 202 1HD1 ILE 26 1HD1 ILE 26 57.778 1.842 -8.321 203 2HD1 ILE 26 2HD1 ILE 26 57.303 1.676 -10.011 204 3HD1 ILE 26 3HD1 ILE 26 58.757 0.872 -9.421 205 H PHE 27 H PHE 27 61.792 1.946 -6.323 206 HA PHE 27 HA PHE 27 63.087 4.288 -5.293 207 1HB PHE 27 1HB PHE 27 62.727 1.416 -4.571 208 2HB PHE 27 2HB PHE 27 63.996 2.299 -3.724 209 HD1 PHE 27 HD1 PHE 27 62.856 5.025 -3.600 210 HD2 PHE 27 HD2 PHE 27 60.984 1.206 -2.994 211 HE1 PHE 27 HE1 PHE 27 61.149 6.091 -2.155 212 HE2 PHE 27 HE2 PHE 27 59.277 2.274 -1.545 213 HZ PHE 27 HZ PHE 27 59.360 4.715 -1.126 214 H VAL 28 H VAL 28 64.427 1.218 -6.567 215 HA VAL 28 HA VAL 28 67.171 2.335 -6.468 216 HB VAL 28 HB VAL 28 67.808 0.056 -6.918 217 1HG1 VAL 28 1HG1 VAL 28 65.886 0.725 -4.873 218 2HG1 VAL 28 2HG1 VAL 28 65.659 -0.951 -5.374 219 3HG1 VAL 28 3HG1 VAL 28 67.233 -0.409 -4.792 220 1HG2 VAL 28 1HG2 VAL 28 65.119 -0.010 -8.147 221 2HG2 VAL 28 2HG2 VAL 28 66.580 -0.892 -8.589 222 3HG2 VAL 28 3HG2 VAL 28 65.566 -1.472 -7.268 223 H LEU 29 H LEU 29 64.778 2.950 -8.492 224 HA LEU 29 HA LEU 29 65.349 2.165 -11.094 225 1HB LEU 29 1HB LEU 29 64.096 4.390 -9.701 226 2HB LEU 29 2HB LEU 29 64.827 4.923 -11.215 227 HG LEU 29 HG LEU 29 62.986 2.527 -10.979 228 1HD1 LEU 29 1HD1 LEU 29 62.060 4.951 -10.533 229 2HD1 LEU 29 2HD1 LEU 29 62.234 5.129 -12.278 230 3HD1 LEU 29 3HD1 LEU 29 61.189 3.871 -11.620 231 1HD2 LEU 29 1HD2 LEU 29 64.053 4.090 -13.355 232 2HD2 LEU 29 2HD2 LEU 29 64.561 2.469 -12.876 233 3HD2 LEU 29 3HD2 LEU 29 62.915 2.745 -13.447 234 H GLY 30 H GLY 30 67.517 1.944 -11.726 235 1HA GLY 30 1HA GLY 30 69.291 3.132 -12.948 236 2HA GLY 30 2HA GLY 30 69.092 4.478 -11.827 237 H ALA 31 H ALA 31 68.849 1.843 -9.910 238 HA ALA 31 HA ALA 31 71.454 2.201 -8.718 239 1HB ALA 31 1HB ALA 31 69.286 0.096 -8.442 240 2HB ALA 31 2HB ALA 31 70.662 0.244 -7.349 241 3HB ALA 31 3HB ALA 31 69.476 1.545 -7.455 242 H GLU 32 H GLU 32 73.342 1.065 -9.094 243 HA GLU 32 HA GLU 32 73.656 -0.546 -11.450 244 1HB GLU 32 1HB GLU 32 75.220 0.684 -9.414 245 2HB GLU 32 2HB GLU 32 75.706 -1.011 -9.485 246 1HG GLU 32 1HG GLU 32 75.330 0.304 -12.110 247 2HG GLU 32 2HG GLU 32 76.685 0.904 -11.154 248 H ASP 33 H ASP 33 72.814 -1.326 -8.138 249 HA ASP 33 HA ASP 33 73.004 -4.247 -8.802 250 1HB ASP 33 1HB ASP 33 74.038 -2.685 -6.691 251 2HB ASP 33 2HB ASP 33 72.710 -3.612 -5.990 252 H GLY 34 H GLY 34 71.036 -1.793 -7.099 253 1HA GLY 34 1HA GLY 34 68.568 -1.899 -7.680 254 2HA GLY 34 2HA GLY 34 68.694 -3.634 -7.389 255 H CYS 35 H CYS 35 70.676 -1.939 -5.256 256 HA CYS 35 HA CYS 35 68.838 -2.504 -3.012 257 1HB CYS 35 1HB CYS 35 71.725 -1.866 -3.460 258 2HB CYS 35 2HB CYS 35 71.048 -1.516 -1.869 259 HG CYS 35 HG CYS 35 70.969 -4.379 -3.140 260 H ILE 36 H ILE 36 69.074 -0.648 -1.194 261 HA ILE 36 HA ILE 36 68.615 2.005 -2.520 262 HB ILE 36 HB ILE 36 67.030 0.528 -0.399 263 1HG1 ILE 36 1HG1 ILE 36 66.239 1.790 -3.045 264 2HG1 ILE 36 2HG1 ILE 36 66.529 0.068 -2.799 265 1HG2 ILE 36 1HG2 ILE 36 67.319 3.432 -0.926 266 2HG2 ILE 36 2HG2 ILE 36 65.662 2.846 -0.781 267 3HG2 ILE 36 3HG2 ILE 36 66.803 2.600 0.540 268 1HD1 ILE 36 1HD1 ILE 36 64.767 0.286 -0.889 269 2HD1 ILE 36 2HD1 ILE 36 64.305 1.778 -1.707 270 3HD1 ILE 36 3HD1 ILE 36 64.199 0.236 -2.557 271 H SER 37 H SER 37 69.357 3.794 -1.331 272 HA SER 37 HA SER 37 70.420 3.468 1.405 273 1HB SER 37 1HB SER 37 71.980 3.108 -0.962 274 2HB SER 37 2HB SER 37 72.508 4.584 -0.166 275 HG SER 37 HG SER 37 72.882 3.424 1.695 276 H THR 38 H THR 38 68.389 5.080 0.363 277 HA THR 38 HA THR 38 67.625 7.309 0.605 278 HB THR 38 HB THR 38 68.934 8.772 1.855 279 HG1 THR 38 HG1 THR 38 71.032 9.113 1.503 280 1HG2 THR 38 1HG2 THR 38 68.971 6.219 2.697 281 2HG2 THR 38 2HG2 THR 38 70.707 6.487 2.541 282 3HG2 THR 38 3HG2 THR 38 69.746 7.525 3.594 283 H LYS 39 H LYS 39 70.883 7.197 -0.929 284 HA LYS 39 HA LYS 39 70.593 9.289 -2.772 285 1HB LYS 39 1HB LYS 39 72.477 7.488 -2.250 286 2HB LYS 39 2HB LYS 39 71.749 6.645 -3.618 287 1HG LYS 39 1HG LYS 39 72.119 9.486 -4.166 288 2HG LYS 39 2HG LYS 39 73.641 8.689 -3.770 289 1HD LYS 39 1HD LYS 39 71.715 7.430 -5.714 290 2HD LYS 39 2HD LYS 39 72.851 8.667 -6.250 291 1HE LYS 39 1HE LYS 39 74.748 7.335 -5.503 292 2HE LYS 39 2HE LYS 39 73.660 6.132 -4.782 293 1HZ LYS 39 1HZ LYS 39 73.347 6.909 -7.608 294 2HZ LYS 39 2HZ LYS 39 74.514 5.755 -7.178 295 3HZ LYS 39 3HZ LYS 39 72.874 5.471 -6.834 296 H GLU 40 H GLU 40 69.307 5.993 -2.893 297 HA GLU 40 HA GLU 40 68.003 6.485 -5.516 298 1HB GLU 40 1HB GLU 40 67.921 4.060 -3.692 299 2HB GLU 40 2HB GLU 40 67.568 4.106 -5.419 300 1HG GLU 40 1HG GLU 40 69.738 3.358 -5.531 301 2HG GLU 40 2HG GLU 40 70.059 5.093 -5.500 302 H LEU 41 H LEU 41 67.242 5.988 -2.099 303 HA LEU 41 HA LEU 41 64.358 5.884 -2.436 304 1HB LEU 41 1HB LEU 41 66.008 5.045 -0.563 305 2HB LEU 41 2HB LEU 41 65.814 6.677 0.076 306 HG LEU 41 HG LEU 41 64.142 5.341 1.144 307 1HD1 LEU 41 1HD1 LEU 41 63.482 7.584 0.069 308 2HD1 LEU 41 2HD1 LEU 41 62.661 6.617 -1.156 309 3HD1 LEU 41 3HD1 LEU 41 62.169 6.503 0.535 310 1HD2 LEU 41 1HD2 LEU 41 63.856 4.193 -1.603 311 2HD2 LEU 41 2HD2 LEU 41 63.874 3.373 -0.042 312 3HD2 LEU 41 3HD2 LEU 41 62.426 4.227 -0.572 313 H GLY 42 H GLY 42 66.624 8.404 -1.269 314 1HA GLY 42 1HA GLY 42 64.760 10.423 -0.691 315 2HA GLY 42 2HA GLY 42 66.402 10.741 -1.250 316 H LYS 43 H LYS 43 66.056 9.425 -3.831 317 HA LYS 43 HA LYS 43 65.312 11.540 -5.489 318 1HB LYS 43 1HB LYS 43 65.705 8.641 -5.664 319 2HB LYS 43 2HB LYS 43 64.593 9.252 -6.890 320 1HG LYS 43 1HG LYS 43 66.341 11.073 -7.344 321 2HG LYS 43 2HG LYS 43 67.450 10.094 -6.385 322 1HD LYS 43 1HD LYS 43 67.845 9.336 -8.568 323 2HD LYS 43 2HD LYS 43 66.704 8.146 -7.942 324 1HE LYS 43 1HE LYS 43 65.154 10.287 -9.003 325 2HE LYS 43 2HE LYS 43 66.380 9.867 -10.216 326 1HZ LYS 43 1HZ LYS 43 65.782 7.455 -9.499 327 2HZ LYS 43 2HZ LYS 43 64.324 8.158 -8.991 328 3HZ LYS 43 3HZ LYS 43 64.797 8.270 -10.620 329 H VAL 44 H VAL 44 63.215 9.300 -3.791 330 HA VAL 44 HA VAL 44 60.828 10.030 -5.358 331 HB VAL 44 HB VAL 44 61.564 8.215 -3.082 332 1HG1 VAL 44 1HG1 VAL 44 59.462 9.391 -2.387 333 2HG1 VAL 44 2HG1 VAL 44 58.702 8.833 -3.877 334 3HG1 VAL 44 3HG1 VAL 44 59.229 7.667 -2.664 335 1HG2 VAL 44 1HG2 VAL 44 61.695 7.561 -5.517 336 2HG2 VAL 44 2HG2 VAL 44 60.646 6.525 -4.551 337 3HG2 VAL 44 3HG2 VAL 44 59.943 7.752 -5.604 338 H MET 45 H MET 45 62.107 10.614 -2.075 339 HA MET 45 HA MET 45 60.072 11.955 -0.802 340 1HB MET 45 1HB MET 45 63.038 12.287 -0.976 341 2HB MET 45 2HB MET 45 62.128 13.515 -0.095 342 1HG MET 45 1HG MET 45 62.659 11.899 1.551 343 2HG MET 45 2HG MET 45 60.987 11.541 1.114 344 1HE MET 45 1HE MET 45 60.279 10.116 -0.603 345 2HE MET 45 2HE MET 45 60.967 8.536 -0.999 346 3HE MET 45 3HE MET 45 60.356 8.855 0.623 347 H ARG 46 H ARG 46 62.324 13.490 -3.139 348 HA ARG 46 HA ARG 46 60.845 16.002 -3.148 349 1HB ARG 46 1HB ARG 46 62.483 16.591 -4.851 350 2HB ARG 46 2HB ARG 46 63.304 15.677 -3.586 351 1HG ARG 46 1HG ARG 46 62.972 13.601 -4.965 352 2HG ARG 46 2HG ARG 46 62.350 14.624 -6.262 353 1HD ARG 46 1HD ARG 46 65.116 14.847 -5.015 354 2HD ARG 46 2HD ARG 46 64.751 14.194 -6.624 355 HE ARG 46 HE ARG 46 63.528 16.643 -6.710 356 1HH1 ARG 46 1HH1 ARG 46 66.058 16.608 -4.629 357 2HH1 ARG 46 2HH1 ARG 46 67.114 17.622 -5.556 358 1HH2 ARG 46 1HH2 ARG 46 65.144 17.516 -8.409 359 2HH2 ARG 46 2HH2 ARG 46 66.596 18.137 -7.696 360 H MET 47 H MET 47 60.509 12.965 -4.753 361 HA MET 47 HA MET 47 59.083 14.052 -7.090 362 1HB MET 47 1HB MET 47 60.451 11.690 -6.352 363 2HB MET 47 2HB MET 47 58.774 11.215 -6.627 364 1HG MET 47 1HG MET 47 58.782 12.113 -8.842 365 2HG MET 47 2HG MET 47 60.309 12.951 -8.569 366 1HE MET 47 1HE MET 47 58.456 9.759 -8.418 367 2HE MET 47 2HE MET 47 58.792 9.708 -10.154 368 3HE MET 47 3HE MET 47 59.500 8.504 -9.081 369 H LEU 48 H LEU 48 58.299 12.389 -4.038 370 HA LEU 48 HA LEU 48 55.497 12.006 -4.568 371 1HB LEU 48 1HB LEU 48 56.937 12.447 -1.928 372 2HB LEU 48 2HB LEU 48 55.396 11.622 -2.153 373 HG LEU 48 HG LEU 48 58.060 10.710 -3.282 374 1HD1 LEU 48 1HD1 LEU 48 56.367 9.783 -0.955 375 2HD1 LEU 48 2HD1 LEU 48 57.616 8.773 -1.684 376 3HD1 LEU 48 3HD1 LEU 48 58.050 10.305 -0.925 377 1HD2 LEU 48 1HD2 LEU 48 56.050 10.157 -4.681 378 2HD2 LEU 48 2HD2 LEU 48 56.851 8.733 -4.018 379 3HD2 LEU 48 3HD2 LEU 48 55.359 9.325 -3.287 380 H GLY 49 H GLY 49 57.385 14.734 -3.352 381 1HA GLY 49 1HA GLY 49 56.326 16.976 -3.885 382 2HA GLY 49 2HA GLY 49 54.850 16.317 -3.181 383 H GLN 50 H GLN 50 57.904 15.499 -1.737 384 HA GLN 50 HA GLN 50 57.624 17.618 0.330 385 1HB GLN 50 1HB GLN 50 56.468 15.091 0.572 386 2HB GLN 50 2HB GLN 50 57.973 14.952 1.481 387 1HG GLN 50 1HG GLN 50 56.917 15.992 3.180 388 2HG GLN 50 2HG GLN 50 56.970 17.457 2.199 389 1HE2 GLN 50 2HE2 GLN 50 54.992 14.432 2.046 390 2HE2 GLN 50 1HE2 GLN 50 53.504 15.242 1.953 391 H ASN 51 H ASN 51 59.487 17.070 2.074 392 HA ASN 51 HA ASN 51 61.849 15.741 0.963 393 1HB ASN 51 1HB ASN 51 63.135 17.894 0.827 394 2HB ASN 51 2HB ASN 51 61.815 17.802 -0.340 395 1HD2 ASN 51 2HD2 ASN 51 63.194 19.871 1.895 396 2HD2 ASN 51 1HD2 ASN 51 61.843 20.844 2.234 397 HA PRO 52 HA PRO 52 61.813 16.044 5.526 398 1HB PRO 52 1HB PRO 52 62.771 13.511 5.925 399 2HB PRO 52 2HB PRO 52 61.050 13.864 5.682 400 1HG PRO 52 1HG PRO 52 63.052 12.795 3.763 401 2HG PRO 52 2HG PRO 52 61.337 12.398 3.947 402 1HD PRO 52 1HD PRO 52 62.328 14.045 1.994 403 2HD PRO 52 2HD PRO 52 60.663 14.121 2.612 404 H THR 53 H THR 53 63.909 14.878 6.900 405 HA THR 53 HA THR 53 66.222 16.409 5.884 406 HB THR 53 HB THR 53 67.114 15.515 8.165 407 HG1 THR 53 HG1 THR 53 65.845 14.153 9.093 408 1HG2 THR 53 1HG2 THR 53 65.955 17.785 7.554 409 2HG2 THR 53 2HG2 THR 53 64.589 17.117 8.445 410 3HG2 THR 53 3HG2 THR 53 66.142 17.339 9.250 411 HA PRO 54 HA PRO 54 68.404 12.952 4.279 412 1HB PRO 54 1HB PRO 54 70.986 13.592 4.933 413 2HB PRO 54 2HB PRO 54 70.080 14.423 3.653 414 1HG PRO 54 1HG PRO 54 70.621 15.282 6.451 415 2HG PRO 54 2HG PRO 54 70.596 16.239 4.961 416 1HD PRO 54 1HD PRO 54 68.547 16.210 6.755 417 2HD PRO 54 2HD PRO 54 68.322 16.511 5.018 418 H GLU 55 H GLU 55 69.256 13.901 7.606 419 HA GLU 55 HA GLU 55 70.474 11.424 8.389 420 1HB GLU 55 1HB GLU 55 69.882 13.954 9.461 421 2HB GLU 55 2HB GLU 55 69.031 12.811 10.501 422 1HG GLU 55 1HG GLU 55 71.212 13.007 11.440 423 2HG GLU 55 2HG GLU 55 71.217 11.474 10.565 424 H GLU 56 H GLU 56 67.119 12.497 8.196 425 HA GLU 56 HA GLU 56 66.044 10.243 9.715 426 1HB GLU 56 1HB GLU 56 65.066 12.590 8.147 427 2HB GLU 56 2HB GLU 56 63.937 11.256 8.391 428 1HG GLU 56 1HG GLU 56 64.591 11.375 10.875 429 2HG GLU 56 2HG GLU 56 65.321 12.934 10.487 430 H LEU 57 H LEU 57 66.828 10.921 6.363 431 HA LEU 57 HA LEU 57 65.215 9.051 4.996 432 1HB LEU 57 1HB LEU 57 67.482 10.705 4.549 433 2HB LEU 57 2HB LEU 57 67.907 9.095 3.965 434 HG LEU 57 HG LEU 57 65.420 10.655 3.206 435 1HD1 LEU 57 1HD1 LEU 57 68.051 10.846 2.241 436 2HD1 LEU 57 2HD1 LEU 57 67.205 9.843 1.062 437 3HD1 LEU 57 3HD1 LEU 57 66.595 11.451 1.451 438 1HD2 LEU 57 1HD2 LEU 57 66.394 7.864 2.622 439 2HD2 LEU 57 2HD2 LEU 57 64.781 8.392 3.102 440 3HD2 LEU 57 3HD2 LEU 57 65.362 8.707 1.467 441 H GLN 58 H GLN 58 68.610 8.492 6.012 442 HA GLN 58 HA GLN 58 68.872 5.785 5.542 443 1HB GLN 58 1HB GLN 58 70.174 7.778 6.981 444 2HB GLN 58 2HB GLN 58 69.826 6.556 8.203 445 1HG GLN 58 1HG GLN 58 70.798 5.424 5.673 446 2HG GLN 58 2HG GLN 58 71.966 6.488 6.460 447 1HE2 GLN 58 2HE2 GLN 58 71.840 3.418 6.235 448 2HE2 GLN 58 1HE2 GLN 58 71.987 2.883 7.840 449 H GLU 59 H GLU 59 67.197 7.288 8.311 450 HA GLU 59 HA GLU 59 66.654 5.119 9.954 451 1HB GLU 59 1HB GLU 59 65.916 7.550 10.128 452 2HB GLU 59 2HB GLU 59 64.592 7.143 9.035 453 1HG GLU 59 1HG GLU 59 63.437 6.545 10.884 454 2HG GLU 59 2HG GLU 59 64.488 5.129 10.942 455 H MET 60 H MET 60 64.711 6.070 7.091 456 HA MET 60 HA MET 60 62.836 3.994 7.066 457 1HB MET 60 1HB MET 60 64.329 5.467 4.883 458 2HB MET 60 2HB MET 60 63.008 4.356 4.522 459 1HG MET 60 1HG MET 60 61.415 5.693 5.615 460 2HG MET 60 2HG MET 60 62.639 6.547 6.555 461 1HE MET 60 1HE MET 60 60.175 6.894 4.707 462 2HE MET 60 2HE MET 60 60.430 8.630 4.480 463 3HE MET 60 3HE MET 60 60.433 7.546 3.091 464 H ILE 61 H ILE 61 66.221 3.945 6.007 465 HA ILE 61 HA ILE 61 66.086 1.238 4.917 466 HB ILE 61 HB ILE 61 68.278 3.200 5.640 467 1HG1 ILE 61 1HG1 ILE 61 68.529 2.968 3.050 468 2HG1 ILE 61 2HG1 ILE 61 66.906 2.282 3.119 469 1HG2 ILE 61 1HG2 ILE 61 69.003 0.784 5.894 470 2HG2 ILE 61 2HG2 ILE 61 68.630 0.568 4.185 471 3HG2 ILE 61 3HG2 ILE 61 69.892 1.696 4.674 472 1HD1 ILE 61 1HD1 ILE 61 67.527 4.896 4.483 473 2HD1 ILE 61 2HD1 ILE 61 67.134 4.847 2.765 474 3HD1 ILE 61 3HD1 ILE 61 65.966 4.273 3.953 475 H ASP 62 H ASP 62 67.524 2.708 7.850 476 HA ASP 62 HA ASP 62 68.447 0.293 9.052 477 1HB ASP 62 1HB ASP 62 69.044 2.636 9.673 478 2HB ASP 62 2HB ASP 62 67.419 2.849 10.328 479 H GLU 63 H GLU 63 65.251 1.570 8.666 480 HA GLU 63 HA GLU 63 63.954 0.351 10.924 481 1HB GLU 63 1HB GLU 63 63.347 1.953 8.669 482 2HB GLU 63 2HB GLU 63 62.299 0.538 8.560 483 1HG GLU 63 1HG GLU 63 61.506 0.908 10.844 484 2HG GLU 63 2HG GLU 63 62.611 2.272 11.029 485 H VAL 64 H VAL 64 65.233 -0.952 7.990 486 HA VAL 64 HA VAL 64 64.041 -3.608 8.666 487 HB VAL 64 HB VAL 64 63.702 -3.859 6.147 488 1HG1 VAL 64 1HG1 VAL 64 61.959 -3.144 7.957 489 2HG1 VAL 64 2HG1 VAL 64 62.094 -1.549 7.217 490 3HG1 VAL 64 3HG1 VAL 64 61.551 -2.925 6.255 491 1HG2 VAL 64 1HG2 VAL 64 65.240 -1.661 5.930 492 2HG2 VAL 64 2HG2 VAL 64 64.023 -2.075 4.723 493 3HG2 VAL 64 3HG2 VAL 64 63.658 -0.882 5.970 494 H ASP 65 H ASP 65 66.730 -2.555 9.130 495 HA ASP 65 HA ASP 65 68.349 -4.035 7.096 496 1HB ASP 65 1HB ASP 65 68.546 -1.505 8.197 497 2HB ASP 65 2HB ASP 65 69.714 -2.427 9.144 498 H GLU 66 H GLU 66 68.117 -6.174 7.942 499 HA GLU 66 HA GLU 66 68.772 -6.666 10.788 500 1HB GLU 66 1HB GLU 66 66.884 -7.751 9.497 501 2HB GLU 66 2HB GLU 66 68.106 -8.593 8.544 502 1HG GLU 66 1HG GLU 66 68.978 -9.691 10.520 503 2HG GLU 66 2HG GLU 66 67.922 -8.740 11.565 504 H ASP 67 H ASP 67 70.855 -5.702 8.823 505 HA ASP 67 HA ASP 67 72.832 -7.880 9.329 506 1HB ASP 67 1HB ASP 67 73.631 -7.407 6.927 507 2HB ASP 67 2HB ASP 67 72.118 -8.299 7.090 508 H GLY 68 H GLY 68 72.373 -4.560 8.065 509 1HA GLY 68 1HA GLY 68 73.484 -2.692 9.261 510 2HA GLY 68 2HA GLY 68 74.836 -3.782 9.570 511 H SER 69 H SER 69 73.554 -4.217 6.464 512 HA SER 69 HA SER 69 75.969 -3.308 5.167 513 1HB SER 69 1HB SER 69 74.585 -3.822 3.120 514 2HB SER 69 2HB SER 69 74.620 -5.129 4.301 515 HG SER 69 HG SER 69 72.499 -4.745 3.647 516 H GLY 70 H GLY 70 73.270 -1.607 6.326 517 1HA GLY 70 1HA GLY 70 72.691 0.662 6.122 518 2HA GLY 70 2HA GLY 70 74.185 0.892 5.213 519 H THR 71 H THR 71 72.188 -1.595 3.986 520 HA THR 71 HA THR 71 70.908 0.261 2.018 521 HB THR 71 HB THR 71 71.657 -1.671 0.361 522 HG1 THR 71 HG1 THR 71 73.033 -2.992 1.198 523 1HG2 THR 71 1HG2 THR 71 72.364 0.762 0.389 524 2HG2 THR 71 2HG2 THR 71 73.717 0.281 1.411 525 3HG2 THR 71 3HG2 THR 71 73.581 -0.356 -0.227 526 H VAL 72 H VAL 72 69.209 -0.956 0.715 527 HA VAL 72 HA VAL 72 67.994 -3.161 2.352 528 HB VAL 72 HB VAL 72 66.781 -0.786 0.912 529 1HG1 VAL 72 1HG1 VAL 72 65.500 -3.273 2.059 530 2HG1 VAL 72 2HG1 VAL 72 64.606 -1.764 1.868 531 3HG1 VAL 72 3HG1 VAL 72 65.279 -2.575 0.454 532 1HG2 VAL 72 1HG2 VAL 72 67.789 -0.910 3.416 533 2HG2 VAL 72 2HG2 VAL 72 66.390 0.082 3.004 534 3HG2 VAL 72 3HG2 VAL 72 66.162 -1.508 3.733 535 H ASP 73 H ASP 73 66.749 -4.728 1.108 536 HA ASP 73 HA ASP 73 67.356 -4.742 -1.831 537 1HB ASP 73 1HB ASP 73 68.293 -6.441 0.255 538 2HB ASP 73 2HB ASP 73 67.161 -7.387 -0.711 539 H PHE 74 H PHE 74 65.860 -6.487 -2.913 540 HA PHE 74 HA PHE 74 63.133 -5.754 -2.559 541 1HB PHE 74 1HB PHE 74 64.045 -6.679 -4.622 542 2HB PHE 74 2HB PHE 74 64.460 -8.185 -3.801 543 HD1 PHE 74 HD1 PHE 74 61.639 -6.043 -4.921 544 HD2 PHE 74 HD2 PHE 74 62.816 -9.879 -3.388 545 HE1 PHE 74 HE1 PHE 74 59.369 -6.927 -5.389 546 HE2 PHE 74 HE2 PHE 74 60.548 -10.763 -3.855 547 HZ PHE 74 HZ PHE 74 58.823 -9.287 -4.855 548 H ASP 75 H ASP 75 65.094 -7.887 -0.723 549 HA ASP 75 HA ASP 75 62.868 -9.590 0.200 550 1HB ASP 75 1HB ASP 75 65.052 -10.571 -0.098 551 2HB ASP 75 2HB ASP 75 65.810 -9.311 0.877 552 H GLU 76 H GLU 76 65.201 -7.382 1.810 553 HA GLU 76 HA GLU 76 63.749 -7.256 4.287 554 1HB GLU 76 1HB GLU 76 65.740 -5.361 2.993 555 2HB GLU 76 2HB GLU 76 65.311 -5.369 4.704 556 1HG GLU 76 1HG GLU 76 66.161 -7.646 4.946 557 2HG GLU 76 2HG GLU 76 66.507 -7.727 3.219 558 H PHE 77 H PHE 77 63.484 -5.486 1.264 559 HA PHE 77 HA PHE 77 62.138 -3.143 2.114 560 1HB PHE 77 1HB PHE 77 62.938 -3.455 -0.146 561 2HB PHE 77 2HB PHE 77 61.914 -4.874 -0.366 562 HD1 PHE 77 HD1 PHE 77 59.367 -4.559 -0.194 563 HD2 PHE 77 HD2 PHE 77 62.125 -1.298 -0.652 564 HE1 PHE 77 HE1 PHE 77 57.519 -3.107 -0.986 565 HE2 PHE 77 HE2 PHE 77 60.277 0.154 -1.445 566 HZ PHE 77 HZ PHE 77 57.974 -0.749 -1.611 567 H LEU 78 H LEU 78 60.842 -6.391 1.400 568 HA LEU 78 HA LEU 78 58.080 -5.866 1.538 569 1HB LEU 78 1HB LEU 78 59.929 -8.139 2.028 570 2HB LEU 78 2HB LEU 78 58.304 -8.314 2.693 571 HG LEU 78 HG LEU 78 58.801 -7.464 -0.166 572 1HD1 LEU 78 1HD1 LEU 78 58.898 -10.145 1.100 573 2HD1 LEU 78 2HD1 LEU 78 57.924 -10.026 -0.367 574 3HD1 LEU 78 3HD1 LEU 78 59.631 -9.582 -0.402 575 1HD2 LEU 78 1HD2 LEU 78 56.552 -7.236 1.272 576 2HD2 LEU 78 2HD2 LEU 78 56.516 -7.681 -0.434 577 3HD2 LEU 78 3HD2 LEU 78 56.384 -8.928 0.805 578 H VAL 79 H VAL 79 60.341 -6.573 4.219 579 HA VAL 79 HA VAL 79 58.497 -6.602 6.362 580 HB VAL 79 HB VAL 79 61.370 -5.683 6.087 581 1HG1 VAL 79 1HG1 VAL 79 59.584 -5.853 8.505 582 2HG1 VAL 79 2HG1 VAL 79 61.317 -6.143 8.657 583 3HG1 VAL 79 3HG1 VAL 79 60.733 -4.589 8.063 584 1HG2 VAL 79 1HG2 VAL 79 60.566 -8.131 5.723 585 2HG2 VAL 79 2HG2 VAL 79 61.929 -7.859 6.809 586 3HG2 VAL 79 3HG2 VAL 79 60.319 -8.149 7.469 587 H MET 80 H MET 80 60.342 -3.812 5.071 588 HA MET 80 HA MET 80 59.419 -1.771 6.730 589 1HB MET 80 1HB MET 80 61.000 -1.899 4.608 590 2HB MET 80 2HB MET 80 59.548 -1.364 3.759 591 1HG MET 80 1HG MET 80 59.511 0.688 4.827 592 2HG MET 80 2HG MET 80 60.323 0.071 6.266 593 1HE MET 80 1HE MET 80 60.394 0.525 2.672 594 2HE MET 80 2HE MET 80 61.888 1.381 2.265 595 3HE MET 80 3HE MET 80 61.876 -0.378 2.368 596 H MET 81 H MET 81 57.615 -3.577 4.350 597 HA MET 81 HA MET 81 55.397 -1.619 4.283 598 1HB MET 81 1HB MET 81 55.900 -4.338 3.031 599 2HB MET 81 2HB MET 81 54.456 -3.370 2.726 600 1HG MET 81 1HG MET 81 57.232 -2.255 2.313 601 2HG MET 81 2HG MET 81 56.381 -3.131 1.039 602 1HE MET 81 1HE MET 81 57.455 -0.468 0.582 603 2HE MET 81 2HE MET 81 56.409 0.952 0.735 604 3HE MET 81 3HE MET 81 57.220 0.292 2.154 605 H VAL 82 H VAL 82 56.369 -4.342 6.138 606 HA VAL 82 HA VAL 82 53.687 -5.270 6.857 607 HB VAL 82 HB VAL 82 56.374 -5.732 8.190 608 1HG1 VAL 82 1HG1 VAL 82 53.783 -6.554 8.874 609 2HG1 VAL 82 2HG1 VAL 82 54.499 -7.951 8.072 610 3HG1 VAL 82 3HG1 VAL 82 55.294 -7.238 9.476 611 1HG2 VAL 82 1HG2 VAL 82 56.164 -6.169 5.628 612 2HG2 VAL 82 2HG2 VAL 82 56.810 -7.456 6.647 613 3HG2 VAL 82 3HG2 VAL 82 55.133 -7.519 6.103 614 H ARG 83 H ARG 83 56.244 -3.340 8.439 615 HA ARG 83 HA ARG 83 55.193 -2.915 10.969 616 1HB ARG 83 1HB ARG 83 56.574 -1.096 8.987 617 2HB ARG 83 2HB ARG 83 56.235 -0.575 10.639 618 1HG ARG 83 1HG ARG 83 57.490 -2.501 11.517 619 2HG ARG 83 2HG ARG 83 57.816 -3.046 9.872 620 1HD ARG 83 1HD ARG 83 59.765 -1.841 10.258 621 2HD ARG 83 2HD ARG 83 58.739 -0.522 9.655 622 HE ARG 83 HE ARG 83 58.792 0.369 11.834 623 1HH1 ARG 83 1HH2 ARG 83 61.128 -1.264 12.651 624 2HH1 ARG 83 2HH2 ARG 83 60.523 -2.136 14.019 625 1HH2 ARG 83 1HH1 ARG 83 57.193 -1.521 13.273 626 2HH2 ARG 83 2HH1 ARG 83 58.295 -2.283 14.370 627 H CYS 84 H CYS 84 54.015 -1.587 7.917 628 HA CYS 84 HA CYS 84 52.119 0.228 9.273 629 1HB CYS 84 1HB CYS 84 52.378 -0.499 6.341 630 2HB CYS 84 2HB CYS 84 51.670 0.966 7.022 631 HG CYS 84 HG CYS 84 53.941 1.950 7.302 632 H MET 85 H MET 85 52.191 -3.046 8.330 633 HA MET 85 HA MET 85 49.290 -3.237 7.773 634 1HB MET 85 1HB MET 85 51.690 -4.687 7.207 635 2HB MET 85 2HB MET 85 50.607 -5.763 8.092 636 1HG MET 85 1HG MET 85 48.833 -5.412 6.503 637 2HG MET 85 2HG MET 85 49.728 -4.118 5.706 638 1HE MET 85 1HE MET 85 51.538 -4.150 4.545 639 2HE MET 85 2HE MET 85 52.401 -5.477 3.772 640 3HE MET 85 3HE MET 85 50.826 -4.962 3.154 641 H LYS 86 H LYS 86 48.160 -2.899 9.709 642 HA LYS 86 HA LYS 86 48.367 -5.010 11.745 643 1HB LYS 86 1HB LYS 86 50.105 -3.045 12.094 644 2HB LYS 86 2HB LYS 86 48.697 -2.187 12.716 645 1HG LYS 86 1HG LYS 86 48.286 -3.955 14.346 646 2HG LYS 86 2HG LYS 86 49.612 -4.910 13.682 647 1HD LYS 86 1HD LYS 86 50.846 -2.504 14.186 648 2HD LYS 86 2HD LYS 86 49.697 -2.615 15.520 649 1HE LYS 86 1HE LYS 86 50.613 -5.130 15.619 650 2HE LYS 86 2HE LYS 86 52.042 -4.362 14.900 651 1HZ LYS 86 1HZ LYS 86 51.388 -2.548 16.720 652 2HZ LYS 86 2HZ LYS 86 50.838 -3.944 17.518 653 3HZ LYS 86 3HZ LYS 86 52.462 -3.825 17.042 654 H ASP 87 H ASP 87 47.171 -1.629 11.738 655 HA ASP 87 HA ASP 87 44.404 -2.359 11.328 656 1HB ASP 87 1HB ASP 87 45.286 -3.193 13.716 657 2HB ASP 87 2HB ASP 87 44.904 -1.527 14.154 658 H ASP 88 H ASP 88 42.947 -0.433 11.977 659 HA ASP 88 HA ASP 88 43.678 1.949 10.771 660 1HB ASP 88 1HB ASP 88 41.891 2.937 12.237 661 2HB ASP 88 2HB ASP 88 41.419 1.401 11.509 662 H SER 89 H SER 89 45.692 2.869 11.218 663 HA SER 89 HA SER 89 47.447 3.825 12.507 664 1HB SER 89 1HB SER 89 46.601 5.737 13.614 665 2HB SER 89 2HB SER 89 45.348 5.362 12.434 666 HG SER 89 HG SER 89 44.537 5.721 14.573 667 1H ARG 1 1H ARG 1 59.819 7.903 6.298 668 2H ARG 1 2H ARG 1 58.928 8.605 7.563 669 3H ARG 1 3H ARG 1 59.981 7.315 7.884 670 HA ARG 1 HA ARG 1 58.530 5.745 7.167 671 1HB ARG 1 1HB ARG 1 56.750 8.159 7.650 672 2HB ARG 1 2HB ARG 1 56.277 6.470 7.838 673 1HG ARG 1 1HG ARG 1 57.787 6.155 9.671 674 2HG ARG 1 2HG ARG 1 58.580 7.701 9.366 675 1HD ARG 1 1HD ARG 1 56.955 7.776 11.295 676 2HD ARG 1 2HD ARG 1 56.538 8.909 9.994 677 HE ARG 1 HE ARG 1 55.327 6.342 9.504 678 1HH1 ARG 1 1HH1 ARG 1 54.823 9.535 10.465 679 2HH1 ARG 1 2HH1 ARG 1 53.258 9.259 11.155 680 1HH2 ARG 1 1HH2 ARG 1 53.425 5.812 10.817 681 2HH2 ARG 1 2HH2 ARG 1 52.465 7.152 11.353 682 H ILE 2 H ILE 2 57.271 4.923 5.430 683 HA ILE 2 HA ILE 2 57.087 6.731 3.047 684 HB ILE 2 HB ILE 2 57.387 3.733 3.397 685 1HG1 ILE 2 1HG1 ILE 2 59.203 5.778 2.083 686 2HG1 ILE 2 2HG1 ILE 2 59.396 5.218 3.744 687 1HG2 ILE 2 1HG2 ILE 2 56.376 5.303 1.153 688 2HG2 ILE 2 2HG2 ILE 2 57.814 4.378 0.717 689 3HG2 ILE 2 3HG2 ILE 2 56.401 3.552 1.373 690 1HD1 ILE 2 1HD1 ILE 2 59.285 3.308 1.403 691 2HD1 ILE 2 2HD1 ILE 2 60.799 4.002 1.981 692 3HD1 ILE 2 3HD1 ILE 2 59.834 2.980 3.046 693 H SER 3 H SER 3 54.952 7.486 3.944 694 HA SER 3 HA SER 3 52.708 5.956 4.555 695 1HB SER 3 1HB SER 3 53.351 8.609 3.835 696 2HB SER 3 2HB SER 3 52.036 8.135 2.763 697 HG SER 3 HG SER 3 50.825 7.574 4.568 698 H ALA 4 H ALA 4 52.048 4.160 3.412 699 HA ALA 4 HA ALA 4 52.522 3.622 0.666 700 1HB ALA 4 1HB ALA 4 51.009 2.570 2.923 701 2HB ALA 4 2HB ALA 4 50.146 2.327 1.404 702 3HB ALA 4 3HB ALA 4 51.781 1.696 1.600 703 H ASP 5 H ASP 5 50.272 5.776 2.147 704 HA ASP 5 HA ASP 5 48.324 5.762 -0.048 705 1HB ASP 5 1HB ASP 5 48.607 6.745 2.640 706 2HB ASP 5 2HB ASP 5 48.149 8.087 1.590 707 H ALA 6 H ALA 6 50.647 8.184 1.226 708 HA ALA 6 HA ALA 6 50.358 9.931 -1.074 709 1HB ALA 6 1HB ALA 6 52.427 9.716 1.137 710 2HB ALA 6 2HB ALA 6 52.275 11.086 0.037 711 3HB ALA 6 3HB ALA 6 50.972 10.712 1.166 712 H MET 7 H MET 7 52.827 7.552 -0.058 713 HA MET 7 HA MET 7 54.740 8.013 -2.086 714 1HB MET 7 1HB MET 7 54.647 6.449 0.021 715 2HB MET 7 2HB MET 7 54.021 5.256 -1.119 716 1HG MET 7 1HG MET 7 56.156 6.291 -2.506 717 2HG MET 7 2HG MET 7 56.746 6.338 -0.845 718 1HE MET 7 1HE MET 7 57.837 4.820 -3.281 719 2HE MET 7 2HE MET 7 57.573 3.072 -3.345 720 3HE MET 7 3HE MET 7 56.346 4.174 -3.965 721 H MET 8 H MET 8 52.089 5.589 -2.125 722 HA MET 8 HA MET 8 52.523 4.786 -4.846 723 1HB MET 8 1HB MET 8 50.155 4.663 -2.960 724 2HB MET 8 2HB MET 8 50.200 3.833 -4.517 725 1HG MET 8 1HG MET 8 52.162 3.436 -2.240 726 2HG MET 8 2HG MET 8 50.898 2.305 -2.724 727 1HE MET 8 1HE MET 8 54.426 2.984 -2.774 728 2HE MET 8 2HE MET 8 55.022 2.919 -4.431 729 3HE MET 8 3HE MET 8 54.041 4.290 -3.892 730 H GLN 9 H GLN 9 50.515 7.346 -3.416 731 HA GLN 9 HA GLN 9 49.199 7.927 -5.984 732 1HB GLN 9 1HB GLN 9 48.574 8.228 -3.340 733 2HB GLN 9 2HB GLN 9 49.086 9.865 -3.754 734 1HG GLN 9 1HG GLN 9 47.544 9.782 -5.732 735 2HG GLN 9 2HG GLN 9 46.950 8.227 -5.147 736 1HE2 GLN 9 2HE2 GLN 9 45.929 8.242 -2.919 737 2HE2 GLN 9 1HE2 GLN 9 45.173 9.662 -2.379 738 H ALA 10 H ALA 10 51.836 9.263 -4.030 739 HA ALA 10 HA ALA 10 52.138 11.624 -5.761 740 1HB ALA 10 1HB ALA 10 52.594 11.188 -3.177 741 2HB ALA 10 2HB ALA 10 54.178 10.688 -3.775 742 3HB ALA 10 3HB ALA 10 53.589 12.320 -4.089 743 H LEU 11 H LEU 11 54.236 8.842 -4.910 744 HA LEU 11 HA LEU 11 56.247 9.338 -6.860 745 1HB LEU 11 1HB LEU 11 55.711 7.560 -4.809 746 2HB LEU 11 2HB LEU 11 55.688 6.529 -6.232 747 HG LEU 11 HG LEU 11 57.921 8.450 -5.522 748 1HD1 LEU 11 1HD1 LEU 11 57.418 5.573 -4.941 749 2HD1 LEU 11 2HD1 LEU 11 59.052 6.007 -5.441 750 3HD1 LEU 11 3HD1 LEU 11 58.336 6.762 -4.017 751 1HD2 LEU 11 1HD2 LEU 11 57.321 7.745 -8.002 752 2HD2 LEU 11 2HD2 LEU 11 58.998 7.757 -7.460 753 3HD2 LEU 11 3HD2 LEU 11 58.110 6.238 -7.536 754 H LEU 12 H LEU 12 53.994 6.571 -7.045 755 HA LEU 12 HA LEU 12 54.068 6.809 -10.015 756 1HB LEU 12 1HB LEU 12 53.190 4.618 -8.104 757 2HB LEU 12 2HB LEU 12 53.183 4.468 -9.859 758 HG LEU 12 HG LEU 12 55.245 3.517 -9.328 759 1HD1 LEU 12 1HD1 LEU 12 55.599 5.380 -10.913 760 2HD1 LEU 12 2HD1 LEU 12 55.886 6.473 -9.559 761 3HD1 LEU 12 3HD1 LEU 12 57.007 5.151 -9.876 762 1HD2 LEU 12 1HD2 LEU 12 54.870 4.924 -6.893 763 2HD2 LEU 12 2HD2 LEU 12 56.084 3.695 -7.247 764 3HD2 LEU 12 3HD2 LEU 12 56.451 5.399 -7.512 765 H GLY 13 H GLY 13 51.466 5.294 -8.191 766 1HA GLY 13 1HA GLY 13 49.208 5.959 -7.910 767 2HA GLY 13 2HA GLY 13 49.612 7.520 -8.625 768 H ALA 14 H ALA 14 48.351 4.368 -9.241 769 HA ALA 14 HA ALA 14 48.642 4.237 -12.085 770 1HB ALA 14 1HB ALA 14 47.890 2.499 -10.312 771 2HB ALA 14 2HB ALA 14 46.286 3.210 -10.501 772 3HB ALA 14 3HB ALA 14 47.086 2.460 -11.882 773 H ARG 15 H ARG 15 46.052 5.601 -10.032 774 HA ARG 15 HA ARG 15 45.280 7.416 -12.237 775 1HB ARG 15 1HB ARG 15 43.884 4.944 -11.476 776 2HB ARG 15 2HB ARG 15 42.833 6.360 -11.492 777 1HG ARG 15 1HG ARG 15 44.701 6.101 -13.785 778 2HG ARG 15 2HG ARG 15 43.390 4.923 -13.715 779 1HD ARG 15 1HD ARG 15 42.886 7.893 -13.387 780 2HD ARG 15 2HD ARG 15 42.853 7.093 -14.971 781 HE ARG 15 HE ARG 15 41.045 5.640 -14.117 782 1HH1 ARG 15 1HH1 ARG 15 41.058 8.824 -13.219 783 2HH1 ARG 15 2HH1 ARG 15 40.004 8.652 -11.856 784 1HH2 ARG 15 1HH2 ARG 15 40.076 5.185 -11.902 785 2HH2 ARG 15 2HH2 ARG 15 39.447 6.593 -11.111 786 H ALA 16 H ALA 16 46.338 8.460 -10.058 787 HA ALA 16 HA ALA 16 44.056 9.709 -8.651 788 1HB ALA 16 1HB ALA 16 45.124 7.457 -7.589 789 2HB ALA 16 2HB ALA 16 46.209 8.657 -6.889 790 3HB ALA 16 3HB ALA 16 44.474 8.763 -6.597 791 H LYS 17 H LYS 17 44.586 11.847 -8.930 792 HA LYS 17 HA LYS 17 47.023 12.941 -7.802 793 1HB LYS 17 1HB LYS 17 47.909 13.708 -10.056 794 2HB LYS 17 2HB LYS 17 48.015 11.969 -9.778 795 1HG LYS 17 1HG LYS 17 46.661 11.538 -11.524 796 2HG LYS 17 2HG LYS 17 45.446 12.669 -10.927 797 1HD LYS 17 1HD LYS 17 47.784 14.055 -11.979 798 2HD LYS 17 2HD LYS 17 47.035 13.017 -13.193 799 1HE LYS 17 1HE LYS 17 45.050 14.498 -11.623 800 2HE LYS 17 2HE LYS 17 46.152 15.560 -12.523 801 1HZ LYS 17 1HZ LYS 17 45.811 13.892 -14.415 802 2HZ LYS 17 2HZ LYS 17 44.437 13.387 -13.552 803 3HZ LYS 17 3HZ LYS 17 44.559 14.992 -14.098 Start of MODEL 26 1 1H MET 1 1H MET 1 64.987 -11.774 17.499 2 2H MET 1 2H MET 1 64.590 -13.068 18.526 3 3H MET 1 3H MET 1 65.915 -13.193 17.470 4 HA MET 1 HA MET 1 64.557 -13.365 15.576 5 1HB MET 1 1HB MET 1 64.450 -15.066 17.792 6 2HB MET 1 2HB MET 1 62.766 -14.904 17.292 7 1HG MET 1 1HG MET 1 63.831 -15.250 14.871 8 2HG MET 1 2HG MET 1 65.080 -16.073 15.807 9 1HE MET 1 1HE MET 1 65.171 -18.169 15.882 10 2HE MET 1 2HE MET 1 64.439 -18.335 17.485 11 3HE MET 1 3HE MET 1 63.939 -19.394 16.168 12 H ASP 2 H ASP 2 62.106 -13.623 14.912 13 HA ASP 2 HA ASP 2 60.242 -11.890 16.402 14 1HB ASP 2 1HB ASP 2 60.040 -10.324 14.468 15 2HB ASP 2 2HB ASP 2 61.657 -10.304 15.173 16 H ASP 3 H ASP 3 58.951 -13.864 16.361 17 HA ASP 3 HA ASP 3 58.173 -15.013 13.763 18 1HB ASP 3 1HB ASP 3 58.401 -15.876 16.393 19 2HB ASP 3 2HB ASP 3 56.656 -15.769 16.155 20 H ILE 4 H ILE 4 57.372 -12.544 13.380 21 HA ILE 4 HA ILE 4 54.420 -12.615 13.807 22 HB ILE 4 HB ILE 4 56.405 -10.476 14.589 23 1HG1 ILE 4 1HG1 ILE 4 54.210 -10.814 16.382 24 2HG1 ILE 4 2HG1 ILE 4 54.791 -12.421 15.944 25 1HG2 ILE 4 1HG2 ILE 4 53.722 -10.132 13.467 26 2HG2 ILE 4 2HG2 ILE 4 53.880 -9.426 15.075 27 3HG2 ILE 4 3HG2 ILE 4 54.969 -8.925 13.782 28 1HD1 ILE 4 1HD1 ILE 4 56.932 -10.469 16.487 29 2HD1 ILE 4 2HD1 ILE 4 55.920 -10.841 17.883 30 3HD1 ILE 4 3HD1 ILE 4 56.764 -12.137 17.035 31 H TYR 5 H TYR 5 57.056 -10.686 12.319 32 HA TYR 5 HA TYR 5 55.431 -9.687 10.156 33 1HB TYR 5 1HB TYR 5 58.427 -10.032 10.511 34 2HB TYR 5 2HB TYR 5 57.675 -9.043 9.259 35 HD1 TYR 5 HD1 TYR 5 56.189 -7.105 9.944 36 HD2 TYR 5 HD2 TYR 5 58.685 -9.217 12.730 37 HE1 TYR 5 HE1 TYR 5 56.000 -5.220 11.543 38 HE2 TYR 5 HE2 TYR 5 58.496 -7.332 14.329 39 HH TYR 5 HH TYR 5 56.903 -5.468 14.790 40 H LYS 6 H LYS 6 57.918 -12.274 10.267 41 HA LYS 6 HA LYS 6 57.878 -13.173 7.641 42 1HB LYS 6 1HB LYS 6 58.554 -14.150 10.258 43 2HB LYS 6 2HB LYS 6 57.793 -15.454 9.346 44 1HG LYS 6 1HG LYS 6 59.358 -15.109 7.493 45 2HG LYS 6 2HG LYS 6 60.093 -13.750 8.344 46 1HD LYS 6 1HD LYS 6 59.976 -16.551 9.489 47 2HD LYS 6 2HD LYS 6 61.349 -15.941 8.564 48 1HE LYS 6 1HE LYS 6 62.148 -14.886 10.401 49 2HE LYS 6 2HE LYS 6 60.614 -14.016 10.597 50 1HZ LYS 6 1HZ LYS 6 59.755 -16.293 11.402 51 2HZ LYS 6 2HZ LYS 6 61.391 -16.652 11.667 52 3HZ LYS 6 3HZ LYS 6 60.670 -15.344 12.474 53 H ALA 7 H ALA 7 55.340 -13.486 10.048 54 HA ALA 7 HA ALA 7 53.814 -15.511 8.603 55 1HB ALA 7 1HB ALA 7 53.879 -14.759 11.133 56 2HB ALA 7 2HB ALA 7 52.674 -13.582 10.608 57 3HB ALA 7 3HB ALA 7 52.359 -15.309 10.427 58 H ALA 8 H ALA 8 54.150 -12.056 8.434 59 HA ALA 8 HA ALA 8 51.566 -11.584 7.121 60 1HB ALA 8 1HB ALA 8 53.326 -10.095 8.569 61 2HB ALA 8 2HB ALA 8 53.792 -9.629 6.933 62 3HB ALA 8 3HB ALA 8 52.133 -9.390 7.479 63 H VAL 9 H VAL 9 55.002 -11.670 6.129 64 HA VAL 9 HA VAL 9 54.555 -11.104 3.350 65 HB VAL 9 HB VAL 9 56.749 -12.771 4.613 66 1HG1 VAL 9 1HG1 VAL 9 56.664 -12.564 2.109 67 2HG1 VAL 9 2HG1 VAL 9 56.811 -10.816 2.297 68 3HG1 VAL 9 3HG1 VAL 9 58.120 -11.874 2.826 69 1HG2 VAL 9 1HG2 VAL 9 55.930 -10.166 5.338 70 2HG2 VAL 9 2HG2 VAL 9 57.431 -10.975 5.786 71 3HG2 VAL 9 3HG2 VAL 9 57.372 -9.962 4.344 72 H GLU 10 H GLU 10 54.830 -14.160 5.159 73 HA GLU 10 HA GLU 10 54.608 -15.899 2.873 74 1HB GLU 10 1HB GLU 10 54.422 -16.055 5.849 75 2HB GLU 10 2HB GLU 10 53.786 -17.417 4.927 76 1HG GLU 10 1HG GLU 10 55.853 -18.105 4.293 77 2HG GLU 10 2HG GLU 10 56.395 -16.458 3.965 78 H GLN 11 H GLN 11 52.320 -13.834 4.250 79 HA GLN 11 HA GLN 11 50.047 -15.588 3.387 80 1HB GLN 11 1HB GLN 11 50.498 -13.539 5.518 81 2HB GLN 11 2HB GLN 11 48.869 -13.695 4.860 82 1HG GLN 11 1HG GLN 11 49.065 -16.197 5.276 83 2HG GLN 11 2HG GLN 11 50.536 -15.845 6.186 84 1HE2 GLN 11 2HE2 GLN 11 49.977 -15.965 8.371 85 2HE2 GLN 11 1HE2 GLN 11 48.610 -15.232 9.063 86 H LEU 12 H LEU 12 51.891 -13.405 1.962 87 HA LEU 12 HA LEU 12 49.886 -11.430 1.103 88 1HB LEU 12 1HB LEU 12 52.711 -12.059 0.182 89 2HB LEU 12 2HB LEU 12 51.797 -10.615 -0.253 90 HG LEU 12 HG LEU 12 52.593 -11.429 2.558 91 1HD1 LEU 12 1HD1 LEU 12 53.543 -9.203 0.728 92 2HD1 LEU 12 2HD1 LEU 12 53.992 -9.369 2.425 93 3HD1 LEU 12 3HD1 LEU 12 54.488 -10.594 1.259 94 1HD2 LEU 12 1HD2 LEU 12 50.489 -9.745 1.607 95 2HD2 LEU 12 2HD2 LEU 12 51.008 -9.996 3.273 96 3HD2 LEU 12 3HD2 LEU 12 51.731 -8.709 2.309 97 H THR 13 H THR 13 49.366 -11.178 -1.238 98 HA THR 13 HA THR 13 49.167 -13.844 -2.592 99 HB THR 13 HB THR 13 47.250 -12.622 -3.776 100 HG1 THR 13 HG1 THR 13 46.754 -10.659 -3.121 101 1HG2 THR 13 1HG2 THR 13 47.278 -14.064 -1.503 102 2HG2 THR 13 2HG2 THR 13 46.673 -12.537 -0.862 103 3HG2 THR 13 3HG2 THR 13 45.802 -13.356 -2.159 104 H GLU 14 H GLU 14 49.714 -13.958 -4.832 105 HA GLU 14 HA GLU 14 51.919 -12.647 -5.837 106 1HB GLU 14 1HB GLU 14 49.992 -14.422 -6.742 107 2HB GLU 14 2HB GLU 14 49.835 -13.068 -7.862 108 1HG GLU 14 1HG GLU 14 52.429 -13.166 -7.998 109 2HG GLU 14 2HG GLU 14 52.252 -14.781 -7.311 110 H GLU 15 H GLU 15 48.563 -11.668 -6.672 111 HA GLU 15 HA GLU 15 49.069 -9.326 -8.082 112 1HB GLU 15 1HB GLU 15 46.875 -10.514 -7.411 113 2HB GLU 15 2HB GLU 15 46.944 -9.543 -5.939 114 1HG GLU 15 1HG GLU 15 45.668 -8.183 -7.349 115 2HG GLU 15 2HG GLU 15 47.291 -7.541 -7.599 116 H GLN 16 H GLN 16 48.644 -9.534 -4.521 117 HA GLN 16 HA GLN 16 49.211 -6.823 -3.914 118 1HB GLN 16 1HB GLN 16 48.269 -8.469 -2.353 119 2HB GLN 16 2HB GLN 16 49.781 -9.378 -2.375 120 1HG GLN 16 1HG GLN 16 50.974 -7.585 -1.315 121 2HG GLN 16 2HG GLN 16 49.616 -6.476 -1.524 122 1HE2 GLN 16 1HE2 GLN 16 50.018 -6.367 0.989 123 2HE2 GLN 16 2HE2 GLN 16 49.150 -7.481 1.932 124 H LYS 17 H LYS 17 51.461 -9.621 -3.929 125 HA LYS 17 HA LYS 17 53.834 -8.204 -3.309 126 1HB LYS 17 1HB LYS 17 54.075 -10.504 -3.255 127 2HB LYS 17 2HB LYS 17 53.030 -10.746 -4.653 128 1HG LYS 17 1HG LYS 17 55.704 -9.420 -5.012 129 2HG LYS 17 2HG LYS 17 55.610 -11.178 -4.885 130 1HD LYS 17 1HD LYS 17 53.548 -10.200 -6.658 131 2HD LYS 17 2HD LYS 17 55.128 -9.615 -7.184 132 1HE LYS 17 1HE LYS 17 55.608 -12.279 -6.489 133 2HE LYS 17 2HE LYS 17 54.041 -12.320 -7.321 134 1HZ LYS 17 1HZ LYS 17 56.312 -10.725 -8.346 135 2HZ LYS 17 2HZ LYS 17 56.111 -12.353 -8.778 136 3HZ LYS 17 3HZ LYS 17 54.911 -11.216 -9.172 137 H ASN 18 H ASN 18 51.991 -8.423 -6.285 138 HA ASN 18 HA ASN 18 54.057 -7.447 -8.072 139 1HB ASN 18 1HB ASN 18 51.311 -8.327 -8.101 140 2HB ASN 18 2HB ASN 18 51.451 -6.825 -9.017 141 1HD2 ASN 18 2HD2 ASN 18 50.919 -9.288 -10.353 142 2HD2 ASN 18 1HD2 ASN 18 52.275 -9.702 -11.287 143 H GLU 19 H GLU 19 51.646 -5.948 -5.986 144 HA GLU 19 HA GLU 19 51.853 -3.287 -7.146 145 1HB GLU 19 1HB GLU 19 49.858 -3.916 -5.985 146 2HB GLU 19 2HB GLU 19 50.769 -4.476 -4.583 147 1HG GLU 19 1HG GLU 19 51.137 -2.341 -3.791 148 2HG GLU 19 2HG GLU 19 51.111 -1.626 -5.404 149 H PHE 20 H PHE 20 53.537 -5.068 -4.613 150 HA PHE 20 HA PHE 20 54.849 -2.695 -3.501 151 1HB PHE 20 1HB PHE 20 55.233 -5.690 -3.198 152 2HB PHE 20 2HB PHE 20 56.093 -4.488 -2.235 153 HD1 PHE 20 HD1 PHE 20 53.912 -2.447 -1.918 154 HD2 PHE 20 HD2 PHE 20 53.846 -6.729 -1.570 155 HE1 PHE 20 HE1 PHE 20 51.974 -2.292 -0.381 156 HE2 PHE 20 HE2 PHE 20 51.908 -6.572 -0.031 157 HZ PHE 20 HZ PHE 20 50.972 -4.354 0.564 158 H LYS 21 H LYS 21 55.812 -5.419 -5.609 159 HA LYS 21 HA LYS 21 58.548 -4.873 -5.891 160 1HB LYS 21 1HB LYS 21 58.386 -6.375 -7.650 161 2HB LYS 21 2HB LYS 21 56.827 -6.666 -6.885 162 1HG LYS 21 1HG LYS 21 56.166 -6.349 -9.091 163 2HG LYS 21 2HG LYS 21 56.040 -4.698 -8.479 164 1HD LYS 21 1HD LYS 21 57.380 -4.190 -10.250 165 2HD LYS 21 2HD LYS 21 58.673 -4.781 -9.205 166 1HE LYS 21 1HE LYS 21 58.999 -6.027 -11.187 167 2HE LYS 21 2HE LYS 21 58.026 -7.136 -10.200 168 1HZ LYS 21 1HZ LYS 21 56.093 -5.707 -11.246 169 2HZ LYS 21 2HZ LYS 21 57.229 -5.505 -12.495 170 3HZ LYS 21 3HZ LYS 21 56.721 -7.064 -12.047 171 H ALA 22 H ALA 22 55.833 -3.024 -7.045 172 HA ALA 22 HA ALA 22 57.132 -1.594 -9.179 173 1HB ALA 22 1HB ALA 22 54.665 -1.526 -7.584 174 2HB ALA 22 2HB ALA 22 55.188 0.070 -8.122 175 3HB ALA 22 3HB ALA 22 54.894 -1.207 -9.303 176 H ALA 23 H ALA 23 56.263 -0.375 -5.915 177 HA ALA 23 HA ALA 23 57.895 1.950 -6.011 178 1HB ALA 23 1HB ALA 23 56.033 1.352 -4.406 179 2HB ALA 23 2HB ALA 23 57.162 0.268 -3.594 180 3HB ALA 23 3HB ALA 23 57.472 2.004 -3.621 181 H PHE 24 H PHE 24 58.616 -1.360 -4.929 182 HA PHE 24 HA PHE 24 61.134 -0.970 -3.721 183 1HB PHE 24 1HB PHE 24 59.785 -3.064 -3.813 184 2HB PHE 24 2HB PHE 24 60.195 -3.230 -5.519 185 HD1 PHE 24 HD1 PHE 24 62.025 -2.481 -2.319 186 HD2 PHE 24 HD2 PHE 24 61.901 -4.737 -5.972 187 HE1 PHE 24 HE1 PHE 24 64.147 -3.604 -1.698 188 HE2 PHE 24 HE2 PHE 24 64.024 -5.858 -5.352 189 HZ PHE 24 HZ PHE 24 65.147 -5.292 -3.215 190 H ASP 25 H ASP 25 60.446 -1.684 -7.173 191 HA ASP 25 HA ASP 25 63.106 -1.575 -8.135 192 1HB ASP 25 1HB ASP 25 60.469 -1.775 -9.116 193 2HB ASP 25 2HB ASP 25 61.180 -0.400 -9.962 194 H ILE 26 H ILE 26 60.694 1.057 -7.854 195 HA ILE 26 HA ILE 26 62.232 3.181 -8.905 196 HB ILE 26 HB ILE 26 60.329 3.261 -6.554 197 1HG1 ILE 26 1HG1 ILE 26 59.950 2.362 -9.311 198 2HG1 ILE 26 2HG1 ILE 26 58.858 2.232 -7.938 199 1HG2 ILE 26 1HG2 ILE 26 61.094 5.233 -8.726 200 2HG2 ILE 26 2HG2 ILE 26 59.730 5.466 -7.634 201 3HG2 ILE 26 3HG2 ILE 26 61.370 5.394 -6.991 202 1HD1 ILE 26 1HD1 ILE 26 59.240 4.756 -9.561 203 2HD1 ILE 26 2HD1 ILE 26 57.945 3.591 -9.838 204 3HD1 ILE 26 3HD1 ILE 26 58.027 4.471 -8.312 205 H PHE 27 H PHE 27 62.010 2.025 -5.526 206 HA PHE 27 HA PHE 27 63.712 3.915 -4.304 207 1HB PHE 27 1HB PHE 27 63.002 1.023 -3.820 208 2HB PHE 27 2HB PHE 27 64.120 1.857 -2.742 209 HD1 PHE 27 HD1 PHE 27 61.729 4.055 -4.282 210 HD2 PHE 27 HD2 PHE 27 62.284 1.340 -0.998 211 HE1 PHE 27 HE1 PHE 27 59.817 5.097 -3.097 212 HE2 PHE 27 HE2 PHE 27 60.373 2.384 0.186 213 HZ PHE 27 HZ PHE 27 59.139 4.262 -0.862 214 H VAL 28 H VAL 28 64.509 1.408 -6.552 215 HA VAL 28 HA VAL 28 67.426 1.786 -5.943 216 HB VAL 28 HB VAL 28 67.659 -0.549 -6.734 217 1HG1 VAL 28 1HG1 VAL 28 66.309 0.325 -4.363 218 2HG1 VAL 28 2HG1 VAL 28 65.603 -1.207 -4.877 219 3HG1 VAL 28 3HG1 VAL 28 67.336 -1.092 -4.576 220 1HG2 VAL 28 1HG2 VAL 28 65.611 -0.335 -8.259 221 2HG2 VAL 28 2HG2 VAL 28 65.772 -1.859 -7.385 222 3HG2 VAL 28 3HG2 VAL 28 64.637 -0.633 -6.817 223 H LEU 29 H LEU 29 65.456 3.147 -7.884 224 HA LEU 29 HA LEU 29 65.876 2.347 -10.556 225 1HB LEU 29 1HB LEU 29 64.903 4.596 -9.046 226 2HB LEU 29 2HB LEU 29 65.861 5.185 -10.405 227 HG LEU 29 HG LEU 29 63.804 3.020 -10.799 228 1HD1 LEU 29 1HD1 LEU 29 63.211 5.602 -9.851 229 2HD1 LEU 29 2HD1 LEU 29 62.885 5.656 -11.584 230 3HD1 LEU 29 3HD1 LEU 29 62.082 4.456 -10.571 231 1HD2 LEU 29 1HD2 LEU 29 65.215 5.068 -12.519 232 2HD2 LEU 29 2HD2 LEU 29 65.239 3.311 -12.676 233 3HD2 LEU 29 3HD2 LEU 29 63.778 4.213 -13.080 234 H GLY 30 H GLY 30 68.180 1.627 -10.560 235 1HA GLY 30 1HA GLY 30 70.154 2.443 -11.838 236 2HA GLY 30 2HA GLY 30 70.030 3.949 -10.929 237 H ALA 31 H ALA 31 69.327 1.920 -8.582 238 HA ALA 31 HA ALA 31 71.710 2.104 -7.133 239 1HB ALA 31 1HB ALA 31 69.185 0.738 -7.025 240 2HB ALA 31 2HB ALA 31 70.452 -0.379 -6.516 241 3HB ALA 31 3HB ALA 31 70.252 1.166 -5.688 242 H GLU 32 H GLU 32 73.287 0.338 -6.596 243 HA GLU 32 HA GLU 32 74.421 -0.834 -8.999 244 1HB GLU 32 1HB GLU 32 74.999 -1.081 -6.031 245 2HB GLU 32 2HB GLU 32 76.033 -1.761 -7.289 246 1HG GLU 32 1HG GLU 32 76.763 0.307 -8.006 247 2HG GLU 32 2HG GLU 32 75.268 1.115 -7.532 248 H ASP 33 H ASP 33 73.656 -2.548 -5.955 249 HA ASP 33 HA ASP 33 72.938 -4.949 -7.555 250 1HB ASP 33 1HB ASP 33 74.566 -4.750 -5.512 251 2HB ASP 33 2HB ASP 33 73.085 -4.760 -4.554 252 H GLY 34 H GLY 34 70.977 -3.038 -7.838 253 1HA GLY 34 1HA GLY 34 68.713 -2.550 -7.410 254 2HA GLY 34 2HA GLY 34 68.593 -4.292 -7.150 255 H CYS 35 H CYS 35 70.449 -1.981 -5.198 256 HA CYS 35 HA CYS 35 68.732 -2.744 -2.859 257 1HB CYS 35 1HB CYS 35 70.752 -2.440 -1.544 258 2HB CYS 35 2HB CYS 35 71.157 -3.448 -2.934 259 HG CYS 35 HG CYS 35 71.991 -1.100 -4.076 260 H ILE 36 H ILE 36 68.907 -0.907 -1.092 261 HA ILE 36 HA ILE 36 68.491 1.722 -2.477 262 HB ILE 36 HB ILE 36 67.280 0.582 0.063 263 1HG1 ILE 36 1HG1 ILE 36 65.854 1.174 -2.532 264 2HG1 ILE 36 2HG1 ILE 36 66.628 -0.387 -2.257 265 1HG2 ILE 36 1HG2 ILE 36 67.513 3.263 -0.882 266 2HG2 ILE 36 2HG2 ILE 36 65.829 2.776 -1.075 267 3HG2 ILE 36 3HG2 ILE 36 66.597 2.679 0.509 268 1HD1 ILE 36 1HD1 ILE 36 64.759 0.747 -0.190 269 2HD1 ILE 36 2HD1 ILE 36 64.111 -0.088 -1.601 270 3HD1 ILE 36 3HD1 ILE 36 65.188 -0.936 -0.493 271 H SER 37 H SER 37 69.281 3.604 -1.373 272 HA SER 37 HA SER 37 70.889 3.289 1.088 273 1HB SER 37 1HB SER 37 71.929 3.197 -1.615 274 2HB SER 37 2HB SER 37 72.612 4.552 -0.726 275 HG SER 37 HG SER 37 72.829 1.806 -0.283 276 H THR 38 H THR 38 68.573 4.815 0.340 277 HA THR 38 HA THR 38 67.734 6.981 0.788 278 HB THR 38 HB THR 38 69.086 8.433 2.001 279 HG1 THR 38 HG1 THR 38 71.519 7.542 1.014 280 1HG2 THR 38 1HG2 THR 38 69.299 5.855 2.687 281 2HG2 THR 38 2HG2 THR 38 71.001 6.181 2.356 282 3HG2 THR 38 3HG2 THR 38 70.140 7.132 3.567 283 H LYS 39 H LYS 39 70.850 7.247 -0.993 284 HA LYS 39 HA LYS 39 70.214 9.419 -2.647 285 1HB LYS 39 1HB LYS 39 72.260 7.637 -2.380 286 2HB LYS 39 2HB LYS 39 71.581 7.112 -3.922 287 1HG LYS 39 1HG LYS 39 71.997 9.167 -4.958 288 2HG LYS 39 2HG LYS 39 72.059 10.038 -3.426 289 1HD LYS 39 1HD LYS 39 74.315 9.763 -4.439 290 2HD LYS 39 2HD LYS 39 74.189 8.970 -2.868 291 1HE LYS 39 1HE LYS 39 74.317 6.850 -3.778 292 2HE LYS 39 2HE LYS 39 73.508 7.337 -5.282 293 1HZ LYS 39 1HZ LYS 39 75.490 8.701 -5.791 294 2HZ LYS 39 2HZ LYS 39 76.270 8.038 -4.439 295 3HZ LYS 39 3HZ LYS 39 75.828 7.037 -5.739 296 H GLU 40 H GLU 40 69.205 6.034 -2.921 297 HA GLU 40 HA GLU 40 67.772 6.573 -5.465 298 1HB GLU 40 1HB GLU 40 67.921 4.059 -3.770 299 2HB GLU 40 2HB GLU 40 67.478 4.168 -5.473 300 1HG GLU 40 1HG GLU 40 70.194 4.784 -4.276 301 2HG GLU 40 2HG GLU 40 69.785 3.410 -5.307 302 H LEU 41 H LEU 41 67.204 6.188 -2.035 303 HA LEU 41 HA LEU 41 64.307 5.802 -2.275 304 1HB LEU 41 1HB LEU 41 66.004 5.030 -0.450 305 2HB LEU 41 2HB LEU 41 65.841 6.672 0.174 306 HG LEU 41 HG LEU 41 64.236 5.230 1.307 307 1HD1 LEU 41 1HD1 LEU 41 63.624 7.602 0.499 308 2HD1 LEU 41 2HD1 LEU 41 62.663 6.796 -0.741 309 3HD1 LEU 41 3HD1 LEU 41 62.291 6.543 0.964 310 1HD2 LEU 41 1HD2 LEU 41 64.171 3.831 -1.053 311 2HD2 LEU 41 2HD2 LEU 41 63.003 3.631 0.252 312 3HD2 LEU 41 3HD2 LEU 41 62.630 4.686 -1.112 313 H GLY 42 H GLY 42 66.472 8.461 -1.242 314 1HA GLY 42 1HA GLY 42 64.496 10.375 -0.620 315 2HA GLY 42 2HA GLY 42 66.108 10.779 -1.208 316 H LYS 43 H LYS 43 65.625 9.224 -3.724 317 HA LYS 43 HA LYS 43 64.894 11.261 -5.488 318 1HB LYS 43 1HB LYS 43 65.293 8.394 -5.483 319 2HB LYS 43 2HB LYS 43 63.987 8.821 -6.590 320 1HG LYS 43 1HG LYS 43 65.382 9.928 -8.019 321 2HG LYS 43 2HG LYS 43 66.366 10.580 -6.708 322 1HD LYS 43 1HD LYS 43 67.714 9.005 -7.969 323 2HD LYS 43 2HD LYS 43 67.356 8.299 -6.392 324 1HE LYS 43 1HE LYS 43 66.808 6.500 -7.766 325 2HE LYS 43 2HE LYS 43 65.240 7.330 -7.732 326 1HZ LYS 43 1HZ LYS 43 67.094 8.425 -9.646 327 2HZ LYS 43 2HZ LYS 43 66.671 6.816 -9.976 328 3HZ LYS 43 3HZ LYS 43 65.461 8.000 -9.841 329 H VAL 44 H VAL 44 62.763 8.938 -3.829 330 HA VAL 44 HA VAL 44 60.352 9.831 -5.216 331 HB VAL 44 HB VAL 44 61.006 8.102 -2.825 332 1HG1 VAL 44 1HG1 VAL 44 58.309 8.951 -3.896 333 2HG1 VAL 44 2HG1 VAL 44 58.525 7.456 -2.987 334 3HG1 VAL 44 3HG1 VAL 44 58.888 9.007 -2.233 335 1HG2 VAL 44 1HG2 VAL 44 60.307 7.718 -5.701 336 2HG2 VAL 44 2HG2 VAL 44 61.435 6.816 -4.691 337 3HG2 VAL 44 3HG2 VAL 44 59.702 6.522 -4.557 338 H MET 45 H MET 45 61.841 10.435 -2.036 339 HA MET 45 HA MET 45 59.906 11.806 -0.640 340 1HB MET 45 1HB MET 45 62.854 12.076 -1.019 341 2HB MET 45 2HB MET 45 62.038 13.360 -0.128 342 1HG MET 45 1HG MET 45 62.658 11.768 1.527 343 2HG MET 45 2HG MET 45 60.938 11.490 1.248 344 1HE MET 45 1HE MET 45 59.927 10.081 0.053 345 2HE MET 45 2HE MET 45 60.596 9.090 -1.250 346 3HE MET 45 3HE MET 45 60.290 8.381 0.333 347 H ARG 46 H ARG 46 62.058 13.356 -3.057 348 HA ARG 46 HA ARG 46 60.762 15.905 -3.018 349 1HB ARG 46 1HB ARG 46 62.586 14.358 -4.820 350 2HB ARG 46 2HB ARG 46 61.857 15.837 -5.449 351 1HG ARG 46 1HG ARG 46 62.647 16.933 -3.245 352 2HG ARG 46 2HG ARG 46 63.679 15.513 -3.067 353 1HD ARG 46 1HD ARG 46 64.478 16.021 -5.480 354 2HD ARG 46 2HD ARG 46 63.755 17.624 -5.230 355 HE ARG 46 HE ARG 46 65.652 16.547 -3.195 356 1HH1 ARG 46 1HH2 ARG 46 66.142 18.047 -6.050 357 2HH1 ARG 46 2HH2 ARG 46 66.742 19.544 -5.415 358 1HH2 ARG 46 1HH1 ARG 46 65.816 18.835 -2.149 359 2HH2 ARG 46 2HH1 ARG 46 66.554 19.990 -3.207 360 H MET 47 H MET 47 59.974 12.893 -4.630 361 HA MET 47 HA MET 47 58.064 14.152 -6.484 362 1HB MET 47 1HB MET 47 58.961 11.347 -5.807 363 2HB MET 47 2HB MET 47 57.649 11.650 -6.949 364 1HG MET 47 1HG MET 47 59.090 12.913 -8.399 365 2HG MET 47 2HG MET 47 60.378 12.937 -7.195 366 1HE MET 47 1HE MET 47 57.845 10.717 -8.611 367 2HE MET 47 2HE MET 47 58.724 10.560 -10.130 368 3HE MET 47 3HE MET 47 58.613 9.185 -9.021 369 H LEU 48 H LEU 48 57.991 12.403 -3.398 370 HA LEU 48 HA LEU 48 55.168 11.876 -3.327 371 1HB LEU 48 1HB LEU 48 57.260 12.335 -1.177 372 2HB LEU 48 2HB LEU 48 55.636 11.734 -0.846 373 HG LEU 48 HG LEU 48 57.716 10.405 -2.607 374 1HD1 LEU 48 1HD1 LEU 48 58.092 10.188 -0.165 375 2HD1 LEU 48 2HD1 LEU 48 56.452 9.570 0.022 376 3HD1 LEU 48 3HD1 LEU 48 57.643 8.643 -0.889 377 1HD2 LEU 48 1HD2 LEU 48 54.862 9.624 -1.932 378 2HD2 LEU 48 2HD2 LEU 48 55.481 10.050 -3.528 379 3HD2 LEU 48 3HD2 LEU 48 56.019 8.567 -2.739 380 H GLY 49 H GLY 49 56.896 14.805 -3.229 381 1HA GLY 49 1HA GLY 49 55.722 16.938 -3.283 382 2HA GLY 49 2HA GLY 49 54.458 16.226 -2.278 383 H GLN 50 H GLN 50 57.788 15.593 -1.492 384 HA GLN 50 HA GLN 50 57.851 17.751 0.548 385 1HB GLN 50 1HB GLN 50 57.294 14.879 0.981 386 2HB GLN 50 2HB GLN 50 58.507 15.568 2.062 387 1HG GLN 50 1HG GLN 50 56.832 16.444 3.282 388 2HG GLN 50 2HG GLN 50 56.449 17.486 1.911 389 1HE2 GLN 50 2HE2 GLN 50 55.055 15.236 3.942 390 2HE2 GLN 50 1HE2 GLN 50 53.815 14.679 2.926 391 H ASN 51 H ASN 51 59.998 16.945 2.019 392 HA ASN 51 HA ASN 51 62.160 15.785 0.478 393 1HB ASN 51 1HB ASN 51 63.362 18.023 0.224 394 2HB ASN 51 2HB ASN 51 61.955 17.803 -0.819 395 1HD2 ASN 51 2HD2 ASN 51 60.195 19.245 -0.552 396 2HD2 ASN 51 1HD2 ASN 51 60.145 20.457 0.635 397 HA PRO 52 HA PRO 52 62.824 16.110 5.004 398 1HB PRO 52 1HB PRO 52 63.818 13.573 5.274 399 2HB PRO 52 2HB PRO 52 62.082 13.940 5.299 400 1HG PRO 52 1HG PRO 52 63.755 12.857 3.091 401 2HG PRO 52 2HG PRO 52 62.096 12.448 3.556 402 1HD PRO 52 1HD PRO 52 62.722 14.078 1.456 403 2HD PRO 52 2HD PRO 52 61.197 14.180 2.363 404 H THR 53 H THR 53 65.099 14.795 5.990 405 HA THR 53 HA THR 53 67.269 16.225 4.517 406 HB THR 53 HB THR 53 68.408 15.778 6.806 407 HG1 THR 53 HG1 THR 53 66.928 14.194 7.479 408 1HG2 THR 53 1HG2 THR 53 66.317 17.674 6.024 409 2HG2 THR 53 2HG2 THR 53 66.467 17.494 7.771 410 3HG2 THR 53 3HG2 THR 53 67.867 17.973 6.811 411 HA PRO 54 HA PRO 54 69.096 12.396 3.350 412 1HB PRO 54 1HB PRO 54 71.723 13.159 3.222 413 2HB PRO 54 2HB PRO 54 70.519 13.635 2.007 414 1HG PRO 54 1HG PRO 54 71.616 15.195 4.294 415 2HG PRO 54 2HG PRO 54 71.221 15.725 2.651 416 1HD PRO 54 1HD PRO 54 69.617 16.190 4.803 417 2HD PRO 54 2HD PRO 54 69.005 16.030 3.143 418 H GLU 55 H GLU 55 69.862 14.032 6.281 419 HA GLU 55 HA GLU 55 71.704 12.024 7.347 420 1HB GLU 55 1HB GLU 55 70.483 14.596 8.080 421 2HB GLU 55 2HB GLU 55 70.688 13.506 9.452 422 1HG GLU 55 1HG GLU 55 72.899 14.111 7.473 423 2HG GLU 55 2HG GLU 55 72.680 15.003 8.980 424 H GLU 56 H GLU 56 68.242 12.769 7.607 425 HA GLU 56 HA GLU 56 67.766 10.604 9.546 426 1HB GLU 56 1HB GLU 56 66.602 12.960 9.146 427 2HB GLU 56 2HB GLU 56 65.633 12.038 7.994 428 1HG GLU 56 1HG GLU 56 65.978 10.681 10.576 429 2HG GLU 56 2HG GLU 56 65.124 12.219 10.701 430 H LEU 57 H LEU 57 67.779 11.052 6.099 431 HA LEU 57 HA LEU 57 65.962 9.192 5.104 432 1HB LEU 57 1HB LEU 57 68.448 10.468 4.329 433 2HB LEU 57 2HB LEU 57 68.376 8.827 3.687 434 HG LEU 57 HG LEU 57 66.344 11.038 3.298 435 1HD1 LEU 57 1HD1 LEU 57 68.625 10.294 1.859 436 2HD1 LEU 57 2HD1 LEU 57 67.288 9.564 0.970 437 3HD1 LEU 57 3HD1 LEU 57 67.303 11.302 1.270 438 1HD2 LEU 57 1HD2 LEU 57 66.038 8.129 3.275 439 2HD2 LEU 57 2HD2 LEU 57 64.800 9.384 3.202 440 3HD2 LEU 57 3HD2 LEU 57 65.609 8.857 1.726 441 H GLN 58 H GLN 58 69.315 8.489 6.153 442 HA GLN 58 HA GLN 58 69.547 5.779 5.745 443 1HB GLN 58 1HB GLN 58 70.726 7.767 7.326 444 2HB GLN 58 2HB GLN 58 70.295 6.498 8.472 445 1HG GLN 58 1HG GLN 58 71.701 5.863 5.877 446 2HG GLN 58 2HG GLN 58 72.600 6.318 7.326 447 1HE2 GLN 58 2HE2 GLN 58 70.910 3.717 5.764 448 2HE2 GLN 58 1HE2 GLN 58 71.045 2.592 7.029 449 H GLU 59 H GLU 59 67.855 7.265 8.536 450 HA GLU 59 HA GLU 59 67.081 5.017 9.972 451 1HB GLU 59 1HB GLU 59 66.302 7.748 9.648 452 2HB GLU 59 2HB GLU 59 64.834 6.775 9.725 453 1HG GLU 59 1HG GLU 59 65.774 5.653 11.775 454 2HG GLU 59 2HG GLU 59 67.098 6.818 11.736 455 H MET 60 H MET 60 65.265 6.422 7.208 456 HA MET 60 HA MET 60 63.140 4.647 7.001 457 1HB MET 60 1HB MET 60 64.785 6.308 5.205 458 2HB MET 60 2HB MET 60 63.942 4.995 4.383 459 1HG MET 60 1HG MET 60 62.088 6.275 4.419 460 2HG MET 60 2HG MET 60 62.056 6.058 6.169 461 1HE MET 60 1HE MET 60 62.813 8.227 3.171 462 2HE MET 60 2HE MET 60 61.269 8.552 3.955 463 3HE MET 60 3HE MET 60 62.498 9.813 3.889 464 H ILE 61 H ILE 61 66.458 4.140 5.778 465 HA ILE 61 HA ILE 61 65.851 1.421 4.853 466 HB ILE 61 HB ILE 61 68.257 3.236 5.019 467 1HG1 ILE 61 1HG1 ILE 61 68.065 2.561 2.457 468 2HG1 ILE 61 2HG1 ILE 61 66.405 2.181 2.916 469 1HG2 ILE 61 1HG2 ILE 61 68.187 0.296 4.726 470 2HG2 ILE 61 2HG2 ILE 61 69.117 1.142 3.490 471 3HG2 ILE 61 3HG2 ILE 61 69.521 1.350 5.195 472 1HD1 ILE 61 1HD1 ILE 61 67.558 4.793 3.811 473 2HD1 ILE 61 2HD1 ILE 61 67.065 4.629 2.125 474 3HD1 ILE 61 3HD1 ILE 61 65.889 4.383 3.415 475 H ASP 62 H ASP 62 67.612 2.933 7.559 476 HA ASP 62 HA ASP 62 68.543 0.413 8.675 477 1HB ASP 62 1HB ASP 62 69.766 2.421 9.112 478 2HB ASP 62 2HB ASP 62 68.312 3.275 9.631 479 H GLU 63 H GLU 63 65.474 1.664 8.442 480 HA GLU 63 HA GLU 63 64.499 1.093 11.141 481 1HB GLU 63 1HB GLU 63 63.531 2.118 8.552 482 2HB GLU 63 2HB GLU 63 62.324 1.206 9.459 483 1HG GLU 63 1HG GLU 63 62.784 2.611 11.452 484 2HG GLU 63 2HG GLU 63 63.941 3.549 10.506 485 H VAL 64 H VAL 64 64.474 -0.566 7.989 486 HA VAL 64 HA VAL 64 63.253 -2.960 9.321 487 HB VAL 64 HB VAL 64 62.653 -3.561 6.970 488 1HG1 VAL 64 1HG1 VAL 64 61.368 -1.871 8.580 489 2HG1 VAL 64 2HG1 VAL 64 61.772 -0.722 7.304 490 3HG1 VAL 64 3HG1 VAL 64 60.816 -2.156 6.929 491 1HG2 VAL 64 1HG2 VAL 64 64.658 -2.264 6.035 492 2HG2 VAL 64 2HG2 VAL 64 63.140 -2.087 5.155 493 3HG2 VAL 64 3HG2 VAL 64 63.682 -0.810 6.244 494 H ASP 65 H ASP 65 66.224 -1.761 8.392 495 HA ASP 65 HA ASP 65 67.426 -3.994 7.036 496 1HB ASP 65 1HB ASP 65 68.238 -1.594 7.261 497 2HB ASP 65 2HB ASP 65 68.728 -1.997 8.907 498 H GLU 66 H GLU 66 67.762 -6.003 7.892 499 HA GLU 66 HA GLU 66 68.073 -6.248 10.866 500 1HB GLU 66 1HB GLU 66 66.174 -7.310 9.232 501 2HB GLU 66 2HB GLU 66 67.381 -8.596 9.186 502 1HG GLU 66 1HG GLU 66 67.440 -8.334 11.770 503 2HG GLU 66 2HG GLU 66 65.906 -7.490 11.568 504 H ASP 67 H ASP 67 70.070 -5.919 8.440 505 HA ASP 67 HA ASP 67 71.821 -8.232 9.217 506 1HB ASP 67 1HB ASP 67 72.684 -8.046 6.875 507 2HB ASP 67 2HB ASP 67 70.961 -8.420 6.931 508 H GLY 68 H GLY 68 71.464 -4.811 8.950 509 1HA GLY 68 1HA GLY 68 72.903 -3.132 9.772 510 2HA GLY 68 2HA GLY 68 74.080 -4.385 10.168 511 H SER 69 H SER 69 72.594 -3.731 7.007 512 HA SER 69 HA SER 69 75.341 -3.440 5.878 513 1HB SER 69 1HB SER 69 74.419 -4.350 3.947 514 2HB SER 69 2HB SER 69 73.355 -5.062 5.157 515 HG SER 69 HG SER 69 71.771 -3.864 4.449 516 H GLY 70 H GLY 70 72.358 -1.701 6.435 517 1HA GLY 70 1HA GLY 70 72.194 0.698 6.409 518 2HA GLY 70 2HA GLY 70 73.642 0.761 5.403 519 H THR 71 H THR 71 71.960 -1.621 4.000 520 HA THR 71 HA THR 71 70.469 0.263 2.201 521 HB THR 71 HB THR 71 71.066 -1.453 0.444 522 HG1 THR 71 HG1 THR 71 72.962 -2.752 1.273 523 1HG2 THR 71 1HG2 THR 71 72.490 0.648 1.284 524 2HG2 THR 71 2HG2 THR 71 73.642 -0.622 1.694 525 3HG2 THR 71 3HG2 THR 71 73.089 -0.437 0.030 526 H VAL 72 H VAL 72 68.739 -1.024 0.909 527 HA VAL 72 HA VAL 72 67.381 -2.970 2.748 528 HB VAL 72 HB VAL 72 66.331 -0.748 0.971 529 1HG1 VAL 72 1HG1 VAL 72 64.996 -2.987 1.002 530 2HG1 VAL 72 2HG1 VAL 72 64.607 -2.549 2.665 531 3HG1 VAL 72 3HG1 VAL 72 64.126 -1.490 1.340 532 1HG2 VAL 72 1HG2 VAL 72 66.205 -1.293 3.953 533 2HG2 VAL 72 2HG2 VAL 72 67.143 -0.027 3.160 534 3HG2 VAL 72 3HG2 VAL 72 65.380 0.039 3.144 535 H ASP 73 H ASP 73 66.261 -4.710 1.698 536 HA ASP 73 HA ASP 73 66.877 -5.054 -1.217 537 1HB ASP 73 1HB ASP 73 67.174 -6.917 1.146 538 2HB ASP 73 2HB ASP 73 67.125 -7.522 -0.511 539 H PHE 74 H PHE 74 65.425 -6.913 -2.115 540 HA PHE 74 HA PHE 74 62.706 -6.235 -1.977 541 1HB PHE 74 1HB PHE 74 63.951 -7.689 -3.639 542 2HB PHE 74 2HB PHE 74 63.857 -8.999 -2.460 543 HD1 PHE 74 HD1 PHE 74 61.463 -6.365 -3.675 544 HD2 PHE 74 HD2 PHE 74 62.202 -10.541 -2.989 545 HE1 PHE 74 HE1 PHE 74 59.165 -6.899 -4.443 546 HE2 PHE 74 HE2 PHE 74 59.905 -11.074 -3.756 547 HZ PHE 74 HZ PHE 74 58.386 -9.253 -4.482 548 H ASP 75 H ASP 75 64.596 -8.047 0.306 549 HA ASP 75 HA ASP 75 62.278 -9.370 1.551 550 1HB ASP 75 1HB ASP 75 65.129 -9.082 2.540 551 2HB ASP 75 2HB ASP 75 63.972 -10.345 2.962 552 H GLU 76 H GLU 76 64.693 -6.930 2.605 553 HA GLU 76 HA GLU 76 63.312 -6.245 5.033 554 1HB GLU 76 1HB GLU 76 65.281 -4.704 3.309 555 2HB GLU 76 2HB GLU 76 64.903 -4.342 4.994 556 1HG GLU 76 1HG GLU 76 66.185 -6.047 5.772 557 2HG GLU 76 2HG GLU 76 65.647 -7.150 4.506 558 H PHE 77 H PHE 77 63.146 -5.000 1.716 559 HA PHE 77 HA PHE 77 61.685 -2.605 2.199 560 1HB PHE 77 1HB PHE 77 62.682 -3.093 0.059 561 2HB PHE 77 2HB PHE 77 61.755 -4.588 -0.094 562 HD1 PHE 77 HD1 PHE 77 61.233 -0.903 0.396 563 HD2 PHE 77 HD2 PHE 77 59.763 -4.561 -1.309 564 HE1 PHE 77 HE1 PHE 77 59.387 0.346 -0.691 565 HE2 PHE 77 HE2 PHE 77 57.917 -3.312 -2.396 566 HZ PHE 77 HZ PHE 77 57.728 -0.859 -2.088 567 H LEU 78 H LEU 78 60.496 -5.918 1.521 568 HA LEU 78 HA LEU 78 57.717 -5.374 1.547 569 1HB LEU 78 1HB LEU 78 59.502 -7.709 2.151 570 2HB LEU 78 2HB LEU 78 57.777 -7.856 2.488 571 HG LEU 78 HG LEU 78 58.816 -6.883 -0.178 572 1HD1 LEU 78 1HD1 LEU 78 59.391 -9.367 0.764 573 2HD1 LEU 78 2HD1 LEU 78 57.796 -9.655 0.068 574 3HD1 LEU 78 3HD1 LEU 78 59.097 -9.018 -0.940 575 1HD2 LEU 78 1HD2 LEU 78 56.398 -6.516 0.631 576 2HD2 LEU 78 2HD2 LEU 78 56.598 -7.305 -0.933 577 3HD2 LEU 78 3HD2 LEU 78 56.212 -8.264 0.495 578 H VAL 79 H VAL 79 59.895 -6.206 4.261 579 HA VAL 79 HA VAL 79 57.959 -6.292 6.333 580 HB VAL 79 HB VAL 79 60.806 -5.253 6.463 581 1HG1 VAL 79 1HG1 VAL 79 59.196 -5.180 8.497 582 2HG1 VAL 79 2HG1 VAL 79 59.356 -6.936 8.501 583 3HG1 VAL 79 3HG1 VAL 79 60.780 -5.919 8.726 584 1HG2 VAL 79 1HG2 VAL 79 59.804 -7.799 5.574 585 2HG2 VAL 79 2HG2 VAL 79 61.481 -7.276 5.741 586 3HG2 VAL 79 3HG2 VAL 79 60.647 -8.017 7.108 587 H MET 80 H MET 80 59.560 -3.545 4.779 588 HA MET 80 HA MET 80 58.903 -1.509 6.665 589 1HB MET 80 1HB MET 80 60.189 -1.764 4.222 590 2HB MET 80 2HB MET 80 58.796 -0.755 3.827 591 1HG MET 80 1HG MET 80 59.910 0.130 6.324 592 2HG MET 80 2HG MET 80 61.198 0.036 5.123 593 1HE MET 80 1HE MET 80 61.338 1.183 2.997 594 2HE MET 80 2HE MET 80 59.815 0.543 2.384 595 3HE MET 80 3HE MET 80 60.144 2.269 2.271 596 H MET 81 H MET 81 56.975 -3.128 4.211 597 HA MET 81 HA MET 81 54.772 -1.163 4.423 598 1HB MET 81 1HB MET 81 55.521 -3.543 2.776 599 2HB MET 81 2HB MET 81 53.807 -3.143 2.891 600 1HG MET 81 1HG MET 81 54.815 -2.006 0.961 601 2HG MET 81 2HG MET 81 54.309 -0.826 2.170 602 1HE MET 81 1HE MET 81 55.405 0.669 0.924 603 2HE MET 81 2HE MET 81 56.952 1.308 1.477 604 3HE MET 81 3HE MET 81 56.892 0.284 0.044 605 H VAL 82 H VAL 82 55.370 -4.604 5.189 606 HA VAL 82 HA VAL 82 52.916 -5.420 6.191 607 HB VAL 82 HB VAL 82 55.609 -5.872 7.516 608 1HG1 VAL 82 1HG1 VAL 82 53.544 -6.769 8.645 609 2HG1 VAL 82 2HG1 VAL 82 53.226 -7.717 7.192 610 3HG1 VAL 82 3HG1 VAL 82 54.681 -8.020 8.143 611 1HG2 VAL 82 1HG2 VAL 82 54.713 -6.439 4.821 612 2HG2 VAL 82 2HG2 VAL 82 56.294 -6.729 5.547 613 3HG2 VAL 82 3HG2 VAL 82 55.022 -7.943 5.689 614 H ARG 83 H ARG 83 55.353 -3.431 7.868 615 HA ARG 83 HA ARG 83 54.154 -3.279 10.423 616 1HB ARG 83 1HB ARG 83 55.945 -1.596 8.720 617 2HB ARG 83 2HB ARG 83 55.290 -0.862 10.185 618 1HG ARG 83 1HG ARG 83 56.202 -2.651 11.552 619 2HG ARG 83 2HG ARG 83 56.737 -3.525 10.116 620 1HD ARG 83 1HD ARG 83 58.648 -2.323 11.075 621 2HD ARG 83 2HD ARG 83 58.200 -1.544 9.545 622 HE ARG 83 HE ARG 83 56.665 -0.332 11.602 623 1HH1 ARG 83 1HH1 ARG 83 59.511 -0.755 12.790 624 2HH1 ARG 83 2HH1 ARG 83 60.207 0.797 12.464 625 1HH2 ARG 83 1HH2 ARG 83 57.736 1.727 10.217 626 2HH2 ARG 83 2HH2 ARG 83 59.199 2.205 11.011 627 H CYS 84 H CYS 84 53.433 -1.468 7.454 628 HA CYS 84 HA CYS 84 51.019 -0.338 8.835 629 1HB CYS 84 1HB CYS 84 51.425 1.666 7.370 630 2HB CYS 84 2HB CYS 84 52.728 1.371 8.520 631 HG CYS 84 HG CYS 84 52.965 1.173 5.481 632 H MET 85 H MET 85 51.432 -2.773 7.071 633 HA MET 85 HA MET 85 50.256 -2.135 4.480 634 1HB MET 85 1HB MET 85 50.433 -4.495 4.145 635 2HB MET 85 2HB MET 85 51.808 -4.065 5.163 636 1HG MET 85 1HG MET 85 51.075 -5.682 6.567 637 2HG MET 85 2HG MET 85 49.800 -4.545 7.009 638 1HE MET 85 1HE MET 85 50.828 -7.713 5.901 639 2HE MET 85 2HE MET 85 49.553 -8.486 4.951 640 3HE MET 85 3HE MET 85 50.662 -7.354 4.184 641 H LYS 86 H LYS 86 48.097 -2.653 3.809 642 HA LYS 86 HA LYS 86 46.138 -2.967 6.062 643 1HB LYS 86 1HB LYS 86 44.662 -1.567 4.682 644 2HB LYS 86 2HB LYS 86 46.208 -0.751 4.920 645 1HG LYS 86 1HG LYS 86 46.485 -2.397 2.621 646 2HG LYS 86 2HG LYS 86 44.962 -1.525 2.452 647 1HD LYS 86 1HD LYS 86 46.101 0.326 1.886 648 2HD LYS 86 2HD LYS 86 46.868 0.319 3.475 649 1HE LYS 86 1HE LYS 86 48.081 -1.700 1.786 650 2HE LYS 86 2HE LYS 86 48.144 -0.113 0.996 651 1HZ LYS 86 1HZ LYS 86 48.643 -0.086 3.849 652 2HZ LYS 86 2HZ LYS 86 49.832 -0.882 2.938 653 3HZ LYS 86 3HZ LYS 86 49.446 0.737 2.598 654 H ASP 87 H ASP 87 44.276 -4.315 5.599 655 HA ASP 87 HA ASP 87 43.979 -5.681 3.044 656 1HB ASP 87 1HB ASP 87 46.063 -6.577 4.466 657 2HB ASP 87 2HB ASP 87 44.795 -7.516 5.256 658 H ASP 88 H ASP 88 41.862 -4.591 3.913 659 HA ASP 88 HA ASP 88 40.442 -6.433 5.802 660 1HB ASP 88 1HB ASP 88 40.744 -3.644 5.665 661 2HB ASP 88 2HB ASP 88 39.094 -3.946 5.119 662 H SER 89 H SER 89 40.521 -5.233 2.534 663 HA SER 89 HA SER 89 37.829 -5.687 1.720 664 1HB SER 89 1HB SER 89 39.163 -4.549 0.187 665 2HB SER 89 2HB SER 89 40.545 -5.608 0.452 666 HG SER 89 HG SER 89 38.141 -6.192 -0.944 667 1H ARG 1 1H ARG 1 59.156 5.402 7.186 668 2H ARG 1 2H ARG 1 60.519 6.291 7.667 669 3H ARG 1 3H ARG 1 59.535 5.547 8.835 670 HA ARG 1 HA ARG 1 57.805 7.074 8.558 671 1HB ARG 1 1HB ARG 1 60.500 8.429 8.207 672 2HB ARG 1 2HB ARG 1 59.048 9.221 8.819 673 1HG ARG 1 1HG ARG 1 59.225 6.927 10.372 674 2HG ARG 1 2HG ARG 1 60.906 7.434 10.199 675 1HD ARG 1 1HD ARG 1 60.512 9.523 11.217 676 2HD ARG 1 2HD ARG 1 58.764 9.438 10.919 677 HE ARG 1 HE ARG 1 59.527 7.195 12.512 678 1HH1 ARG 1 1HH1 ARG 1 57.883 10.071 12.634 679 2HH1 ARG 1 2HH1 ARG 1 58.123 10.363 14.325 680 1HH2 ARG 1 1HH2 ARG 1 60.423 7.795 14.710 681 2HH2 ARG 1 2HH2 ARG 1 59.562 9.073 15.500 682 H ILE 2 H ILE 2 56.714 6.688 6.513 683 HA ILE 2 HA ILE 2 57.044 8.856 4.579 684 HB ILE 2 HB ILE 2 58.854 7.133 4.084 685 1HG1 ILE 2 1HG1 ILE 2 56.706 7.766 2.041 686 2HG1 ILE 2 2HG1 ILE 2 58.204 8.651 2.334 687 1HG2 ILE 2 1HG2 ILE 2 57.061 5.258 4.606 688 2HG2 ILE 2 2HG2 ILE 2 56.677 5.447 2.896 689 3HG2 ILE 2 3HG2 ILE 2 58.306 4.983 3.388 690 1HD1 ILE 2 1HD1 ILE 2 59.436 6.501 1.715 691 2HD1 ILE 2 2HD1 ILE 2 57.886 5.893 1.135 692 3HD1 ILE 2 3HD1 ILE 2 58.609 7.321 0.392 693 H SER 3 H SER 3 54.972 7.430 6.307 694 HA SER 3 HA SER 3 52.691 6.832 6.116 695 1HB SER 3 1HB SER 3 53.345 8.910 4.341 696 2HB SER 3 2HB SER 3 52.378 7.791 3.387 697 HG SER 3 HG SER 3 50.968 7.821 5.374 698 H ALA 4 H ALA 4 51.278 6.102 3.721 699 HA ALA 4 HA ALA 4 52.806 3.803 2.604 700 1HB ALA 4 1HB ALA 4 51.361 3.431 4.822 701 2HB ALA 4 2HB ALA 4 50.044 3.321 3.653 702 3HB ALA 4 3HB ALA 4 51.410 2.209 3.551 703 H ASP 5 H ASP 5 49.590 5.389 2.692 704 HA ASP 5 HA ASP 5 48.906 4.567 -0.011 705 1HB ASP 5 1HB ASP 5 47.586 5.455 2.211 706 2HB ASP 5 2HB ASP 5 47.588 6.916 1.221 707 H ALA 6 H ALA 6 49.947 7.664 1.459 708 HA ALA 6 HA ALA 6 49.903 9.272 -0.871 709 1HB ALA 6 1HB ALA 6 50.237 10.005 1.491 710 2HB ALA 6 2HB ALA 6 51.854 9.303 1.456 711 3HB ALA 6 3HB ALA 6 51.463 10.670 0.413 712 H MET 7 H MET 7 52.212 6.833 0.173 713 HA MET 7 HA MET 7 54.436 7.561 -1.465 714 1HB MET 7 1HB MET 7 53.973 5.755 0.448 715 2HB MET 7 2HB MET 7 53.721 4.701 -0.944 716 1HG MET 7 1HG MET 7 56.060 6.276 -1.429 717 2HG MET 7 2HG MET 7 56.199 5.560 0.177 718 1HE MET 7 1HE MET 7 57.580 5.476 -2.538 719 2HE MET 7 2HE MET 7 58.066 3.823 -2.900 720 3HE MET 7 3HE MET 7 56.699 4.552 -3.753 721 H MET 8 H MET 8 51.571 5.548 -2.122 722 HA MET 8 HA MET 8 52.465 4.874 -4.837 723 1HB MET 8 1HB MET 8 50.188 4.315 -2.993 724 2HB MET 8 2HB MET 8 49.874 4.133 -4.719 725 1HG MET 8 1HG MET 8 50.654 2.007 -3.748 726 2HG MET 8 2HG MET 8 51.823 2.626 -4.914 727 1HE MET 8 1HE MET 8 53.807 2.881 -4.758 728 2HE MET 8 2HE MET 8 54.246 4.235 -3.719 729 3HE MET 8 3HE MET 8 54.915 2.637 -3.401 730 H GLN 9 H GLN 9 50.337 7.237 -3.304 731 HA GLN 9 HA GLN 9 49.181 8.131 -5.860 732 1HB GLN 9 1HB GLN 9 48.798 8.474 -2.975 733 2HB GLN 9 2HB GLN 9 48.584 9.978 -3.871 734 1HG GLN 9 1HG GLN 9 47.235 8.253 -5.484 735 2HG GLN 9 2HG GLN 9 46.950 7.508 -3.909 736 1HE2 GLN 9 2HE2 GLN 9 46.635 9.588 -2.172 737 2HE2 GLN 9 1HE2 GLN 9 45.383 10.622 -2.661 738 H ALA 10 H ALA 10 51.234 9.639 -3.332 739 HA ALA 10 HA ALA 10 51.807 12.031 -4.793 740 1HB ALA 10 1HB ALA 10 52.118 11.315 -2.292 741 2HB ALA 10 2HB ALA 10 53.692 10.733 -2.836 742 3HB ALA 10 3HB ALA 10 53.277 12.439 -3.002 743 H LEU 11 H LEU 11 53.090 8.803 -5.059 744 HA LEU 11 HA LEU 11 55.309 9.832 -6.796 745 1HB LEU 11 1HB LEU 11 55.748 8.520 -4.642 746 2HB LEU 11 2HB LEU 11 55.071 7.122 -5.473 747 HG LEU 11 HG LEU 11 56.748 7.622 -7.348 748 1HD1 LEU 11 1HD1 LEU 11 57.415 9.686 -5.345 749 2HD1 LEU 11 2HD1 LEU 11 58.804 8.799 -5.971 750 3HD1 LEU 11 3HD1 LEU 11 57.732 9.657 -7.075 751 1HD2 LEU 11 1HD2 LEU 11 57.008 5.767 -5.718 752 2HD2 LEU 11 2HD2 LEU 11 58.567 6.468 -6.154 753 3HD2 LEU 11 3HD2 LEU 11 57.821 6.871 -4.609 754 H LEU 12 H LEU 12 53.185 6.948 -6.485 755 HA LEU 12 HA LEU 12 53.335 6.624 -9.448 756 1HB LEU 12 1HB LEU 12 52.418 4.828 -7.180 757 2HB LEU 12 2HB LEU 12 52.427 4.356 -8.878 758 HG LEU 12 HG LEU 12 54.469 3.514 -8.007 759 1HD1 LEU 12 1HD1 LEU 12 54.511 5.157 -10.090 760 2HD1 LEU 12 2HD1 LEU 12 55.486 6.148 -9.004 761 3HD1 LEU 12 3HD1 LEU 12 56.011 4.516 -9.418 762 1HD2 LEU 12 1HD2 LEU 12 54.163 5.396 -6.044 763 2HD2 LEU 12 2HD2 LEU 12 55.631 4.449 -6.282 764 3HD2 LEU 12 3HD2 LEU 12 55.510 6.074 -6.956 765 H GLY 13 H GLY 13 51.728 8.769 -8.678 766 1HA GLY 13 1HA GLY 13 49.044 7.748 -9.442 767 2HA GLY 13 2HA GLY 13 49.164 8.760 -8.000 768 H ALA 14 H ALA 14 51.456 9.537 -10.404 769 HA ALA 14 HA ALA 14 50.285 12.164 -10.827 770 1HB ALA 14 1HB ALA 14 52.754 10.737 -11.231 771 2HB ALA 14 2HB ALA 14 52.324 11.582 -12.719 772 3HB ALA 14 3HB ALA 14 52.488 12.480 -11.208 773 H ARG 15 H ARG 15 48.181 10.999 -11.678 774 HA ARG 15 HA ARG 15 48.440 10.431 -14.610 775 1HB ARG 15 1HB ARG 15 46.519 9.628 -12.422 776 2HB ARG 15 2HB ARG 15 46.083 9.451 -14.123 777 1HG ARG 15 1HG ARG 15 48.769 8.439 -13.495 778 2HG ARG 15 2HG ARG 15 47.478 7.584 -12.649 779 1HD ARG 15 1HD ARG 15 47.610 6.410 -14.692 780 2HD ARG 15 2HD ARG 15 46.315 7.580 -15.021 781 HE ARG 15 HE ARG 15 48.261 9.074 -15.893 782 1HH1 ARG 15 1HH1 ARG 15 50.057 6.552 -15.323 783 2HH1 ARG 15 2HH1 ARG 15 50.309 6.012 -16.950 784 1HH2 ARG 15 1HH2 ARG 15 47.786 7.986 -18.277 785 2HH2 ARG 15 2HH2 ARG 15 49.024 6.824 -18.622 786 H ALA 16 H ALA 16 45.906 11.731 -12.431 787 HA ALA 16 HA ALA 16 45.142 13.666 -14.563 788 1HB ALA 16 1HB ALA 16 43.736 11.992 -12.885 789 2HB ALA 16 2HB ALA 16 43.608 13.538 -12.048 790 3HB ALA 16 3HB ALA 16 43.045 13.387 -13.712 791 H LYS 17 H LYS 17 46.737 13.507 -11.482 792 HA LYS 17 HA LYS 17 46.289 16.020 -10.332 793 1HB LYS 17 1HB LYS 17 48.375 13.955 -10.395 794 2HB LYS 17 2HB LYS 17 49.011 15.561 -10.035 795 1HG LYS 17 1HG LYS 17 46.519 14.707 -8.627 796 2HG LYS 17 2HG LYS 17 48.044 13.988 -8.106 797 1HD LYS 17 1HD LYS 17 49.008 16.213 -7.762 798 2HD LYS 17 2HD LYS 17 47.527 16.966 -8.353 799 1HE LYS 17 1HE LYS 17 47.599 15.107 -5.953 800 2HE LYS 17 2HE LYS 17 47.675 16.874 -5.829 801 1HZ LYS 17 1HZ LYS 17 45.651 16.402 -7.605 802 2HZ LYS 17 2HZ LYS 17 45.429 15.201 -6.425 803 3HZ LYS 17 3HZ LYS 17 45.463 16.839 -5.977 Start of MODEL 27 1 1H MET 1 1H MET 1 61.496 -10.477 16.063 2 2H MET 1 2H MET 1 61.148 -10.817 17.691 3 3H MET 1 3H MET 1 62.471 -9.831 17.296 4 HA MET 1 HA MET 1 63.631 -11.674 16.291 5 1HB MET 1 1HB MET 1 62.600 -11.569 19.055 6 2HB MET 1 2HB MET 1 63.267 -13.134 18.593 7 1HG MET 1 1HG MET 1 65.294 -11.857 17.708 8 2HG MET 1 2HG MET 1 64.649 -10.444 18.544 9 1HE MET 1 1HE MET 1 66.929 -10.535 19.158 10 2HE MET 1 2HE MET 1 66.738 -10.308 20.894 11 3HE MET 1 3HE MET 1 67.729 -11.633 20.290 12 H ASP 2 H ASP 2 60.289 -12.041 16.422 13 HA ASP 2 HA ASP 2 60.487 -14.938 15.650 14 1HB ASP 2 1HB ASP 2 59.296 -14.077 17.840 15 2HB ASP 2 2HB ASP 2 58.002 -13.633 16.726 16 H ASP 3 H ASP 3 57.999 -15.289 14.563 17 HA ASP 3 HA ASP 3 58.203 -13.788 12.034 18 1HB ASP 3 1HB ASP 3 56.493 -15.440 11.338 19 2HB ASP 3 2HB ASP 3 57.852 -16.234 12.134 20 H ILE 4 H ILE 4 57.565 -11.735 13.399 21 HA ILE 4 HA ILE 4 54.614 -11.562 13.814 22 HB ILE 4 HB ILE 4 56.091 -10.859 15.635 23 1HG1 ILE 4 1HG1 ILE 4 55.446 -8.327 15.626 24 2HG1 ILE 4 2HG1 ILE 4 54.605 -8.716 14.125 25 1HG2 ILE 4 1HG2 ILE 4 57.487 -9.528 13.387 26 2HG2 ILE 4 2HG2 ILE 4 57.394 -8.591 14.878 27 3HG2 ILE 4 3HG2 ILE 4 58.141 -10.189 14.886 28 1HD1 ILE 4 1HD1 ILE 4 53.418 -10.567 15.348 29 2HD1 ILE 4 2HD1 ILE 4 54.153 -9.981 16.841 30 3HD1 ILE 4 3HD1 ILE 4 53.030 -8.955 15.951 31 H TYR 5 H TYR 5 57.217 -10.440 11.774 32 HA TYR 5 HA TYR 5 55.283 -8.701 10.273 33 1HB TYR 5 1HB TYR 5 58.282 -8.543 10.710 34 2HB TYR 5 2HB TYR 5 57.396 -7.483 9.612 35 HD1 TYR 5 HD1 TYR 5 55.293 -6.272 10.653 36 HD2 TYR 5 HD2 TYR 5 58.547 -7.893 12.944 37 HE1 TYR 5 HE1 TYR 5 54.686 -4.803 12.557 38 HE2 TYR 5 HE2 TYR 5 57.938 -6.424 14.847 39 HH TYR 5 HH TYR 5 55.382 -3.992 14.547 40 H LYS 6 H LYS 6 58.098 -10.875 9.984 41 HA LYS 6 HA LYS 6 58.132 -11.083 7.134 42 1HB LYS 6 1HB LYS 6 59.363 -13.225 7.697 43 2HB LYS 6 2HB LYS 6 59.974 -11.800 8.541 44 1HG LYS 6 1HG LYS 6 59.438 -12.661 10.553 45 2HG LYS 6 2HG LYS 6 57.808 -13.064 10.015 46 1HD LYS 6 1HD LYS 6 58.776 -15.163 10.514 47 2HD LYS 6 2HD LYS 6 58.919 -15.034 8.760 48 1HE LYS 6 1HE LYS 6 61.253 -13.878 9.425 49 2HE LYS 6 2HE LYS 6 61.056 -14.931 10.841 50 1HZ LYS 6 1HZ LYS 6 60.721 -15.831 8.029 51 2HZ LYS 6 2HZ LYS 6 62.141 -16.055 8.934 52 3HZ LYS 6 3HZ LYS 6 60.699 -16.805 9.421 53 H ALA 7 H ALA 7 56.071 -12.486 9.566 54 HA ALA 7 HA ALA 7 55.086 -14.726 8.010 55 1HB ALA 7 1HB ALA 7 54.206 -13.179 10.451 56 2HB ALA 7 2HB ALA 7 53.220 -14.489 9.803 57 3HB ALA 7 3HB ALA 7 54.857 -14.816 10.369 58 H ALA 8 H ALA 8 53.837 -11.440 8.667 59 HA ALA 8 HA ALA 8 51.394 -11.630 7.238 60 1HB ALA 8 1HB ALA 8 52.990 -9.700 8.560 61 2HB ALA 8 2HB ALA 8 52.651 -9.043 6.959 62 3HB ALA 8 3HB ALA 8 51.321 -9.512 8.021 63 H VAL 9 H VAL 9 54.695 -11.148 6.102 64 HA VAL 9 HA VAL 9 54.020 -10.277 3.428 65 HB VAL 9 HB VAL 9 56.480 -11.698 4.497 66 1HG1 VAL 9 1HG1 VAL 9 55.901 -11.121 1.908 67 2HG1 VAL 9 2HG1 VAL 9 56.635 -9.598 2.408 68 3HG1 VAL 9 3HG1 VAL 9 57.541 -11.104 2.559 69 1HG2 VAL 9 1HG2 VAL 9 55.669 -9.606 5.756 70 2HG2 VAL 9 2HG2 VAL 9 57.321 -9.562 5.141 71 3HG2 VAL 9 3HG2 VAL 9 56.036 -8.714 4.280 72 H GLU 10 H GLU 10 55.359 -13.415 4.544 73 HA GLU 10 HA GLU 10 55.025 -14.904 2.204 74 1HB GLU 10 1HB GLU 10 55.619 -15.313 4.917 75 2HB GLU 10 2HB GLU 10 54.263 -16.393 4.587 76 1HG GLU 10 1HG GLU 10 56.431 -16.303 2.548 77 2HG GLU 10 2HG GLU 10 56.809 -17.096 4.079 78 H GLN 11 H GLN 11 52.568 -13.757 4.415 79 HA GLN 11 HA GLN 11 50.464 -15.560 3.469 80 1HB GLN 11 1HB GLN 11 50.814 -13.263 5.342 81 2HB GLN 11 2HB GLN 11 49.179 -13.570 4.752 82 1HG GLN 11 1HG GLN 11 48.973 -15.464 5.976 83 2HG GLN 11 2HG GLN 11 50.599 -16.009 5.562 84 1HE2 GLN 11 2HE2 GLN 11 51.022 -16.581 7.835 85 2HE2 GLN 11 1HE2 GLN 11 51.310 -15.374 8.994 86 H LEU 12 H LEU 12 51.995 -12.876 2.130 87 HA LEU 12 HA LEU 12 49.722 -11.528 0.929 88 1HB LEU 12 1HB LEU 12 52.690 -11.626 0.303 89 2HB LEU 12 2HB LEU 12 51.561 -10.480 -0.422 90 HG LEU 12 HG LEU 12 52.021 -10.763 2.561 91 1HD1 LEU 12 1HD1 LEU 12 53.130 -8.813 0.524 92 2HD1 LEU 12 2HD1 LEU 12 53.154 -8.514 2.263 93 3HD1 LEU 12 3HD1 LEU 12 54.040 -9.882 1.592 94 1HD2 LEU 12 1HD2 LEU 12 49.890 -9.668 1.152 95 2HD2 LEU 12 2HD2 LEU 12 50.328 -9.279 2.816 96 3HD2 LEU 12 3HD2 LEU 12 50.913 -8.272 1.491 97 H THR 13 H THR 13 49.585 -11.421 -1.551 98 HA THR 13 HA THR 13 49.933 -14.166 -2.713 99 HB THR 13 HB THR 13 47.917 -12.969 -4.137 100 HG1 THR 13 HG1 THR 13 46.620 -12.056 -2.361 101 1HG2 THR 13 1HG2 THR 13 47.963 -15.214 -2.997 102 2HG2 THR 13 2HG2 THR 13 47.525 -14.398 -1.496 103 3HG2 THR 13 3HG2 THR 13 46.417 -14.375 -2.869 104 H GLU 14 H GLU 14 49.785 -13.893 -5.284 105 HA GLU 14 HA GLU 14 52.092 -12.457 -6.151 106 1HB GLU 14 1HB GLU 14 50.180 -14.280 -7.149 107 2HB GLU 14 2HB GLU 14 50.141 -12.899 -8.246 108 1HG GLU 14 1HG GLU 14 52.562 -13.030 -8.556 109 2HG GLU 14 2HG GLU 14 52.662 -14.348 -7.389 110 H GLU 15 H GLU 15 48.616 -11.688 -6.599 111 HA GLU 15 HA GLU 15 48.923 -9.239 -7.986 112 1HB GLU 15 1HB GLU 15 46.878 -10.782 -7.150 113 2HB GLU 15 2HB GLU 15 46.785 -9.517 -5.925 114 1HG GLU 15 1HG GLU 15 46.168 -7.906 -7.436 115 2HG GLU 15 2HG GLU 15 47.122 -8.616 -8.739 116 H GLN 16 H GLN 16 49.057 -9.940 -4.506 117 HA GLN 16 HA GLN 16 49.190 -7.137 -3.706 118 1HB GLN 16 1HB GLN 16 48.300 -8.916 -2.268 119 2HB GLN 16 2HB GLN 16 49.853 -9.750 -2.313 120 1HG GLN 16 1HG GLN 16 50.543 -8.530 -0.556 121 2HG GLN 16 2HG GLN 16 50.367 -7.066 -1.523 122 1HE2 GLN 16 2HE2 GLN 16 49.501 -5.820 0.288 123 2HE2 GLN 16 1HE2 GLN 16 47.945 -6.111 0.900 124 H LYS 17 H LYS 17 51.588 -9.807 -3.775 125 HA LYS 17 HA LYS 17 53.847 -8.190 -3.081 126 1HB LYS 17 1HB LYS 17 54.199 -10.466 -2.826 127 2HB LYS 17 2HB LYS 17 53.277 -10.874 -4.270 128 1HG LYS 17 1HG LYS 17 55.885 -9.400 -4.536 129 2HG LYS 17 2HG LYS 17 55.885 -11.148 -4.297 130 1HD LYS 17 1HD LYS 17 55.037 -11.565 -6.373 131 2HD LYS 17 2HD LYS 17 53.973 -10.157 -6.325 132 1HE LYS 17 1HE LYS 17 55.438 -9.106 -7.704 133 2HE LYS 17 2HE LYS 17 56.619 -9.135 -6.379 134 1HZ LYS 17 1HZ LYS 17 56.155 -11.603 -7.891 135 2HZ LYS 17 2HZ LYS 17 57.094 -10.389 -8.620 136 3HZ LYS 17 3HZ LYS 17 57.569 -11.054 -7.131 137 H ASN 18 H ASN 18 52.044 -8.512 -6.021 138 HA ASN 18 HA ASN 18 54.162 -7.715 -7.854 139 1HB ASN 18 1HB ASN 18 51.196 -8.116 -7.864 140 2HB ASN 18 2HB ASN 18 51.903 -7.183 -9.184 141 1HD2 ASN 18 2HD2 ASN 18 50.792 -10.107 -8.944 142 2HD2 ASN 18 1HD2 ASN 18 52.005 -11.036 -9.683 143 H GLU 19 H GLU 19 51.802 -6.057 -5.842 144 HA GLU 19 HA GLU 19 52.083 -3.460 -7.135 145 1HB GLU 19 1HB GLU 19 50.934 -4.516 -4.543 146 2HB GLU 19 2HB GLU 19 50.919 -2.795 -4.927 147 1HG GLU 19 1HG GLU 19 49.719 -3.296 -7.044 148 2HG GLU 19 2HG GLU 19 49.685 -5.003 -6.600 149 H PHE 20 H PHE 20 53.316 -4.907 -4.100 150 HA PHE 20 HA PHE 20 54.878 -2.628 -3.298 151 1HB PHE 20 1HB PHE 20 55.102 -5.598 -2.708 152 2HB PHE 20 2HB PHE 20 55.920 -4.331 -1.793 153 HD1 PHE 20 HD1 PHE 20 53.997 -2.220 -1.505 154 HD2 PHE 20 HD2 PHE 20 53.352 -6.465 -1.429 155 HE1 PHE 20 HE1 PHE 20 51.954 -1.883 -0.139 156 HE2 PHE 20 HE2 PHE 20 51.310 -6.130 -0.063 157 HZ PHE 20 HZ PHE 20 50.610 -3.839 0.582 158 H LYS 21 H LYS 21 55.487 -5.310 -5.497 159 HA LYS 21 HA LYS 21 58.338 -5.179 -5.597 160 1HB LYS 21 1HB LYS 21 58.068 -6.591 -7.458 161 2HB LYS 21 2HB LYS 21 56.566 -6.848 -6.573 162 1HG LYS 21 1HG LYS 21 55.636 -6.414 -8.622 163 2HG LYS 21 2HG LYS 21 55.829 -4.741 -8.100 164 1HD LYS 21 1HD LYS 21 58.261 -5.064 -9.126 165 2HD LYS 21 2HD LYS 21 57.445 -6.310 -10.070 166 1HE LYS 21 1HE LYS 21 56.399 -3.469 -9.844 167 2HE LYS 21 2HE LYS 21 57.445 -4.023 -11.168 168 1HZ LYS 21 1HZ LYS 21 55.872 -5.838 -11.572 169 2HZ LYS 21 2HZ LYS 21 54.844 -5.220 -10.368 170 3HZ LYS 21 3HZ LYS 21 55.136 -4.321 -11.775 171 H ALA 22 H ALA 22 55.847 -3.149 -7.010 172 HA ALA 22 HA ALA 22 57.480 -1.863 -9.015 173 1HB ALA 22 1HB ALA 22 54.854 -1.961 -8.412 174 2HB ALA 22 2HB ALA 22 55.253 -0.423 -7.646 175 3HB ALA 22 3HB ALA 22 55.546 -0.652 -9.370 176 H ALA 23 H ALA 23 56.409 -0.748 -5.774 177 HA ALA 23 HA ALA 23 57.878 1.641 -5.617 178 1HB ALA 23 1HB ALA 23 56.167 0.599 -4.022 179 2HB ALA 23 2HB ALA 23 57.501 -0.347 -3.362 180 3HB ALA 23 3HB ALA 23 57.530 1.412 -3.252 181 H PHE 24 H PHE 24 58.920 -1.533 -4.305 182 HA PHE 24 HA PHE 24 61.511 -0.964 -3.519 183 1HB PHE 24 1HB PHE 24 60.577 -3.147 -3.233 184 2HB PHE 24 2HB PHE 24 60.304 -3.333 -4.965 185 HD1 PHE 24 HD1 PHE 24 63.216 -2.376 -2.787 186 HD2 PHE 24 HD2 PHE 24 61.744 -4.845 -5.979 187 HE1 PHE 24 HE1 PHE 24 65.464 -3.394 -3.035 188 HE2 PHE 24 HE2 PHE 24 63.992 -5.864 -6.227 189 HZ PHE 24 HZ PHE 24 65.851 -5.139 -4.755 190 H ASP 25 H ASP 25 60.450 -1.717 -6.855 191 HA ASP 25 HA ASP 25 62.979 -1.611 -8.131 192 1HB ASP 25 1HB ASP 25 60.160 -1.607 -8.781 193 2HB ASP 25 2HB ASP 25 61.021 -0.495 -9.848 194 H ILE 26 H ILE 26 60.588 1.028 -7.669 195 HA ILE 26 HA ILE 26 62.148 3.111 -8.834 196 HB ILE 26 HB ILE 26 59.975 2.973 -6.735 197 1HG1 ILE 26 1HG1 ILE 26 58.955 4.325 -8.838 198 2HG1 ILE 26 2HG1 ILE 26 60.170 3.362 -9.679 199 1HG2 ILE 26 1HG2 ILE 26 61.728 5.204 -7.390 200 2HG2 ILE 26 2HG2 ILE 26 60.041 5.582 -7.738 201 3HG2 ILE 26 3HG2 ILE 26 60.516 5.075 -6.116 202 1HD1 ILE 26 1HD1 ILE 26 58.408 2.008 -7.671 203 2HD1 ILE 26 2HD1 ILE 26 57.742 2.389 -9.260 204 3HD1 ILE 26 3HD1 ILE 26 59.161 1.349 -9.124 205 H PHE 27 H PHE 27 62.020 1.832 -5.520 206 HA PHE 27 HA PHE 27 63.679 3.820 -4.286 207 1HB PHE 27 1HB PHE 27 62.800 0.998 -3.738 208 2HB PHE 27 2HB PHE 27 64.013 1.738 -2.694 209 HD1 PHE 27 HD1 PHE 27 61.594 3.922 -4.325 210 HD2 PHE 27 HD2 PHE 27 62.386 1.614 -0.790 211 HE1 PHE 27 HE1 PHE 27 59.812 5.154 -3.121 212 HE2 PHE 27 HE2 PHE 27 60.602 2.846 0.414 213 HZ PHE 27 HZ PHE 27 59.316 4.617 -0.752 214 H VAL 28 H VAL 28 64.420 1.046 -6.292 215 HA VAL 28 HA VAL 28 67.342 1.436 -5.720 216 HB VAL 28 HB VAL 28 67.556 -0.922 -6.305 217 1HG1 VAL 28 1HG1 VAL 28 66.289 0.025 -4.065 218 2HG1 VAL 28 2HG1 VAL 28 65.121 -1.156 -4.660 219 3HG1 VAL 28 3HG1 VAL 28 66.774 -1.653 -4.300 220 1HG2 VAL 28 1HG2 VAL 28 65.234 -0.435 -7.800 221 2HG2 VAL 28 2HG2 VAL 28 66.053 -1.986 -7.614 222 3HG2 VAL 28 3HG2 VAL 28 64.725 -1.554 -6.536 223 H LEU 29 H LEU 29 65.410 2.751 -7.762 224 HA LEU 29 HA LEU 29 65.675 1.953 -10.383 225 1HB LEU 29 1HB LEU 29 64.787 4.139 -9.215 226 2HB LEU 29 2HB LEU 29 66.384 4.774 -9.613 227 HG LEU 29 HG LEU 29 64.342 3.644 -11.546 228 1HD1 LEU 29 1HD1 LEU 29 65.506 6.388 -11.034 229 2HD1 LEU 29 2HD1 LEU 29 64.686 5.982 -12.540 230 3HD1 LEU 29 3HD1 LEU 29 63.810 5.908 -11.011 231 1HD2 LEU 29 1HD2 LEU 29 67.263 4.329 -11.849 232 2HD2 LEU 29 2HD2 LEU 29 66.398 2.905 -12.427 233 3HD2 LEU 29 3HD2 LEU 29 66.165 4.462 -13.223 234 H GLY 30 H GLY 30 67.518 0.984 -11.211 235 1HA GLY 30 1HA GLY 30 69.775 0.694 -11.798 236 2HA GLY 30 2HA GLY 30 69.800 2.454 -11.942 237 H ALA 31 H ALA 31 69.389 0.300 -9.117 238 HA ALA 31 HA ALA 31 71.245 1.985 -7.563 239 1HB ALA 31 1HB ALA 31 69.040 0.992 -6.772 240 2HB ALA 31 2HB ALA 31 69.829 -0.585 -6.801 241 3HB ALA 31 3HB ALA 31 70.417 0.676 -5.715 242 H GLU 32 H GLU 32 72.172 0.168 -9.863 243 HA GLU 32 HA GLU 32 74.107 -1.128 -10.272 244 1HB GLU 32 1HB GLU 32 74.499 0.430 -7.907 245 2HB GLU 32 2HB GLU 32 75.221 -1.156 -7.634 246 1HG GLU 32 1HG GLU 32 75.714 0.439 -10.155 247 2HG GLU 32 2HG GLU 32 76.741 0.578 -8.728 248 H ASP 33 H ASP 33 73.528 -1.923 -6.838 249 HA ASP 33 HA ASP 33 73.596 -4.797 -7.462 250 1HB ASP 33 1HB ASP 33 74.634 -3.592 -5.464 251 2HB ASP 33 2HB ASP 33 72.994 -3.399 -4.843 252 H GLY 34 H GLY 34 71.186 -2.335 -6.853 253 1HA GLY 34 1HA GLY 34 68.868 -2.677 -7.512 254 2HA GLY 34 2HA GLY 34 69.072 -4.403 -7.204 255 H CYS 35 H CYS 35 70.368 -2.148 -4.904 256 HA CYS 35 HA CYS 35 68.177 -2.911 -3.002 257 1HB CYS 35 1HB CYS 35 69.981 -2.538 -1.290 258 2HB CYS 35 2HB CYS 35 70.373 -3.813 -2.444 259 HG CYS 35 HG CYS 35 71.708 -1.010 -2.351 260 H ILE 36 H ILE 36 68.935 -0.990 -1.015 261 HA ILE 36 HA ILE 36 68.307 1.587 -2.422 262 HB ILE 36 HB ILE 36 67.315 0.645 0.284 263 1HG1 ILE 36 1HG1 ILE 36 65.862 0.689 -2.381 264 2HG1 ILE 36 2HG1 ILE 36 66.469 -0.769 -1.594 265 1HG2 ILE 36 1HG2 ILE 36 67.146 3.133 -1.277 266 2HG2 ILE 36 2HG2 ILE 36 65.577 2.532 -0.734 267 3HG2 ILE 36 3HG2 ILE 36 66.849 2.858 0.442 268 1HD1 ILE 36 1HD1 ILE 36 65.009 0.561 0.395 269 2HD1 ILE 36 2HD1 ILE 36 64.032 0.722 -1.063 270 3HD1 ILE 36 3HD1 ILE 36 64.506 -0.878 -0.491 271 H SER 37 H SER 37 69.057 3.498 -1.317 272 HA SER 37 HA SER 37 70.904 3.244 0.967 273 1HB SER 37 1HB SER 37 71.689 3.398 -1.876 274 2HB SER 37 2HB SER 37 72.514 4.546 -0.826 275 HG SER 37 HG SER 37 73.231 2.143 -1.138 276 H THR 38 H THR 38 68.415 4.671 0.083 277 HA THR 38 HA THR 38 67.457 6.786 0.531 278 HB THR 38 HB THR 38 68.637 8.232 1.917 279 HG1 THR 38 HG1 THR 38 71.068 8.173 1.725 280 1HG2 THR 38 1HG2 THR 38 69.032 5.549 2.391 281 2HG2 THR 38 2HG2 THR 38 70.673 6.194 2.475 282 3HG2 THR 38 3HG2 THR 38 69.414 6.847 3.523 283 H LYS 39 H LYS 39 70.691 7.121 -1.021 284 HA LYS 39 HA LYS 39 70.223 9.354 -2.622 285 1HB LYS 39 1HB LYS 39 71.800 8.172 -4.225 286 2HB LYS 39 2HB LYS 39 72.359 8.219 -2.553 287 1HG LYS 39 1HG LYS 39 70.921 5.905 -2.532 288 2HG LYS 39 2HG LYS 39 71.513 5.908 -4.195 289 1HD LYS 39 1HD LYS 39 73.171 6.095 -1.666 290 2HD LYS 39 2HD LYS 39 73.166 4.782 -2.845 291 1HE LYS 39 1HE LYS 39 73.789 6.762 -4.528 292 2HE LYS 39 2HE LYS 39 74.426 7.488 -3.038 293 1HZ LYS 39 1HZ LYS 39 75.429 5.216 -2.603 294 2HZ LYS 39 2HZ LYS 39 75.107 4.865 -4.231 295 3HZ LYS 39 3HZ LYS 39 76.155 6.141 -3.829 296 H GLU 40 H GLU 40 68.985 6.062 -3.011 297 HA GLU 40 HA GLU 40 67.693 6.757 -5.597 298 1HB GLU 40 1HB GLU 40 67.589 4.215 -3.941 299 2HB GLU 40 2HB GLU 40 67.189 4.380 -5.651 300 1HG GLU 40 1HG GLU 40 69.936 4.969 -4.524 301 2HG GLU 40 2HG GLU 40 69.474 3.398 -5.182 302 H LEU 41 H LEU 41 67.024 6.458 -2.204 303 HA LEU 41 HA LEU 41 64.118 6.225 -2.483 304 1HB LEU 41 1HB LEU 41 65.768 5.406 -0.628 305 2HB LEU 41 2HB LEU 41 65.655 7.062 -0.028 306 HG LEU 41 HG LEU 41 63.977 5.740 1.107 307 1HD1 LEU 41 1HD1 LEU 41 63.408 8.060 0.261 308 2HD1 LEU 41 2HD1 LEU 41 62.582 7.284 -1.092 309 3HD1 LEU 41 3HD1 LEU 41 62.015 7.018 0.558 310 1HD2 LEU 41 1HD2 LEU 41 63.935 4.255 -1.228 311 2HD2 LEU 41 2HD2 LEU 41 62.799 4.078 0.110 312 3HD2 LEU 41 3HD2 LEU 41 62.382 5.090 -1.273 313 H GLY 42 H GLY 42 66.194 8.732 -0.969 314 1HA GLY 42 1HA GLY 42 64.331 10.757 -0.664 315 2HA GLY 42 2HA GLY 42 66.016 11.082 -1.070 316 H LYS 43 H LYS 43 65.776 9.630 -3.655 317 HA LYS 43 HA LYS 43 65.237 11.772 -5.403 318 1HB LYS 43 1HB LYS 43 65.958 9.029 -5.489 319 2HB LYS 43 2HB LYS 43 64.609 9.227 -6.608 320 1HG LYS 43 1HG LYS 43 65.791 10.616 -8.006 321 2HG LYS 43 2HG LYS 43 66.738 11.309 -6.689 322 1HD LYS 43 1HD LYS 43 67.448 8.589 -6.769 323 2HD LYS 43 2HD LYS 43 67.401 9.115 -8.452 324 1HE LYS 43 1HE LYS 43 68.718 11.214 -7.509 325 2HE LYS 43 2HE LYS 43 69.166 10.074 -6.224 326 1HZ LYS 43 1HZ LYS 43 69.517 8.479 -8.235 327 2HZ LYS 43 2HZ LYS 43 69.706 9.923 -9.110 328 3HZ LYS 43 3HZ LYS 43 70.737 9.582 -7.806 329 H VAL 44 H VAL 44 63.031 9.266 -4.171 330 HA VAL 44 HA VAL 44 60.800 10.260 -5.817 331 HB VAL 44 HB VAL 44 61.180 8.136 -3.697 332 1HG1 VAL 44 1HG1 VAL 44 58.886 9.204 -3.607 333 2HG1 VAL 44 2HG1 VAL 44 58.649 8.681 -5.273 334 3HG1 VAL 44 3HG1 VAL 44 58.879 7.485 -3.997 335 1HG2 VAL 44 1HG2 VAL 44 61.760 8.175 -6.392 336 2HG2 VAL 44 2HG2 VAL 44 61.444 6.714 -5.454 337 3HG2 VAL 44 3HG2 VAL 44 60.144 7.470 -6.373 338 H MET 45 H MET 45 61.968 10.534 -2.495 339 HA MET 45 HA MET 45 59.788 11.431 -1.051 340 1HB MET 45 1HB MET 45 62.611 12.531 -1.221 341 2HB MET 45 2HB MET 45 61.485 12.937 0.075 342 1HG MET 45 1HG MET 45 62.453 10.152 -0.635 343 2HG MET 45 2HG MET 45 62.935 11.089 0.779 344 1HE MET 45 1HE MET 45 60.395 9.448 -1.246 345 2HE MET 45 2HE MET 45 60.635 8.135 -0.096 346 3HE MET 45 3HE MET 45 59.073 8.945 -0.184 347 H ARG 46 H ARG 46 61.874 13.616 -2.998 348 HA ARG 46 HA ARG 46 60.163 15.898 -2.804 349 1HB ARG 46 1HB ARG 46 62.520 14.969 -4.285 350 2HB ARG 46 2HB ARG 46 61.522 16.078 -5.226 351 1HG ARG 46 1HG ARG 46 61.838 16.962 -2.460 352 2HG ARG 46 2HG ARG 46 63.386 16.808 -3.292 353 1HD ARG 46 1HD ARG 46 61.139 18.145 -4.759 354 2HD ARG 46 2HD ARG 46 61.982 19.058 -3.491 355 HE ARG 46 HE ARG 46 63.410 17.746 -5.777 356 1HH1 ARG 46 1HH2 ARG 46 62.510 20.772 -5.010 357 2HH1 ARG 46 2HH2 ARG 46 64.095 21.439 -4.806 358 1HH2 ARG 46 1HH1 ARG 46 65.680 18.354 -4.826 359 2HH2 ARG 46 2HH1 ARG 46 65.891 20.069 -4.699 360 H MET 47 H MET 47 59.955 12.994 -4.680 361 HA MET 47 HA MET 47 58.236 14.072 -6.784 362 1HB MET 47 1HB MET 47 59.761 11.772 -6.263 363 2HB MET 47 2HB MET 47 58.092 11.204 -6.317 364 1HG MET 47 1HG MET 47 58.851 13.138 -8.430 365 2HG MET 47 2HG MET 47 59.622 11.556 -8.536 366 1HE MET 47 1HE MET 47 58.572 9.405 -8.917 367 2HE MET 47 2HE MET 47 57.673 9.509 -7.397 368 3HE MET 47 3HE MET 47 56.849 9.036 -8.880 369 H LEU 48 H LEU 48 57.749 12.206 -3.774 370 HA LEU 48 HA LEU 48 54.858 12.023 -4.150 371 1HB LEU 48 1HB LEU 48 56.529 11.635 -1.651 372 2HB LEU 48 2HB LEU 48 54.938 10.949 -1.978 373 HG LEU 48 HG LEU 48 57.280 10.375 -3.791 374 1HD1 LEU 48 1HD1 LEU 48 56.468 8.912 -1.259 375 2HD1 LEU 48 2HD1 LEU 48 57.587 8.275 -2.463 376 3HD1 LEU 48 3HD1 LEU 48 58.004 9.727 -1.555 377 1HD2 LEU 48 1HD2 LEU 48 54.499 9.652 -3.673 378 2HD2 LEU 48 2HD2 LEU 48 55.700 9.173 -4.873 379 3HD2 LEU 48 3HD2 LEU 48 55.469 8.200 -3.420 380 H GLY 49 H GLY 49 57.035 14.386 -2.871 381 1HA GLY 49 1HA GLY 49 56.040 16.663 -2.563 382 2HA GLY 49 2HA GLY 49 54.696 15.871 -1.740 383 H GLN 50 H GLN 50 57.987 14.805 -1.225 384 HA GLN 50 HA GLN 50 58.121 16.278 1.364 385 1HB GLN 50 1HB GLN 50 58.241 13.270 0.973 386 2HB GLN 50 2HB GLN 50 58.578 14.093 2.496 387 1HG GLN 50 1HG GLN 50 55.962 14.254 0.968 388 2HG GLN 50 2HG GLN 50 56.240 13.269 2.405 389 1HE2 GLN 50 2HE2 GLN 50 57.725 15.028 4.017 390 2HE2 GLN 50 1HE2 GLN 50 56.783 16.390 4.391 391 H ASN 51 H ASN 51 60.362 15.610 2.438 392 HA ASN 51 HA ASN 51 62.487 14.786 0.615 393 1HB ASN 51 1HB ASN 51 61.964 17.025 -0.244 394 2HB ASN 51 2HB ASN 51 62.133 17.705 1.375 395 1HD2 ASN 51 2HD2 ASN 51 64.031 15.875 -1.084 396 2HD2 ASN 51 1HD2 ASN 51 65.524 16.556 -0.651 397 HA PRO 52 HA PRO 52 63.498 14.425 5.064 398 1HB PRO 52 1HB PRO 52 64.502 11.890 4.889 399 2HB PRO 52 2HB PRO 52 62.770 12.231 5.081 400 1HG PRO 52 1HG PRO 52 64.283 11.432 2.662 401 2HG PRO 52 2HG PRO 52 62.626 11.041 3.141 402 1HD PRO 52 1HD PRO 52 63.335 12.951 1.266 403 2HD PRO 52 2HD PRO 52 61.778 12.882 2.119 404 H THR 53 H THR 53 65.554 14.808 5.951 405 HA THR 53 HA THR 53 67.724 15.534 4.210 406 HB THR 53 HB THR 53 68.779 15.188 6.745 407 HG1 THR 53 HG1 THR 53 66.735 16.141 7.849 408 1HG2 THR 53 1HG2 THR 53 67.155 17.442 5.551 409 2HG2 THR 53 2HG2 THR 53 68.051 17.599 7.062 410 3HG2 THR 53 3HG2 THR 53 68.910 17.267 5.558 411 HA PRO 54 HA PRO 54 70.072 11.846 3.826 412 1HB PRO 54 1HB PRO 54 72.596 12.520 4.651 413 2HB PRO 54 2HB PRO 54 71.891 13.089 3.123 414 1HG PRO 54 1HG PRO 54 72.140 14.504 5.734 415 2HG PRO 54 2HG PRO 54 72.374 15.121 4.091 416 1HD PRO 54 1HD PRO 54 70.117 15.574 5.524 417 2HD PRO 54 2HD PRO 54 70.127 15.453 3.750 418 H GLU 55 H GLU 55 69.843 13.291 6.960 419 HA GLU 55 HA GLU 55 71.154 11.091 8.402 420 1HB GLU 55 1HB GLU 55 69.352 13.331 9.379 421 2HB GLU 55 2HB GLU 55 70.491 12.395 10.350 422 1HG GLU 55 1HG GLU 55 72.376 13.310 9.143 423 2HG GLU 55 2HG GLU 55 71.307 14.102 7.984 424 H GLU 56 H GLU 56 67.795 12.331 8.202 425 HA GLU 56 HA GLU 56 66.634 10.071 9.576 426 1HB GLU 56 1HB GLU 56 65.902 12.613 8.677 427 2HB GLU 56 2HB GLU 56 64.899 11.519 7.723 428 1HG GLU 56 1HG GLU 56 63.598 11.813 9.644 429 2HG GLU 56 2HG GLU 56 64.475 10.331 10.022 430 H LEU 57 H LEU 57 67.448 10.737 6.224 431 HA LEU 57 HA LEU 57 65.778 8.935 4.845 432 1HB LEU 57 1HB LEU 57 68.185 10.446 4.449 433 2HB LEU 57 2HB LEU 57 68.418 8.838 3.762 434 HG LEU 57 HG LEU 57 66.119 10.725 3.167 435 1HD1 LEU 57 1HD1 LEU 57 68.735 10.231 1.958 436 2HD1 LEU 57 2HD1 LEU 57 67.413 9.999 0.814 437 3HD1 LEU 57 3HD1 LEU 57 67.589 11.538 1.655 438 1HD2 LEU 57 1HD2 LEU 57 66.717 7.886 2.293 439 2HD2 LEU 57 2HD2 LEU 57 65.269 8.477 3.108 440 3HD2 LEU 57 3HD2 LEU 57 65.587 8.933 1.434 441 H GLN 58 H GLN 58 69.073 8.258 6.104 442 HA GLN 58 HA GLN 58 69.230 5.524 5.516 443 1HB GLN 58 1HB GLN 58 70.668 7.431 6.911 444 2HB GLN 58 2HB GLN 58 70.236 6.279 8.174 445 1HG GLN 58 1HG GLN 58 71.087 4.943 5.720 446 2HG GLN 58 2HG GLN 58 72.339 6.006 6.367 447 1HE2 GLN 58 2HE2 GLN 58 71.825 2.891 6.431 448 2HE2 GLN 58 1HE2 GLN 58 72.113 2.503 8.059 449 H GLU 59 H GLU 59 67.374 7.126 8.048 450 HA GLU 59 HA GLU 59 66.864 4.924 9.766 451 1HB GLU 59 1HB GLU 59 66.117 7.588 9.486 452 2HB GLU 59 2HB GLU 59 64.592 6.718 9.307 453 1HG GLU 59 1HG GLU 59 64.949 5.557 11.414 454 2HG GLU 59 2HG GLU 59 66.555 6.268 11.574 455 H MET 60 H MET 60 64.976 6.063 6.932 456 HA MET 60 HA MET 60 62.909 4.175 6.928 457 1HB MET 60 1HB MET 60 64.376 5.849 4.992 458 2HB MET 60 2HB MET 60 63.568 4.459 4.268 459 1HG MET 60 1HG MET 60 61.437 5.130 5.119 460 2HG MET 60 2HG MET 60 62.166 6.331 6.185 461 1HE MET 60 1HE MET 60 60.808 5.226 3.153 462 2HE MET 60 2HE MET 60 60.679 6.597 2.056 463 3HE MET 60 3HE MET 60 62.127 5.595 2.033 464 H ILE 61 H ILE 61 66.275 3.776 5.902 465 HA ILE 61 HA ILE 61 65.829 1.059 4.871 466 HB ILE 61 HB ILE 61 68.180 2.909 5.306 467 1HG1 ILE 61 1HG1 ILE 61 68.224 2.294 2.711 468 2HG1 ILE 61 2HG1 ILE 61 66.525 1.929 3.012 469 1HG2 ILE 61 1HG2 ILE 61 68.855 0.534 5.764 470 2HG2 ILE 61 2HG2 ILE 61 68.293 0.108 4.146 471 3HG2 ILE 61 3HG2 ILE 61 69.645 1.224 4.345 472 1HD1 ILE 61 1HD1 ILE 61 67.534 4.481 4.148 473 2HD1 ILE 61 2HD1 ILE 61 67.398 4.409 2.391 474 3HD1 ILE 61 3HD1 ILE 61 65.979 4.118 3.397 475 H ASP 62 H ASP 62 67.746 2.466 7.563 476 HA ASP 62 HA ASP 62 68.557 0.090 8.821 477 1HB ASP 62 1HB ASP 62 68.024 2.915 9.559 478 2HB ASP 62 2HB ASP 62 68.096 1.781 10.908 479 H GLU 63 H GLU 63 65.375 1.472 8.603 480 HA GLU 63 HA GLU 63 64.118 0.378 10.906 481 1HB GLU 63 1HB GLU 63 63.326 2.028 9.056 482 2HB GLU 63 2HB GLU 63 62.837 0.575 8.183 483 1HG GLU 63 1HG GLU 63 60.951 0.509 9.404 484 2HG GLU 63 2HG GLU 63 61.928 0.269 10.853 485 H VAL 64 H VAL 64 65.196 -1.150 7.944 486 HA VAL 64 HA VAL 64 64.224 -3.766 9.009 487 HB VAL 64 HB VAL 64 63.348 -4.305 6.770 488 1HG1 VAL 64 1HG1 VAL 64 61.904 -3.129 8.448 489 2HG1 VAL 64 2HG1 VAL 64 62.349 -1.597 7.697 490 3HG1 VAL 64 3HG1 VAL 64 61.440 -2.796 6.779 491 1HG2 VAL 64 1HG2 VAL 64 65.076 -2.299 5.929 492 2HG2 VAL 64 2HG2 VAL 64 63.858 -3.088 4.927 493 3HG2 VAL 64 3HG2 VAL 64 63.484 -1.567 5.735 494 H ASP 65 H ASP 65 66.903 -2.680 9.034 495 HA ASP 65 HA ASP 65 68.280 -4.225 6.873 496 1HB ASP 65 1HB ASP 65 68.583 -1.655 7.830 497 2HB ASP 65 2HB ASP 65 69.847 -2.524 8.701 498 H GLU 66 H GLU 66 67.889 -6.300 8.011 499 HA GLU 66 HA GLU 66 69.333 -6.618 10.606 500 1HB GLU 66 1HB GLU 66 66.873 -7.382 9.881 501 2HB GLU 66 2HB GLU 66 67.755 -8.786 9.277 502 1HG GLU 66 1HG GLU 66 68.831 -8.257 11.828 503 2HG GLU 66 2HG GLU 66 67.083 -8.101 12.008 504 H ASP 67 H ASP 67 70.863 -6.309 8.138 505 HA ASP 67 HA ASP 67 72.152 -9.013 8.050 506 1HB ASP 67 1HB ASP 67 72.462 -8.621 5.614 507 2HB ASP 67 2HB ASP 67 70.755 -8.631 6.058 508 H GLY 68 H GLY 68 72.519 -5.833 8.875 509 1HA GLY 68 1HA GLY 68 74.404 -4.509 9.315 510 2HA GLY 68 2HA GLY 68 75.356 -5.988 9.171 511 H SER 69 H SER 69 73.312 -4.552 6.655 512 HA SER 69 HA SER 69 75.742 -4.365 4.923 513 1HB SER 69 1HB SER 69 74.122 -4.546 3.101 514 2HB SER 69 2HB SER 69 73.804 -5.816 4.280 515 HG SER 69 HG SER 69 71.866 -4.850 3.841 516 H GLY 70 H GLY 70 72.611 -2.626 5.127 517 1HA GLY 70 1HA GLY 70 72.848 -0.183 5.897 518 2HA GLY 70 2HA GLY 70 74.133 -0.089 4.692 519 H THR 71 H THR 71 72.085 -2.135 3.266 520 HA THR 71 HA THR 71 70.431 0.059 2.053 521 HB THR 71 HB THR 71 70.775 -1.181 -0.087 522 HG1 THR 71 HG1 THR 71 71.169 -3.224 0.598 523 1HG2 THR 71 1HG2 THR 71 72.977 -0.015 1.530 524 2HG2 THR 71 2HG2 THR 71 73.451 -0.890 0.075 525 3HG2 THR 71 3HG2 THR 71 72.349 0.481 -0.041 526 H VAL 72 H VAL 72 68.419 -0.818 0.979 527 HA VAL 72 HA VAL 72 67.302 -3.072 2.596 528 HB VAL 72 HB VAL 72 66.186 -0.650 1.181 529 1HG1 VAL 72 1HG1 VAL 72 64.767 -2.622 0.605 530 2HG1 VAL 72 2HG1 VAL 72 64.582 -2.959 2.326 531 3HG1 VAL 72 3HG1 VAL 72 63.925 -1.472 1.644 532 1HG2 VAL 72 1HG2 VAL 72 66.771 -1.471 3.900 533 2HG2 VAL 72 2HG2 VAL 72 66.302 0.117 3.300 534 3HG2 VAL 72 3HG2 VAL 72 65.064 -1.060 3.732 535 H ASP 73 H ASP 73 66.147 -4.757 1.514 536 HA ASP 73 HA ASP 73 66.566 -4.895 -1.456 537 1HB ASP 73 1HB ASP 73 66.585 -7.220 0.485 538 2HB ASP 73 2HB ASP 73 67.196 -7.186 -1.170 539 H PHE 74 H PHE 74 64.993 -6.585 -2.439 540 HA PHE 74 HA PHE 74 62.302 -5.867 -1.992 541 1HB PHE 74 1HB PHE 74 63.177 -6.994 -3.997 542 2HB PHE 74 2HB PHE 74 63.504 -8.447 -3.053 543 HD1 PHE 74 HD1 PHE 74 60.724 -6.120 -3.997 544 HD2 PHE 74 HD2 PHE 74 61.848 -10.096 -2.817 545 HE1 PHE 74 HE1 PHE 74 58.396 -6.890 -4.369 546 HE2 PHE 74 HE2 PHE 74 59.519 -10.864 -3.191 547 HZ PHE 74 HZ PHE 74 57.794 -9.261 -3.967 548 H ASP 75 H ASP 75 64.333 -8.024 -0.189 549 HA ASP 75 HA ASP 75 62.155 -9.563 1.025 550 1HB ASP 75 1HB ASP 75 64.826 -9.914 0.628 551 2HB ASP 75 2HB ASP 75 64.824 -9.379 2.309 552 H GLU 76 H GLU 76 64.544 -7.245 2.374 553 HA GLU 76 HA GLU 76 63.117 -6.877 4.851 554 1HB GLU 76 1HB GLU 76 65.143 -5.132 3.409 555 2HB GLU 76 2HB GLU 76 64.754 -5.050 5.127 556 1HG GLU 76 1HG GLU 76 65.683 -7.191 5.556 557 2HG GLU 76 2HG GLU 76 65.713 -7.607 3.841 558 H PHE 77 H PHE 77 63.060 -5.210 1.728 559 HA PHE 77 HA PHE 77 61.670 -2.846 2.461 560 1HB PHE 77 1HB PHE 77 62.710 -3.211 0.288 561 2HB PHE 77 2HB PHE 77 61.618 -4.555 -0.046 562 HD1 PHE 77 HD1 PHE 77 59.244 -4.167 -0.534 563 HD2 PHE 77 HD2 PHE 77 61.944 -0.903 0.174 564 HE1 PHE 77 HE1 PHE 77 57.578 -2.586 -1.467 565 HE2 PHE 77 HE2 PHE 77 60.278 0.679 -0.758 566 HZ PHE 77 HZ PHE 77 58.095 -0.162 -1.580 567 H LEU 78 H LEU 78 60.411 -6.060 1.546 568 HA LEU 78 HA LEU 78 57.634 -5.390 1.564 569 1HB LEU 78 1HB LEU 78 59.374 -7.704 1.434 570 2HB LEU 78 2HB LEU 78 57.964 -8.054 2.434 571 HG LEU 78 HG LEU 78 57.839 -6.840 -0.341 572 1HD1 LEU 78 1HD1 LEU 78 58.647 -9.276 -0.132 573 2HD1 LEU 78 2HD1 LEU 78 57.026 -9.637 0.461 574 3HD1 LEU 78 3HD1 LEU 78 57.247 -8.989 -1.164 575 1HD2 LEU 78 1HD2 LEU 78 55.953 -7.062 1.815 576 2HD2 LEU 78 2HD2 LEU 78 55.701 -6.383 0.207 577 3HD2 LEU 78 3HD2 LEU 78 55.426 -8.102 0.491 578 H VAL 79 H VAL 79 59.910 -5.945 4.153 579 HA VAL 79 HA VAL 79 57.893 -6.489 6.203 580 HB VAL 79 HB VAL 79 60.838 -5.763 6.253 581 1HG1 VAL 79 1HG1 VAL 79 58.954 -6.663 8.446 582 2HG1 VAL 79 2HG1 VAL 79 60.709 -6.747 8.586 583 3HG1 VAL 79 3HG1 VAL 79 59.913 -5.185 8.398 584 1HG2 VAL 79 1HG2 VAL 79 59.433 -8.140 5.554 585 2HG2 VAL 79 2HG2 VAL 79 61.175 -7.930 5.739 586 3HG2 VAL 79 3HG2 VAL 79 60.196 -8.426 7.119 587 H MET 80 H MET 80 59.266 -3.660 4.741 588 HA MET 80 HA MET 80 58.887 -1.832 6.963 589 1HB MET 80 1HB MET 80 60.294 -1.748 4.718 590 2HB MET 80 2HB MET 80 58.825 -1.013 4.077 591 1HG MET 80 1HG MET 80 59.506 0.117 6.664 592 2HG MET 80 2HG MET 80 60.845 0.286 5.528 593 1HE MET 80 1HE MET 80 60.528 0.736 3.189 594 2HE MET 80 2HE MET 80 58.885 0.502 2.597 595 3HE MET 80 3HE MET 80 59.612 2.115 2.586 596 H MET 81 H MET 81 56.822 -3.060 4.392 597 HA MET 81 HA MET 81 54.751 -1.012 4.808 598 1HB MET 81 1HB MET 81 55.004 -3.555 3.180 599 2HB MET 81 2HB MET 81 53.558 -2.543 3.155 600 1HG MET 81 1HG MET 81 55.914 -0.904 2.822 601 2HG MET 81 2HG MET 81 55.903 -2.198 1.623 602 1HE MET 81 1HE MET 81 55.840 0.799 1.624 603 2HE MET 81 2HE MET 81 54.627 1.409 0.489 604 3HE MET 81 3HE MET 81 54.328 1.476 2.225 605 H VAL 82 H VAL 82 55.634 -3.977 6.286 606 HA VAL 82 HA VAL 82 52.908 -4.744 7.089 607 HB VAL 82 HB VAL 82 55.580 -5.728 8.122 608 1HG1 VAL 82 1HG1 VAL 82 53.287 -6.390 9.150 609 2HG1 VAL 82 2HG1 VAL 82 53.057 -7.314 7.665 610 3HG1 VAL 82 3HG1 VAL 82 54.412 -7.683 8.732 611 1HG2 VAL 82 1HG2 VAL 82 54.239 -6.088 5.482 612 2HG2 VAL 82 2HG2 VAL 82 55.957 -6.106 5.883 613 3HG2 VAL 82 3HG2 VAL 82 54.959 -7.522 6.215 614 H ARG 83 H ARG 83 55.807 -3.350 8.654 615 HA ARG 83 HA ARG 83 54.765 -3.215 11.306 616 1HB ARG 83 1HB ARG 83 56.757 -1.500 9.787 617 2HB ARG 83 2HB ARG 83 56.558 -1.471 11.540 618 1HG ARG 83 1HG ARG 83 57.252 -3.751 11.753 619 2HG ARG 83 2HG ARG 83 57.144 -4.015 10.012 620 1HD ARG 83 1HD ARG 83 59.084 -2.726 9.574 621 2HD ARG 83 2HD ARG 83 59.031 -1.953 11.170 622 HE ARG 83 HE ARG 83 59.446 -4.906 10.949 623 1HH1 ARG 83 1HH2 ARG 83 61.882 -3.100 10.613 624 2HH1 ARG 83 2HH2 ARG 83 62.494 -3.061 12.233 625 1HH2 ARG 83 1HH1 ARG 83 59.578 -4.292 13.648 626 2HH2 ARG 83 2HH1 ARG 83 61.191 -3.738 13.951 627 H CYS 84 H CYS 84 54.700 -0.805 8.658 628 HA CYS 84 HA CYS 84 53.249 1.183 10.187 629 1HB CYS 84 1HB CYS 84 53.103 2.284 8.007 630 2HB CYS 84 2HB CYS 84 54.709 1.575 8.188 631 HG CYS 84 HG CYS 84 53.654 -0.529 6.774 632 H MET 85 H MET 85 52.300 -1.796 8.924 633 HA MET 85 HA MET 85 49.492 -0.913 8.413 634 1HB MET 85 1HB MET 85 51.331 -2.879 7.361 635 2HB MET 85 2HB MET 85 49.863 -3.678 7.927 636 1HG MET 85 1HG MET 85 49.217 -1.228 6.514 637 2HG MET 85 2HG MET 85 50.192 -2.295 5.503 638 1HE MET 85 1HE MET 85 49.921 -4.783 5.630 639 2HE MET 85 2HE MET 85 49.092 -5.202 7.135 640 3HE MET 85 3HE MET 85 48.376 -5.628 5.583 641 H LYS 86 H LYS 86 47.809 -2.544 9.268 642 HA LYS 86 HA LYS 86 48.150 -2.835 12.150 643 1HB LYS 86 1HB LYS 86 46.077 -2.486 10.382 644 2HB LYS 86 2HB LYS 86 45.912 -4.196 10.782 645 1HG LYS 86 1HG LYS 86 46.294 -2.121 12.938 646 2HG LYS 86 2HG LYS 86 44.692 -2.492 12.300 647 1HD LYS 86 1HD LYS 86 44.593 -4.299 13.635 648 2HD LYS 86 2HD LYS 86 45.998 -4.971 12.808 649 1HE LYS 86 1HE LYS 86 46.642 -4.834 15.110 650 2HE LYS 86 2HE LYS 86 47.403 -3.422 14.347 651 1HZ LYS 86 1HZ LYS 86 45.387 -2.141 14.909 652 2HZ LYS 86 2HZ LYS 86 44.795 -3.480 15.772 653 3HZ LYS 86 3HZ LYS 86 46.212 -2.693 16.285 654 H ASP 87 H ASP 87 48.521 -4.751 13.291 655 HA ASP 87 HA ASP 87 49.108 -7.185 11.636 656 1HB ASP 87 1HB ASP 87 50.741 -7.699 13.402 657 2HB ASP 87 2HB ASP 87 51.019 -6.071 12.783 658 H ASP 88 H ASP 88 47.389 -8.581 11.852 659 HA ASP 88 HA ASP 88 46.497 -9.280 14.604 660 1HB ASP 88 1HB ASP 88 45.038 -7.464 13.738 661 2HB ASP 88 2HB ASP 88 44.667 -8.453 12.325 662 H SER 89 H SER 89 47.914 -11.154 13.702 663 HA SER 89 HA SER 89 46.096 -13.123 12.385 664 1HB SER 89 1HB SER 89 47.299 -12.610 10.498 665 2HB SER 89 2HB SER 89 48.645 -11.946 11.420 666 HG SER 89 HG SER 89 49.531 -13.785 10.865 667 1H ARG 1 1H ARG 1 57.826 7.644 8.989 668 2H ARG 1 2H ARG 1 57.916 6.681 10.381 669 3H ARG 1 3H ARG 1 58.110 5.975 8.848 670 HA ARG 1 HA ARG 1 55.916 5.441 9.565 671 1HB ARG 1 1HB ARG 1 56.132 7.386 11.253 672 2HB ARG 1 2HB ARG 1 55.497 8.409 9.963 673 1HG ARG 1 1HG ARG 1 53.825 6.144 10.018 674 2HG ARG 1 2HG ARG 1 54.073 6.589 11.707 675 1HD ARG 1 1HD ARG 1 53.453 8.751 9.708 676 2HD ARG 1 2HD ARG 1 52.136 7.753 10.355 677 HE ARG 1 HE ARG 1 54.056 8.939 12.289 678 1HH1 ARG 1 1HH1 ARG 1 51.079 7.676 12.276 679 2HH1 ARG 1 2HH1 ARG 1 50.233 9.055 12.896 680 1HH2 ARG 1 1HH2 ARG 1 52.909 11.218 12.472 681 2HH2 ARG 1 2HH2 ARG 1 51.270 11.060 13.008 682 H ILE 2 H ILE 2 56.176 5.033 7.203 683 HA ILE 2 HA ILE 2 55.376 7.203 5.360 684 HB ILE 2 HB ILE 2 56.026 4.268 4.922 685 1HG1 ILE 2 1HG1 ILE 2 57.795 6.720 4.638 686 2HG1 ILE 2 2HG1 ILE 2 57.860 5.595 5.996 687 1HG2 ILE 2 1HG2 ILE 2 55.214 6.477 3.168 688 2HG2 ILE 2 2HG2 ILE 2 56.720 5.710 2.662 689 3HG2 ILE 2 3HG2 ILE 2 55.257 4.743 2.844 690 1HD1 ILE 2 1HD1 ILE 2 58.061 3.813 4.007 691 2HD1 ILE 2 2HD1 ILE 2 58.739 5.210 3.170 692 3HD1 ILE 2 3HD1 ILE 2 59.477 4.634 4.665 693 H SER 3 H SER 3 53.511 6.952 3.933 694 HA SER 3 HA SER 3 51.297 5.398 5.205 695 1HB SER 3 1HB SER 3 51.102 7.864 4.957 696 2HB SER 3 2HB SER 3 51.309 7.693 3.216 697 HG SER 3 HG SER 3 49.130 7.142 4.832 698 H ALA 4 H ALA 4 49.905 5.940 2.472 699 HA ALA 4 HA ALA 4 51.307 4.074 0.669 700 1HB ALA 4 1HB ALA 4 50.165 2.657 2.370 701 2HB ALA 4 2HB ALA 4 48.631 3.416 1.945 702 3HB ALA 4 3HB ALA 4 49.481 2.425 0.761 703 H ASP 5 H ASP 5 48.359 5.919 1.417 704 HA ASP 5 HA ASP 5 47.162 5.913 -1.158 705 1HB ASP 5 1HB ASP 5 46.871 7.153 1.391 706 2HB ASP 5 2HB ASP 5 46.822 8.435 0.180 707 H ALA 6 H ALA 6 49.375 8.346 0.279 708 HA ALA 6 HA ALA 6 49.584 10.010 -2.028 709 1HB ALA 6 1HB ALA 6 50.674 9.739 0.603 710 2HB ALA 6 2HB ALA 6 52.014 9.993 -0.515 711 3HB ALA 6 3HB ALA 6 50.695 11.162 -0.439 712 H MET 7 H MET 7 51.900 7.528 -0.851 713 HA MET 7 HA MET 7 53.785 7.580 -2.890 714 1HB MET 7 1HB MET 7 53.414 6.094 -0.741 715 2HB MET 7 2HB MET 7 52.708 4.958 -1.892 716 1HG MET 7 1HG MET 7 54.876 5.396 -3.280 717 2HG MET 7 2HG MET 7 55.532 5.993 -1.755 718 1HE MET 7 1HE MET 7 57.292 4.379 -2.247 719 2HE MET 7 2HE MET 7 57.265 2.657 -1.877 720 3HE MET 7 3HE MET 7 56.657 3.227 -3.430 721 H MET 8 H MET 8 50.855 5.500 -2.908 722 HA MET 8 HA MET 8 51.200 4.560 -5.589 723 1HB MET 8 1HB MET 8 49.047 4.702 -3.525 724 2HB MET 8 2HB MET 8 48.560 4.313 -5.176 725 1HG MET 8 1HG MET 8 49.053 2.245 -3.975 726 2HG MET 8 2HG MET 8 50.277 2.505 -5.218 727 1HE MET 8 1HE MET 8 52.305 2.834 -5.130 728 2HE MET 8 2HE MET 8 52.861 4.151 -4.101 729 3HE MET 8 3HE MET 8 53.410 2.495 -3.800 730 H GLN 9 H GLN 9 49.905 7.549 -4.313 731 HA GLN 9 HA GLN 9 48.479 8.268 -6.779 732 1HB GLN 9 1HB GLN 9 48.449 8.995 -4.092 733 2HB GLN 9 2HB GLN 9 49.155 10.401 -4.888 734 1HG GLN 9 1HG GLN 9 47.263 10.455 -6.473 735 2HG GLN 9 2HG GLN 9 46.554 9.053 -5.672 736 1HE2 GLN 9 2HE2 GLN 9 44.965 9.632 -4.193 737 2HE2 GLN 9 1HE2 GLN 9 44.942 11.070 -3.292 738 H ALA 10 H ALA 10 51.344 9.564 -5.056 739 HA ALA 10 HA ALA 10 52.172 11.105 -7.423 740 1HB ALA 10 1HB ALA 10 52.419 11.346 -4.700 741 2HB ALA 10 2HB ALA 10 54.012 10.730 -5.144 742 3HB ALA 10 3HB ALA 10 53.409 12.225 -5.864 743 H LEU 11 H LEU 11 53.511 8.418 -5.482 744 HA LEU 11 HA LEU 11 55.734 7.952 -7.278 745 1HB LEU 11 1HB LEU 11 54.756 7.143 -4.728 746 2HB LEU 11 2HB LEU 11 55.046 5.680 -5.654 747 HG LEU 11 HG LEU 11 56.997 7.834 -4.867 748 1HD1 LEU 11 1HD1 LEU 11 56.644 4.901 -4.483 749 2HD1 LEU 11 2HD1 LEU 11 58.294 5.517 -4.572 750 3HD1 LEU 11 3HD1 LEU 11 57.191 6.127 -3.339 751 1HD2 LEU 11 1HD2 LEU 11 56.913 6.545 -7.441 752 2HD2 LEU 11 2HD2 LEU 11 58.103 7.687 -6.823 753 3HD2 LEU 11 3HD2 LEU 11 58.313 5.959 -6.545 754 H LEU 12 H LEU 12 55.748 6.729 -9.112 755 HA LEU 12 HA LEU 12 54.640 5.686 -10.984 756 1HB LEU 12 1HB LEU 12 54.524 3.199 -10.229 757 2HB LEU 12 2HB LEU 12 56.074 4.032 -10.126 758 HG LEU 12 HG LEU 12 54.262 4.155 -7.752 759 1HD1 LEU 12 1HD1 LEU 12 55.752 1.721 -8.721 760 2HD1 LEU 12 2HD1 LEU 12 55.486 1.995 -6.999 761 3HD1 LEU 12 3HD1 LEU 12 54.108 1.826 -8.088 762 1HD2 LEU 12 1HD2 LEU 12 56.894 4.911 -8.401 763 2HD2 LEU 12 2HD2 LEU 12 56.160 4.933 -6.801 764 3HD2 LEU 12 3HD2 LEU 12 57.063 3.517 -7.337 765 H GLY 13 H GLY 13 52.533 6.974 -10.686 766 1HA GLY 13 1HA GLY 13 50.306 5.112 -10.643 767 2HA GLY 13 2HA GLY 13 50.299 6.177 -9.236 768 H ALA 14 H ALA 14 48.327 7.177 -10.034 769 HA ALA 14 HA ALA 14 47.771 8.292 -12.510 770 1HB ALA 14 1HB ALA 14 46.475 8.304 -10.281 771 2HB ALA 14 2HB ALA 14 47.369 9.778 -9.906 772 3HB ALA 14 3HB ALA 14 46.296 9.728 -11.306 773 H ARG 15 H ARG 15 49.678 9.064 -13.578 774 HA ARG 15 HA ARG 15 50.433 11.822 -12.888 775 1HB ARG 15 1HB ARG 15 51.795 9.724 -11.707 776 2HB ARG 15 2HB ARG 15 52.800 10.088 -13.109 777 1HG ARG 15 1HG ARG 15 53.676 11.598 -11.588 778 2HG ARG 15 2HG ARG 15 52.411 12.592 -12.311 779 1HD ARG 15 1HD ARG 15 51.282 11.015 -10.167 780 2HD ARG 15 2HD ARG 15 52.681 11.934 -9.574 781 HE ARG 15 HE ARG 15 51.599 13.951 -10.707 782 1HH1 ARG 15 1HH2 ARG 15 50.153 13.075 -8.184 783 2HH1 ARG 15 2HH2 ARG 15 48.504 13.092 -8.714 784 1HH2 ARG 15 1HH1 ARG 15 49.312 13.157 -12.086 785 2HH2 ARG 15 2HH1 ARG 15 48.028 13.139 -10.924 786 H ALA 16 H ALA 16 51.340 12.885 -14.698 787 HA ALA 16 HA ALA 16 51.350 11.297 -17.231 788 1HB ALA 16 1HB ALA 16 50.095 13.632 -16.474 789 2HB ALA 16 2HB ALA 16 51.516 14.239 -17.325 790 3HB ALA 16 3HB ALA 16 50.393 13.154 -18.145 791 H LYS 17 H LYS 17 53.228 11.185 -18.467 792 HA LYS 17 HA LYS 17 55.466 13.025 -18.083 793 1HB LYS 17 1HB LYS 17 56.976 11.238 -17.186 794 2HB LYS 17 2HB LYS 17 55.660 11.631 -16.079 795 1HG LYS 17 1HG LYS 17 54.684 9.587 -16.313 796 2HG LYS 17 2HG LYS 17 55.033 9.512 -18.041 797 1HD LYS 17 1HD LYS 17 57.434 9.390 -16.348 798 2HD LYS 17 2HD LYS 17 56.329 8.036 -16.108 799 1HE LYS 17 1HE LYS 17 57.108 8.928 -18.892 800 2HE LYS 17 2HE LYS 17 58.094 7.769 -17.979 801 1HZ LYS 17 1HZ LYS 17 55.168 7.518 -18.433 802 2HZ LYS 17 2HZ LYS 17 56.354 6.670 -19.305 803 3HZ LYS 17 3HZ LYS 17 56.165 6.393 -17.642 Start of MODEL 28 1 1H MET 1 1H MET 1 65.291 -17.456 16.206 2 2H MET 1 2H MET 1 64.662 -18.557 17.332 3 3H MET 1 3H MET 1 65.469 -19.126 15.948 4 HA MET 1 HA MET 1 63.725 -18.412 14.514 5 1HB MET 1 1HB MET 1 63.382 -20.121 16.858 6 2HB MET 1 2HB MET 1 61.839 -19.512 16.258 7 1HG MET 1 1HG MET 1 62.377 -20.314 14.000 8 2HG MET 1 2HG MET 1 63.947 -20.887 14.565 9 1HE MET 1 1HE MET 1 64.526 -22.673 15.392 10 2HE MET 1 2HE MET 1 63.622 -24.062 16.011 11 3HE MET 1 3HE MET 1 63.696 -23.756 14.278 12 H ASP 2 H ASP 2 63.990 -15.924 15.182 13 HA ASP 2 HA ASP 2 61.680 -15.015 16.835 14 1HB ASP 2 1HB ASP 2 64.379 -14.132 16.210 15 2HB ASP 2 2HB ASP 2 63.212 -12.839 15.926 16 H ASP 3 H ASP 3 60.229 -15.758 14.961 17 HA ASP 3 HA ASP 3 60.295 -13.903 12.625 18 1HB ASP 3 1HB ASP 3 59.977 -16.614 12.862 19 2HB ASP 3 2HB ASP 3 58.298 -16.077 12.791 20 H ILE 4 H ILE 4 58.293 -12.822 11.999 21 HA ILE 4 HA ILE 4 55.900 -12.859 13.598 22 HB ILE 4 HB ILE 4 57.313 -11.906 15.304 23 1HG1 ILE 4 1HG1 ILE 4 55.792 -9.692 13.889 24 2HG1 ILE 4 2HG1 ILE 4 55.104 -10.834 15.043 25 1HG2 ILE 4 1HG2 ILE 4 59.061 -11.197 13.540 26 2HG2 ILE 4 2HG2 ILE 4 58.123 -9.712 13.395 27 3HG2 ILE 4 3HG2 ILE 4 58.855 -10.144 14.940 28 1HD1 ILE 4 1HD1 ILE 4 57.376 -8.926 15.671 29 2HD1 ILE 4 2HD1 ILE 4 55.687 -8.636 16.084 30 3HD1 ILE 4 3HD1 ILE 4 56.551 -9.990 16.811 31 H TYR 5 H TYR 5 58.036 -10.735 11.671 32 HA TYR 5 HA TYR 5 55.657 -9.520 10.363 33 1HB TYR 5 1HB TYR 5 58.603 -8.939 10.584 34 2HB TYR 5 2HB TYR 5 57.651 -8.172 9.312 35 HD1 TYR 5 HD1 TYR 5 55.374 -7.090 10.098 36 HD2 TYR 5 HD2 TYR 5 58.696 -7.925 12.691 37 HE1 TYR 5 HE1 TYR 5 54.517 -5.432 11.730 38 HE2 TYR 5 HE2 TYR 5 57.838 -6.267 14.324 39 HH TYR 5 HH TYR 5 56.205 -4.040 13.991 40 H LYS 6 H LYS 6 58.734 -11.111 9.430 41 HA LYS 6 HA LYS 6 58.373 -11.301 6.666 42 1HB LYS 6 1HB LYS 6 59.577 -13.135 8.745 43 2HB LYS 6 2HB LYS 6 59.686 -13.504 7.023 44 1HG LYS 6 1HG LYS 6 60.707 -11.259 6.644 45 2HG LYS 6 2HG LYS 6 60.688 -10.989 8.387 46 1HD LYS 6 1HD LYS 6 62.497 -12.308 8.722 47 2HD LYS 6 2HD LYS 6 61.896 -13.554 7.628 48 1HE LYS 6 1HE LYS 6 62.658 -12.251 5.685 49 2HE LYS 6 2HE LYS 6 63.221 -10.958 6.762 50 1HZ LYS 6 1HZ LYS 6 64.391 -12.966 7.940 51 2HZ LYS 6 2HZ LYS 6 64.287 -13.668 6.399 52 3HZ LYS 6 3HZ LYS 6 65.118 -12.201 6.608 53 H ALA 7 H ALA 7 56.721 -13.065 9.214 54 HA ALA 7 HA ALA 7 55.681 -15.248 7.693 55 1HB ALA 7 1HB ALA 7 54.848 -13.695 10.142 56 2HB ALA 7 2HB ALA 7 53.839 -15.007 9.532 57 3HB ALA 7 3HB ALA 7 55.494 -15.334 10.045 58 H ALA 8 H ALA 8 54.287 -12.019 8.383 59 HA ALA 8 HA ALA 8 51.849 -12.310 6.970 60 1HB ALA 8 1HB ALA 8 53.700 -10.020 7.630 61 2HB ALA 8 2HB ALA 8 52.203 -9.739 6.741 62 3HB ALA 8 3HB ALA 8 52.149 -10.424 8.365 63 H VAL 9 H VAL 9 55.106 -11.523 5.815 64 HA VAL 9 HA VAL 9 54.409 -10.714 3.155 65 HB VAL 9 HB VAL 9 56.892 -12.159 4.136 66 1HG1 VAL 9 1HG1 VAL 9 56.723 -11.832 1.687 67 2HG1 VAL 9 2HG1 VAL 9 56.465 -10.106 1.943 68 3HG1 VAL 9 3HG1 VAL 9 58.007 -10.842 2.381 69 1HG2 VAL 9 1HG2 VAL 9 55.824 -9.891 5.267 70 2HG2 VAL 9 2HG2 VAL 9 57.538 -10.298 5.269 71 3HG2 VAL 9 3HG2 VAL 9 56.890 -9.213 4.039 72 H GLU 10 H GLU 10 55.489 -13.884 4.423 73 HA GLU 10 HA GLU 10 55.298 -15.367 2.016 74 1HB GLU 10 1HB GLU 10 55.740 -15.769 4.791 75 2HB GLU 10 2HB GLU 10 54.478 -16.905 4.315 76 1HG GLU 10 1HG GLU 10 56.391 -16.940 2.234 77 2HG GLU 10 2HG GLU 10 57.302 -17.006 3.743 78 H GLN 11 H GLN 11 52.792 -14.283 4.235 79 HA GLN 11 HA GLN 11 50.735 -15.951 2.885 80 1HB GLN 11 1HB GLN 11 50.532 -13.978 5.183 81 2HB GLN 11 2HB GLN 11 49.341 -15.201 4.739 82 1HG GLN 11 1HG GLN 11 50.630 -16.952 5.547 83 2HG GLN 11 2HG GLN 11 52.145 -16.079 5.321 84 1HE2 GLN 11 2HE2 GLN 11 49.326 -14.626 6.918 85 2HE2 GLN 11 1HE2 GLN 11 50.024 -14.557 8.465 86 H LEU 12 H LEU 12 52.195 -13.434 1.757 87 HA LEU 12 HA LEU 12 50.175 -11.367 1.532 88 1HB LEU 12 1HB LEU 12 52.831 -12.068 0.353 89 2HB LEU 12 2HB LEU 12 51.849 -10.877 -0.501 90 HG LEU 12 HG LEU 12 52.665 -10.742 2.417 91 1HD1 LEU 12 1HD1 LEU 12 54.364 -10.255 0.502 92 2HD1 LEU 12 2HD1 LEU 12 53.406 -8.798 0.237 93 3HD1 LEU 12 3HD1 LEU 12 54.193 -9.065 1.793 94 1HD2 LEU 12 1HD2 LEU 12 50.605 -9.375 0.827 95 2HD2 LEU 12 2HD2 LEU 12 50.801 -9.455 2.577 96 3HD2 LEU 12 3HD2 LEU 12 51.705 -8.265 1.641 97 H THR 13 H THR 13 49.111 -10.785 -0.540 98 HA THR 13 HA THR 13 48.089 -13.189 -1.939 99 HB THR 13 HB THR 13 46.367 -11.654 -2.684 100 HG1 THR 13 HG1 THR 13 47.583 -9.473 -1.464 101 1HG2 THR 13 1HG2 THR 13 46.587 -12.347 -0.175 102 2HG2 THR 13 2HG2 THR 13 47.006 -10.653 0.079 103 3HG2 THR 13 3HG2 THR 13 45.441 -11.081 -0.611 104 H GLU 14 H GLU 14 47.816 -12.943 -4.395 105 HA GLU 14 HA GLU 14 50.374 -12.493 -5.643 106 1HB GLU 14 1HB GLU 14 48.577 -14.097 -6.347 107 2HB GLU 14 2HB GLU 14 47.603 -12.719 -6.861 108 1HG GLU 14 1HG GLU 14 48.824 -13.683 -8.774 109 2HG GLU 14 2HG GLU 14 49.385 -12.045 -8.435 110 H GLU 15 H GLU 15 47.374 -10.585 -5.469 111 HA GLU 15 HA GLU 15 48.088 -8.548 -7.340 112 1HB GLU 15 1HB GLU 15 45.830 -8.836 -6.540 113 2HB GLU 15 2HB GLU 15 46.338 -8.614 -4.865 114 1HG GLU 15 1HG GLU 15 46.330 -6.354 -5.041 115 2HG GLU 15 2HG GLU 15 47.102 -6.388 -6.627 116 H GLN 16 H GLN 16 48.488 -8.671 -3.781 117 HA GLN 16 HA GLN 16 49.726 -6.131 -3.459 118 1HB GLN 16 1HB GLN 16 48.820 -7.558 -1.658 119 2HB GLN 16 2HB GLN 16 50.101 -8.737 -1.947 120 1HG GLN 16 1HG GLN 16 51.359 -7.598 -0.464 121 2HG GLN 16 2HG GLN 16 51.439 -6.292 -1.647 122 1HE2 GLN 16 2HE2 GLN 16 48.965 -7.535 0.689 123 2HE2 GLN 16 1HE2 GLN 16 48.542 -5.999 1.274 124 H LYS 17 H LYS 17 51.324 -9.344 -3.612 125 HA LYS 17 HA LYS 17 53.994 -8.610 -3.628 126 1HB LYS 17 1HB LYS 17 52.358 -10.811 -4.412 127 2HB LYS 17 2HB LYS 17 53.548 -10.557 -5.690 128 1HG LYS 17 1HG LYS 17 55.047 -11.627 -4.394 129 2HG LYS 17 2HG LYS 17 54.980 -10.247 -3.297 130 1HD LYS 17 1HD LYS 17 53.319 -11.266 -1.939 131 2HD LYS 17 2HD LYS 17 52.955 -12.483 -3.162 132 1HE LYS 17 1HE LYS 17 55.778 -12.419 -2.233 133 2HE LYS 17 2HE LYS 17 54.585 -12.980 -1.047 134 1HZ LYS 17 1HZ LYS 17 53.854 -14.068 -3.496 135 2HZ LYS 17 2HZ LYS 17 55.529 -14.310 -3.360 136 3HZ LYS 17 3HZ LYS 17 54.484 -14.890 -2.153 137 H ASN 18 H ASN 18 51.651 -8.177 -6.228 138 HA ASN 18 HA ASN 18 53.607 -7.511 -8.277 139 1HB ASN 18 1HB ASN 18 50.624 -7.329 -7.904 140 2HB ASN 18 2HB ASN 18 51.388 -6.612 -9.323 141 1HD2 ASN 18 2HD2 ASN 18 49.715 -9.260 -8.692 142 2HD2 ASN 18 1HD2 ASN 18 50.570 -10.430 -9.576 143 H GLU 19 H GLU 19 51.919 -5.708 -5.775 144 HA GLU 19 HA GLU 19 52.478 -3.095 -7.005 145 1HB GLU 19 1HB GLU 19 51.288 -2.259 -5.089 146 2HB GLU 19 2HB GLU 19 50.470 -3.739 -5.585 147 1HG GLU 19 1HG GLU 19 50.813 -4.613 -3.545 148 2HG GLU 19 2HG GLU 19 52.555 -4.462 -3.773 149 H PHE 20 H PHE 20 54.052 -5.276 -4.801 150 HA PHE 20 HA PHE 20 55.736 -3.302 -3.485 151 1HB PHE 20 1HB PHE 20 55.421 -6.254 -3.671 152 2HB PHE 20 2HB PHE 20 57.015 -5.672 -3.186 153 HD1 PHE 20 HD1 PHE 20 56.936 -3.666 -1.406 154 HD2 PHE 20 HD2 PHE 20 53.841 -6.587 -1.991 155 HE1 PHE 20 HE1 PHE 20 56.081 -3.220 0.879 156 HE2 PHE 20 HE2 PHE 20 52.986 -6.141 0.294 157 HZ PHE 20 HZ PHE 20 54.106 -4.456 1.729 158 H LYS 21 H LYS 21 56.257 -5.660 -6.128 159 HA LYS 21 HA LYS 21 58.952 -5.216 -6.712 160 1HB LYS 21 1HB LYS 21 56.481 -5.981 -8.176 161 2HB LYS 21 2HB LYS 21 57.845 -5.494 -9.182 162 1HG LYS 21 1HG LYS 21 58.731 -7.538 -8.885 163 2HG LYS 21 2HG LYS 21 58.919 -7.162 -7.171 164 1HD LYS 21 1HD LYS 21 57.136 -8.437 -6.570 165 2HD LYS 21 2HD LYS 21 56.175 -7.908 -7.952 166 1HE LYS 21 1HE LYS 21 58.339 -9.481 -8.966 167 2HE LYS 21 2HE LYS 21 57.571 -10.386 -7.646 168 1HZ LYS 21 1HZ LYS 21 55.396 -9.592 -8.695 169 2HZ LYS 21 2HZ LYS 21 56.324 -9.262 -10.079 170 3HZ LYS 21 3HZ LYS 21 56.227 -10.847 -9.476 171 H ALA 22 H ALA 22 56.152 -3.217 -7.608 172 HA ALA 22 HA ALA 22 57.425 -1.430 -9.411 173 1HB ALA 22 1HB ALA 22 54.945 -1.802 -8.175 174 2HB ALA 22 2HB ALA 22 55.454 -0.198 -7.644 175 3HB ALA 22 3HB ALA 22 55.333 -0.561 -9.367 176 H ALA 23 H ALA 23 56.748 -0.845 -5.929 177 HA ALA 23 HA ALA 23 58.239 1.535 -5.653 178 1HB ALA 23 1HB ALA 23 56.649 0.116 -4.079 179 2HB ALA 23 2HB ALA 23 58.174 -0.544 -3.488 180 3HB ALA 23 3HB ALA 23 57.862 1.188 -3.376 181 H PHE 24 H PHE 24 59.321 -1.837 -5.119 182 HA PHE 24 HA PHE 24 61.973 -1.335 -4.304 183 1HB PHE 24 1HB PHE 24 60.980 -3.527 -4.220 184 2HB PHE 24 2HB PHE 24 60.691 -3.523 -5.961 185 HD1 PHE 24 HD1 PHE 24 62.666 -3.534 -7.542 186 HD2 PHE 24 HD2 PHE 24 63.074 -4.212 -3.320 187 HE1 PHE 24 HE1 PHE 24 64.905 -4.533 -7.919 188 HE2 PHE 24 HE2 PHE 24 65.313 -5.211 -3.696 189 HZ PHE 24 HZ PHE 24 66.228 -5.371 -5.996 190 H ASP 25 H ASP 25 60.704 -1.723 -7.628 191 HA ASP 25 HA ASP 25 63.156 -1.500 -9.034 192 1HB ASP 25 1HB ASP 25 60.253 -0.993 -9.560 193 2HB ASP 25 2HB ASP 25 61.421 -0.468 -10.772 194 H ILE 26 H ILE 26 60.840 1.079 -8.123 195 HA ILE 26 HA ILE 26 62.376 3.237 -9.253 196 HB ILE 26 HB ILE 26 60.156 2.931 -7.233 197 1HG1 ILE 26 1HG1 ILE 26 59.129 4.451 -9.141 198 2HG1 ILE 26 2HG1 ILE 26 60.468 3.802 -10.088 199 1HG2 ILE 26 1HG2 ILE 26 61.895 5.273 -7.678 200 2HG2 ILE 26 2HG2 ILE 26 60.170 5.612 -7.815 201 3HG2 ILE 26 3HG2 ILE 26 60.816 4.913 -6.331 202 1HD1 ILE 26 1HD1 ILE 26 58.426 2.138 -8.583 203 2HD1 ILE 26 2HD1 ILE 26 58.432 2.412 -10.325 204 3HD1 ILE 26 3HD1 ILE 26 59.746 1.509 -9.571 205 H PHE 27 H PHE 27 62.307 1.737 -6.031 206 HA PHE 27 HA PHE 27 63.981 3.714 -4.745 207 1HB PHE 27 1HB PHE 27 62.849 1.017 -4.216 208 2HB PHE 27 2HB PHE 27 64.263 1.465 -3.261 209 HD1 PHE 27 HD1 PHE 27 62.038 4.077 -4.545 210 HD2 PHE 27 HD2 PHE 27 62.905 1.541 -1.187 211 HE1 PHE 27 HE1 PHE 27 60.615 5.503 -3.099 212 HE2 PHE 27 HE2 PHE 27 61.482 2.968 0.258 213 HZ PHE 27 HZ PHE 27 60.337 4.949 -0.698 214 H VAL 28 H VAL 28 64.679 1.246 -7.019 215 HA VAL 28 HA VAL 28 67.588 1.422 -6.325 216 HB VAL 28 HB VAL 28 67.751 -0.928 -6.838 217 1HG1 VAL 28 1HG1 VAL 28 66.705 -0.140 -4.610 218 2HG1 VAL 28 2HG1 VAL 28 65.177 -0.709 -5.285 219 3HG1 VAL 28 3HG1 VAL 28 66.511 -1.839 -5.044 220 1HG2 VAL 28 1HG2 VAL 28 65.421 -0.380 -8.391 221 2HG2 VAL 28 2HG2 VAL 28 66.372 -1.864 -8.349 222 3HG2 VAL 28 3HG2 VAL 28 65.016 -1.655 -7.242 223 H LEU 29 H LEU 29 65.829 2.892 -8.323 224 HA LEU 29 HA LEU 29 66.226 1.941 -10.972 225 1HB LEU 29 1HB LEU 29 65.150 4.156 -9.640 226 2HB LEU 29 2HB LEU 29 66.405 4.837 -10.675 227 HG LEU 29 HG LEU 29 64.145 3.020 -11.557 228 1HD1 LEU 29 1HD1 LEU 29 64.560 5.933 -11.464 229 2HD1 LEU 29 2HD1 LEU 29 64.057 5.334 -13.045 230 3HD1 LEU 29 3HD1 LEU 29 63.063 5.015 -11.625 231 1HD2 LEU 29 1HD2 LEU 29 66.383 2.698 -12.726 232 2HD2 LEU 29 2HD2 LEU 29 65.052 3.180 -13.777 233 3HD2 LEU 29 3HD2 LEU 29 66.249 4.370 -13.268 234 H GLY 30 H GLY 30 68.429 1.115 -11.074 235 1HA GLY 30 1HA GLY 30 70.477 1.874 -12.290 236 2HA GLY 30 2HA GLY 30 70.487 3.281 -11.226 237 H ALA 31 H ALA 31 69.516 0.761 -9.335 238 HA ALA 31 HA ALA 31 71.948 0.664 -7.814 239 1HB ALA 31 1HB ALA 31 69.341 0.050 -7.423 240 2HB ALA 31 2HB ALA 31 69.987 -1.571 -7.681 241 3HB ALA 31 3HB ALA 31 70.628 -0.563 -6.383 242 H GLU 32 H GLU 32 73.425 -1.139 -7.584 243 HA GLU 32 HA GLU 32 73.802 -2.669 -10.105 244 1HB GLU 32 1HB GLU 32 75.454 -1.908 -7.704 245 2HB GLU 32 2HB GLU 32 76.001 -3.195 -8.777 246 1HG GLU 32 1HG GLU 32 75.143 -1.026 -10.415 247 2HG GLU 32 2HG GLU 32 76.195 -0.364 -9.165 248 H ASP 33 H ASP 33 73.867 -3.310 -6.573 249 HA ASP 33 HA ASP 33 73.490 -6.201 -7.070 250 1HB ASP 33 1HB ASP 33 75.093 -5.292 -5.393 251 2HB ASP 33 2HB ASP 33 73.739 -4.574 -4.517 252 H GLY 34 H GLY 34 71.377 -3.829 -7.319 253 1HA GLY 34 1HA GLY 34 69.042 -3.718 -7.092 254 2HA GLY 34 2HA GLY 34 69.085 -5.426 -6.649 255 H CYS 35 H CYS 35 70.456 -2.509 -5.085 256 HA CYS 35 HA CYS 35 68.851 -3.207 -2.649 257 1HB CYS 35 1HB CYS 35 71.779 -2.464 -2.928 258 2HB CYS 35 2HB CYS 35 70.938 -2.549 -1.380 259 HG CYS 35 HG CYS 35 71.633 -4.944 -1.502 260 H ILE 36 H ILE 36 68.933 -1.237 -1.069 261 HA ILE 36 HA ILE 36 68.723 1.293 -2.674 262 HB ILE 36 HB ILE 36 67.167 0.344 -0.246 263 1HG1 ILE 36 1HG1 ILE 36 66.165 0.775 -3.069 264 2HG1 ILE 36 2HG1 ILE 36 66.741 -0.794 -2.504 265 1HG2 ILE 36 1HG2 ILE 36 67.391 2.932 -1.666 266 2HG2 ILE 36 2HG2 ILE 36 65.745 2.396 -1.328 267 3HG2 ILE 36 3HG2 ILE 36 66.896 2.598 -0.006 268 1HD1 ILE 36 1HD1 ILE 36 64.609 0.771 -1.039 269 2HD1 ILE 36 2HD1 ILE 36 64.225 -0.396 -2.306 270 3HD1 ILE 36 3HD1 ILE 36 65.039 -0.927 -0.835 271 H SER 37 H SER 37 69.215 3.266 -1.442 272 HA SER 37 HA SER 37 70.635 3.009 1.135 273 1HB SER 37 1HB SER 37 71.889 3.259 -1.537 274 2HB SER 37 2HB SER 37 72.548 4.300 -0.281 275 HG SER 37 HG SER 37 73.557 2.221 -0.373 276 H THR 38 H THR 38 68.312 4.436 0.081 277 HA THR 38 HA THR 38 67.316 6.554 0.453 278 HB THR 38 HB THR 38 68.424 8.036 1.861 279 HG1 THR 38 HG1 THR 38 70.207 8.838 1.175 280 1HG2 THR 38 1HG2 THR 38 68.826 5.363 2.407 281 2HG2 THR 38 2HG2 THR 38 70.450 6.033 2.558 282 3HG2 THR 38 3HG2 THR 38 69.132 6.687 3.530 283 H LYS 39 H LYS 39 70.607 6.843 -0.989 284 HA LYS 39 HA LYS 39 70.240 9.078 -2.610 285 1HB LYS 39 1HB LYS 39 71.972 8.082 -3.996 286 2HB LYS 39 2HB LYS 39 72.286 7.624 -2.323 287 1HG LYS 39 1HG LYS 39 70.858 5.517 -2.872 288 2HG LYS 39 2HG LYS 39 71.170 5.943 -4.556 289 1HD LYS 39 1HD LYS 39 73.671 6.183 -3.440 290 2HD LYS 39 2HD LYS 39 72.998 4.825 -2.537 291 1HE LYS 39 1HE LYS 39 72.236 3.982 -4.919 292 2HE LYS 39 2HE LYS 39 73.536 5.050 -5.486 293 1HZ LYS 39 1HZ LYS 39 74.915 3.994 -3.652 294 2HZ LYS 39 2HZ LYS 39 73.721 2.786 -3.588 295 3HZ LYS 39 3HZ LYS 39 74.599 3.033 -5.017 296 H GLU 40 H GLU 40 69.031 5.781 -3.109 297 HA GLU 40 HA GLU 40 67.776 6.522 -5.698 298 1HB GLU 40 1HB GLU 40 67.703 3.946 -4.086 299 2HB GLU 40 2HB GLU 40 67.287 4.132 -5.790 300 1HG GLU 40 1HG GLU 40 70.019 4.492 -4.536 301 2HG GLU 40 2HG GLU 40 69.527 3.224 -5.658 302 H LEU 41 H LEU 41 66.963 5.763 -2.354 303 HA LEU 41 HA LEU 41 64.090 5.666 -2.739 304 1HB LEU 41 1HB LEU 41 64.577 4.582 -0.802 305 2HB LEU 41 2HB LEU 41 66.127 5.399 -0.651 306 HG LEU 41 HG LEU 41 65.026 7.360 0.328 307 1HD1 LEU 41 1HD1 LEU 41 62.760 6.319 -0.945 308 2HD1 LEU 41 2HD1 LEU 41 62.428 6.142 0.778 309 3HD1 LEU 41 3HD1 LEU 41 62.815 7.728 0.115 310 1HD2 LEU 41 1HD2 LEU 41 65.526 5.049 1.600 311 2HD2 LEU 41 2HD2 LEU 41 64.802 6.429 2.428 312 3HD2 LEU 41 3HD2 LEU 41 63.780 5.112 1.849 313 H GLY 42 H GLY 42 66.312 8.138 -1.388 314 1HA GLY 42 1HA GLY 42 64.434 10.110 -0.731 315 2HA GLY 42 2HA GLY 42 66.067 10.474 -1.286 316 H LYS 43 H LYS 43 65.887 9.436 -3.911 317 HA LYS 43 HA LYS 43 65.015 11.552 -5.464 318 1HB LYS 43 1HB LYS 43 65.468 8.651 -5.793 319 2HB LYS 43 2HB LYS 43 64.462 9.378 -7.047 320 1HG LYS 43 1HG LYS 43 66.235 11.172 -7.288 321 2HG LYS 43 2HG LYS 43 67.259 10.202 -6.230 322 1HD LYS 43 1HD LYS 43 66.567 8.288 -7.959 323 2HD LYS 43 2HD LYS 43 66.379 9.678 -9.027 324 1HE LYS 43 1HE LYS 43 68.716 10.404 -8.325 325 2HE LYS 43 2HE LYS 43 68.881 8.820 -7.544 326 1HZ LYS 43 1HZ LYS 43 67.757 8.709 -10.196 327 2HZ LYS 43 2HZ LYS 43 69.352 9.294 -10.164 328 3HZ LYS 43 3HZ LYS 43 68.996 7.774 -9.504 329 H VAL 44 H VAL 44 63.006 9.093 -3.953 330 HA VAL 44 HA VAL 44 60.616 9.812 -5.520 331 HB VAL 44 HB VAL 44 61.396 7.870 -3.367 332 1HG1 VAL 44 1HG1 VAL 44 59.198 8.866 -2.674 333 2HG1 VAL 44 2HG1 VAL 44 58.527 8.366 -4.226 334 3HG1 VAL 44 3HG1 VAL 44 59.094 7.155 -3.075 335 1HG2 VAL 44 1HG2 VAL 44 60.791 7.873 -6.214 336 2HG2 VAL 44 2HG2 VAL 44 61.573 6.627 -5.241 337 3HG2 VAL 44 3HG2 VAL 44 59.815 6.684 -5.353 338 H MET 45 H MET 45 61.911 10.402 -2.263 339 HA MET 45 HA MET 45 59.798 11.368 -0.810 340 1HB MET 45 1HB MET 45 62.545 12.583 -1.224 341 2HB MET 45 2HB MET 45 61.471 13.017 0.107 342 1HG MET 45 1HG MET 45 62.541 10.240 -0.479 343 2HG MET 45 2HG MET 45 63.062 11.296 0.836 344 1HE MET 45 1HE MET 45 60.579 9.393 -0.915 345 2HE MET 45 2HE MET 45 60.600 8.181 0.360 346 3HE MET 45 3HE MET 45 59.158 9.163 0.110 347 H ARG 46 H ARG 46 61.638 13.439 -3.097 348 HA ARG 46 HA ARG 46 59.794 15.646 -2.931 349 1HB ARG 46 1HB ARG 46 61.094 16.427 -4.897 350 2HB ARG 46 2HB ARG 46 62.153 15.804 -3.632 351 1HG ARG 46 1HG ARG 46 63.021 14.358 -5.121 352 2HG ARG 46 2HG ARG 46 61.440 13.587 -5.246 353 1HD ARG 46 1HD ARG 46 60.833 14.842 -7.144 354 2HD ARG 46 2HD ARG 46 62.035 16.104 -6.805 355 HE ARG 46 HE ARG 46 62.941 13.332 -7.450 356 1HH1 ARG 46 1HH1 ARG 46 64.854 15.628 -7.004 357 2HH1 ARG 46 2HH1 ARG 46 65.229 16.092 -8.630 358 1HH2 ARG 46 1HH2 ARG 46 62.539 14.398 -10.016 359 2HH2 ARG 46 2HH2 ARG 46 63.918 15.397 -10.335 360 H MET 47 H MET 47 59.734 12.647 -4.677 361 HA MET 47 HA MET 47 57.892 13.579 -6.770 362 1HB MET 47 1HB MET 47 59.533 11.280 -6.113 363 2HB MET 47 2HB MET 47 57.914 10.765 -6.587 364 1HG MET 47 1HG MET 47 58.090 11.710 -8.716 365 2HG MET 47 2HG MET 47 59.344 12.845 -8.216 366 1HE MET 47 1HE MET 47 58.255 9.361 -8.436 367 2HE MET 47 2HE MET 47 59.589 8.406 -9.077 368 3HE MET 47 3HE MET 47 59.537 8.790 -7.358 369 H LEU 48 H LEU 48 57.693 11.866 -3.672 370 HA LEU 48 HA LEU 48 54.874 11.168 -3.959 371 1HB LEU 48 1HB LEU 48 56.770 11.293 -1.595 372 2HB LEU 48 2HB LEU 48 55.177 10.539 -1.564 373 HG LEU 48 HG LEU 48 57.566 9.714 -3.228 374 1HD1 LEU 48 1HD1 LEU 48 56.105 8.662 -0.846 375 2HD1 LEU 48 2HD1 LEU 48 56.730 7.487 -2.001 376 3HD1 LEU 48 3HD1 LEU 48 57.828 8.619 -1.214 377 1HD2 LEU 48 1HD2 LEU 48 54.669 9.295 -3.635 378 2HD2 LEU 48 2HD2 LEU 48 55.998 9.137 -4.782 379 3HD2 LEU 48 3HD2 LEU 48 55.633 7.817 -3.671 380 H GLY 49 H GLY 49 56.598 14.012 -3.081 381 1HA GLY 49 1HA GLY 49 55.307 16.114 -2.925 382 2HA GLY 49 2HA GLY 49 54.053 15.211 -2.071 383 H GLN 50 H GLN 50 57.357 14.513 -1.297 384 HA GLN 50 HA GLN 50 57.224 16.268 1.121 385 1HB GLN 50 1HB GLN 50 57.339 13.281 0.896 386 2HB GLN 50 2HB GLN 50 58.198 14.051 2.230 387 1HG GLN 50 1HG GLN 50 55.766 15.365 2.240 388 2HG GLN 50 2HG GLN 50 55.313 13.712 1.820 389 1HE2 GLN 50 1HE2 GLN 50 54.316 13.852 4.121 390 2HE2 GLN 50 2HE2 GLN 50 55.326 13.447 5.424 391 H ASN 51 H ASN 51 59.452 16.186 2.270 392 HA ASN 51 HA ASN 51 61.758 15.399 0.637 393 1HB ASN 51 1HB ASN 51 60.966 17.442 -0.488 394 2HB ASN 51 2HB ASN 51 61.009 18.314 1.044 395 1HD2 ASN 51 2HD2 ASN 51 62.748 18.071 -1.719 396 2HD2 ASN 51 1HD2 ASN 51 64.318 18.304 -1.115 397 HA PRO 52 HA PRO 52 62.426 15.779 5.204 398 1HB PRO 52 1HB PRO 52 63.479 13.273 5.520 399 2HB PRO 52 2HB PRO 52 61.737 13.604 5.589 400 1HG PRO 52 1HG PRO 52 63.363 12.481 3.366 401 2HG PRO 52 2HG PRO 52 61.727 12.060 3.894 402 1HD PRO 52 1HD PRO 52 62.266 13.632 1.722 403 2HD PRO 52 2HD PRO 52 60.762 13.729 2.664 404 H THR 53 H THR 53 64.765 14.516 6.144 405 HA THR 53 HA THR 53 66.854 15.916 4.522 406 HB THR 53 HB THR 53 68.033 16.080 6.648 407 HG1 THR 53 HG1 THR 53 67.606 14.757 8.214 408 1HG2 THR 53 1HG2 THR 53 65.930 17.528 6.086 409 2HG2 THR 53 2HG2 THR 53 65.168 16.608 7.384 410 3HG2 THR 53 3HG2 THR 53 66.598 17.585 7.717 411 HA PRO 54 HA PRO 54 68.874 12.119 3.678 412 1HB PRO 54 1HB PRO 54 71.505 12.857 3.795 413 2HB PRO 54 2HB PRO 54 70.425 13.340 2.472 414 1HG PRO 54 1HG PRO 54 71.342 14.900 4.831 415 2HG PRO 54 2HG PRO 54 71.068 15.428 3.164 416 1HD PRO 54 1HD PRO 54 69.317 15.880 5.222 417 2HD PRO 54 2HD PRO 54 68.840 15.788 3.513 418 H GLU 55 H GLU 55 69.734 13.855 6.608 419 HA GLU 55 HA GLU 55 71.377 11.874 7.860 420 1HB GLU 55 1HB GLU 55 69.556 14.090 8.813 421 2HB GLU 55 2HB GLU 55 70.489 13.112 9.947 422 1HG GLU 55 1HG GLU 55 72.289 14.397 9.546 423 2HG GLU 55 2HG GLU 55 72.257 13.884 7.858 424 H GLU 56 H GLU 56 67.843 12.414 7.935 425 HA GLU 56 HA GLU 56 67.389 10.100 9.678 426 1HB GLU 56 1HB GLU 56 66.067 12.287 9.546 427 2HB GLU 56 2HB GLU 56 65.396 11.676 8.033 428 1HG GLU 56 1HG GLU 56 64.271 9.912 9.089 429 2HG GLU 56 2HG GLU 56 65.318 9.969 10.508 430 H LEU 57 H LEU 57 67.448 10.745 6.226 431 HA LEU 57 HA LEU 57 65.857 8.775 5.102 432 1HB LEU 57 1HB LEU 57 68.223 10.287 4.441 433 2HB LEU 57 2HB LEU 57 68.374 8.653 3.793 434 HG LEU 57 HG LEU 57 65.996 10.489 3.379 435 1HD1 LEU 57 1HD1 LEU 57 68.475 9.921 1.828 436 2HD1 LEU 57 2HD1 LEU 57 66.972 10.029 0.912 437 3HD1 LEU 57 3HD1 LEU 57 67.504 11.391 1.898 438 1HD2 LEU 57 1HD2 LEU 57 66.655 7.698 2.393 439 2HD2 LEU 57 2HD2 LEU 57 65.278 8.181 3.385 440 3HD2 LEU 57 3HD2 LEU 57 65.377 8.696 1.701 441 H GLN 58 H GLN 58 69.187 8.289 6.341 442 HA GLN 58 HA GLN 58 69.405 5.510 5.859 443 1HB GLN 58 1HB GLN 58 70.862 7.542 7.058 444 2HB GLN 58 2HB GLN 58 70.526 6.456 8.407 445 1HG GLN 58 1HG GLN 58 71.606 5.481 5.754 446 2HG GLN 58 2HG GLN 58 72.651 5.946 7.097 447 1HE2 GLN 58 2HE2 GLN 58 72.266 3.207 5.935 448 2HE2 GLN 58 1HE2 GLN 58 71.728 2.238 7.220 449 H GLU 59 H GLU 59 67.823 7.276 8.496 450 HA GLU 59 HA GLU 59 67.332 5.175 10.317 451 1HB GLU 59 1HB GLU 59 66.859 7.695 10.449 452 2HB GLU 59 2HB GLU 59 65.375 7.358 9.558 453 1HG GLU 59 1HG GLU 59 65.592 5.463 11.694 454 2HG GLU 59 2HG GLU 59 65.835 7.079 12.357 455 H MET 60 H MET 60 65.442 6.178 7.454 456 HA MET 60 HA MET 60 63.259 4.408 7.668 457 1HB MET 60 1HB MET 60 64.634 6.018 5.666 458 2HB MET 60 2HB MET 60 63.967 4.548 4.954 459 1HG MET 60 1HG MET 60 61.882 5.289 6.514 460 2HG MET 60 2HG MET 60 62.565 6.874 6.151 461 1HE MET 60 1HE MET 60 61.493 8.068 4.840 462 2HE MET 60 2HE MET 60 62.585 7.923 3.465 463 3HE MET 60 3HE MET 60 60.846 7.780 3.218 464 H ILE 61 H ILE 61 66.535 3.834 6.417 465 HA ILE 61 HA ILE 61 66.011 1.129 5.501 466 HB ILE 61 HB ILE 61 68.417 2.864 6.061 467 1HG1 ILE 61 1HG1 ILE 61 68.650 2.214 3.513 468 2HG1 ILE 61 2HG1 ILE 61 66.940 1.810 3.668 469 1HG2 ILE 61 1HG2 ILE 61 68.338 -0.046 5.942 470 2HG2 ILE 61 2HG2 ILE 61 69.329 0.631 4.650 471 3HG2 ILE 61 3HG2 ILE 61 69.689 1.019 6.331 472 1HD1 ILE 61 1HD1 ILE 61 68.057 4.466 4.582 473 2HD1 ILE 61 2HD1 ILE 61 67.461 4.207 2.943 474 3HD1 ILE 61 3HD1 ILE 61 66.369 4.033 4.315 475 H ASP 62 H ASP 62 67.778 2.448 8.331 476 HA ASP 62 HA ASP 62 68.303 -0.027 9.626 477 1HB ASP 62 1HB ASP 62 68.236 2.857 10.227 478 2HB ASP 62 2HB ASP 62 67.977 1.832 11.639 479 H GLU 63 H GLU 63 65.377 1.885 9.409 480 HA GLU 63 HA GLU 63 63.949 0.943 11.680 481 1HB GLU 63 1HB GLU 63 63.458 2.256 9.102 482 2HB GLU 63 2HB GLU 63 62.089 1.284 9.646 483 1HG GLU 63 1HG GLU 63 63.164 2.735 11.886 484 2HG GLU 63 2HG GLU 63 62.846 3.858 10.563 485 H VAL 64 H VAL 64 64.118 -0.392 8.362 486 HA VAL 64 HA VAL 64 62.909 -2.924 9.429 487 HB VAL 64 HB VAL 64 62.212 -3.182 6.986 488 1HG1 VAL 64 1HG1 VAL 64 60.876 -2.110 8.990 489 2HG1 VAL 64 2HG1 VAL 64 61.103 -0.617 8.081 490 3HG1 VAL 64 3HG1 VAL 64 60.251 -1.976 7.347 491 1HG2 VAL 64 1HG2 VAL 64 63.999 -1.097 6.620 492 2HG2 VAL 64 2HG2 VAL 64 62.795 -1.624 5.444 493 3HG2 VAL 64 3HG2 VAL 64 62.434 -0.290 6.539 494 H ASP 65 H ASP 65 65.652 -2.637 9.747 495 HA ASP 65 HA ASP 65 66.814 -4.236 7.487 496 1HB ASP 65 1HB ASP 65 67.636 -1.855 8.152 497 2HB ASP 65 2HB ASP 65 68.353 -2.658 9.549 498 H GLU 66 H GLU 66 67.375 -6.317 8.009 499 HA GLU 66 HA GLU 66 67.383 -7.098 10.891 500 1HB GLU 66 1HB GLU 66 67.013 -8.516 8.248 501 2HB GLU 66 2HB GLU 66 67.263 -9.415 9.746 502 1HG GLU 66 1HG GLU 66 65.129 -7.291 9.482 503 2HG GLU 66 2HG GLU 66 64.826 -8.982 9.083 504 H ASP 67 H ASP 67 69.606 -6.108 8.685 505 HA ASP 67 HA ASP 67 71.738 -7.833 9.887 506 1HB ASP 67 1HB ASP 67 72.753 -7.705 7.511 507 2HB ASP 67 2HB ASP 67 71.361 -8.766 7.732 508 H GLY 68 H GLY 68 70.570 -4.772 9.555 509 1HA GLY 68 1HA GLY 68 71.542 -2.620 9.531 510 2HA GLY 68 2HA GLY 68 72.687 -3.373 10.644 511 H SER 69 H SER 69 72.171 -3.997 7.173 512 HA SER 69 HA SER 69 75.063 -3.889 6.696 513 1HB SER 69 1HB SER 69 74.309 -4.490 4.393 514 2HB SER 69 2HB SER 69 73.598 -5.536 5.619 515 HG SER 69 HG SER 69 72.345 -4.089 3.832 516 H GLY 70 H GLY 70 72.355 -1.714 6.432 517 1HA GLY 70 1HA GLY 70 72.891 0.705 6.271 518 2HA GLY 70 2HA GLY 70 74.156 0.280 5.118 519 H THR 71 H THR 71 72.644 -1.596 3.575 520 HA THR 71 HA THR 71 70.847 0.313 2.140 521 HB THR 71 HB THR 71 71.311 -1.161 0.225 522 HG1 THR 71 HG1 THR 71 72.615 -2.966 0.529 523 1HG2 THR 71 1HG2 THR 71 73.194 0.397 1.614 524 2HG2 THR 71 2HG2 THR 71 74.051 -1.074 1.155 525 3HG2 THR 71 3HG2 THR 71 73.265 -0.090 -0.080 526 H VAL 72 H VAL 72 68.985 -0.927 0.946 527 HA VAL 72 HA VAL 72 67.765 -2.893 2.861 528 HB VAL 72 HB VAL 72 66.592 -0.635 1.215 529 1HG1 VAL 72 1HG1 VAL 72 65.170 -2.759 2.851 530 2HG1 VAL 72 2HG1 VAL 72 64.401 -1.335 2.149 531 3HG1 VAL 72 3HG1 VAL 72 65.089 -2.574 1.099 532 1HG2 VAL 72 1HG2 VAL 72 67.671 -0.098 3.414 533 2HG2 VAL 72 2HG2 VAL 72 65.942 0.249 3.389 534 3HG2 VAL 72 3HG2 VAL 72 66.539 -1.202 4.195 535 H ASP 73 H ASP 73 66.432 -4.553 1.871 536 HA ASP 73 HA ASP 73 66.875 -4.909 -1.076 537 1HB ASP 73 1HB ASP 73 68.184 -6.285 0.817 538 2HB ASP 73 2HB ASP 73 66.708 -7.251 0.772 539 H PHE 74 H PHE 74 65.288 -6.692 -1.900 540 HA PHE 74 HA PHE 74 62.605 -5.866 -1.584 541 1HB PHE 74 1HB PHE 74 63.846 -7.365 -3.326 542 2HB PHE 74 2HB PHE 74 63.423 -8.692 -2.245 543 HD1 PHE 74 HD1 PHE 74 60.970 -9.008 -1.604 544 HD2 PHE 74 HD2 PHE 74 62.245 -6.451 -4.811 545 HE1 PHE 74 HE1 PHE 74 58.679 -9.057 -2.552 546 HE2 PHE 74 HE2 PHE 74 59.954 -6.501 -5.761 547 HZ PHE 74 HZ PHE 74 58.172 -7.804 -4.632 548 H ASP 75 H ASP 75 64.554 -7.817 0.499 549 HA ASP 75 HA ASP 75 62.314 -9.221 1.781 550 1HB ASP 75 1HB ASP 75 65.248 -8.874 2.483 551 2HB ASP 75 2HB ASP 75 64.152 -10.028 3.246 552 H GLU 76 H GLU 76 64.537 -6.550 2.631 553 HA GLU 76 HA GLU 76 63.250 -6.060 5.204 554 1HB GLU 76 1HB GLU 76 65.304 -4.692 3.464 555 2HB GLU 76 2HB GLU 76 64.750 -3.962 4.972 556 1HG GLU 76 1HG GLU 76 65.509 -5.843 6.259 557 2HG GLU 76 2HG GLU 76 65.825 -6.787 4.803 558 H PHE 77 H PHE 77 62.892 -4.861 1.919 559 HA PHE 77 HA PHE 77 61.484 -2.433 2.464 560 1HB PHE 77 1HB PHE 77 62.500 -3.187 0.299 561 2HB PHE 77 2HB PHE 77 61.199 -4.368 0.143 562 HD1 PHE 77 HD1 PHE 77 58.770 -3.476 0.241 563 HD2 PHE 77 HD2 PHE 77 62.196 -0.986 -0.475 564 HE1 PHE 77 HE1 PHE 77 57.301 -1.738 -0.740 565 HE2 PHE 77 HE2 PHE 77 60.727 0.753 -1.457 566 HZ PHE 77 HZ PHE 77 58.279 0.377 -1.590 567 H LEU 78 H LEU 78 60.244 -5.719 1.733 568 HA LEU 78 HA LEU 78 57.485 -5.218 1.877 569 1HB LEU 78 1HB LEU 78 59.254 -7.545 2.636 570 2HB LEU 78 2HB LEU 78 57.497 -7.663 2.744 571 HG LEU 78 HG LEU 78 58.731 -6.626 0.215 572 1HD1 LEU 78 1HD1 LEU 78 59.794 -8.875 1.065 573 2HD1 LEU 78 2HD1 LEU 78 58.247 -9.569 0.585 574 3HD1 LEU 78 3HD1 LEU 78 59.254 -8.749 -0.609 575 1HD2 LEU 78 1HD2 LEU 78 56.145 -7.139 1.117 576 2HD2 LEU 78 2HD2 LEU 78 56.622 -6.901 -0.564 577 3HD2 LEU 78 3HD2 LEU 78 56.515 -8.531 0.100 578 H VAL 79 H VAL 79 59.780 -5.805 4.535 579 HA VAL 79 HA VAL 79 57.901 -5.963 6.673 580 HB VAL 79 HB VAL 79 60.747 -4.914 6.552 581 1HG1 VAL 79 1HG1 VAL 79 58.889 -4.932 8.695 582 2HG1 VAL 79 2HG1 VAL 79 60.030 -6.240 9.006 583 3HG1 VAL 79 3HG1 VAL 79 60.618 -4.593 8.775 584 1HG2 VAL 79 1HG2 VAL 79 60.262 -7.265 5.680 585 2HG2 VAL 79 2HG2 VAL 79 61.426 -7.167 7.003 586 3HG2 VAL 79 3HG2 VAL 79 59.766 -7.673 7.323 587 H MET 80 H MET 80 58.945 -3.273 4.761 588 HA MET 80 HA MET 80 58.451 -1.173 6.699 589 1HB MET 80 1HB MET 80 59.740 -1.363 4.353 590 2HB MET 80 2HB MET 80 58.202 -0.737 3.757 591 1HG MET 80 1HG MET 80 58.657 1.323 4.545 592 2HG MET 80 2HG MET 80 59.034 0.684 6.145 593 1HE MET 80 1HE MET 80 60.182 1.901 2.784 594 2HE MET 80 2HE MET 80 61.854 1.374 2.604 595 3HE MET 80 3HE MET 80 60.551 0.190 2.528 596 H MET 81 H MET 81 56.499 -2.716 4.146 597 HA MET 81 HA MET 81 54.225 -0.918 4.562 598 1HB MET 81 1HB MET 81 55.030 -3.196 2.841 599 2HB MET 81 2HB MET 81 53.295 -3.030 3.115 600 1HG MET 81 1HG MET 81 53.914 -1.741 1.139 601 2HG MET 81 2HG MET 81 53.458 -0.632 2.433 602 1HE MET 81 1HE MET 81 54.700 0.756 0.359 603 2HE MET 81 2HE MET 81 54.656 1.523 1.945 604 3HE MET 81 3HE MET 81 56.137 1.573 0.992 605 H VAL 82 H VAL 82 55.142 -4.199 5.568 606 HA VAL 82 HA VAL 82 52.611 -4.996 6.646 607 HB VAL 82 HB VAL 82 55.345 -5.767 7.689 608 1HG1 VAL 82 1HG1 VAL 82 52.602 -6.827 7.806 609 2HG1 VAL 82 2HG1 VAL 82 53.812 -8.028 7.355 610 3HG1 VAL 82 3HG1 VAL 82 53.973 -7.139 8.869 611 1HG2 VAL 82 1HG2 VAL 82 54.415 -5.867 4.976 612 2HG2 VAL 82 2HG2 VAL 82 55.928 -6.490 5.635 613 3HG2 VAL 82 3HG2 VAL 82 54.493 -7.515 5.602 614 H ARG 83 H ARG 83 55.361 -3.246 8.081 615 HA ARG 83 HA ARG 83 54.472 -3.213 10.785 616 1HB ARG 83 1HB ARG 83 56.217 -1.527 9.016 617 2HB ARG 83 2HB ARG 83 55.858 -0.963 10.649 618 1HG ARG 83 1HG ARG 83 56.546 -3.344 11.402 619 2HG ARG 83 2HG ARG 83 57.282 -3.484 9.804 620 1HD ARG 83 1HD ARG 83 59.102 -2.505 10.782 621 2HD ARG 83 2HD ARG 83 58.170 -1.000 10.662 622 HE ARG 83 HE ARG 83 58.214 -2.767 13.076 623 1HH1 ARG 83 1HH2 ARG 83 59.576 -0.137 13.218 624 2HH1 ARG 83 2HH2 ARG 83 58.354 0.889 13.894 625 1HH2 ARG 83 1HH1 ARG 83 55.758 -1.300 13.195 626 2HH2 ARG 83 2HH1 ARG 83 56.194 0.229 13.883 627 H CYS 84 H CYS 84 53.515 -1.270 7.999 628 HA CYS 84 HA CYS 84 51.842 0.476 9.747 629 1HB CYS 84 1HB CYS 84 52.402 0.641 6.772 630 2HB CYS 84 2HB CYS 84 51.795 1.926 7.816 631 HG CYS 84 HG CYS 84 54.150 2.503 8.282 632 H MET 85 H MET 85 51.522 -2.419 8.152 633 HA MET 85 HA MET 85 48.814 -1.916 7.052 634 1HB MET 85 1HB MET 85 50.916 -4.030 6.968 635 2HB MET 85 2HB MET 85 49.248 -4.558 6.745 636 1HG MET 85 1HG MET 85 49.117 -2.549 5.066 637 2HG MET 85 2HG MET 85 50.876 -2.680 5.054 638 1HE MET 85 1HE MET 85 47.666 -4.318 5.057 639 2HE MET 85 2HE MET 85 47.610 -5.358 3.628 640 3HE MET 85 3HE MET 85 48.195 -5.994 5.163 641 H LYS 86 H LYS 86 50.152 -4.470 9.186 642 HA LYS 86 HA LYS 86 47.532 -4.535 10.617 643 1HB LYS 86 1HB LYS 86 49.875 -6.445 10.365 644 2HB LYS 86 2HB LYS 86 48.475 -6.756 11.393 645 1HG LYS 86 1HG LYS 86 47.023 -6.984 9.581 646 2HG LYS 86 2HG LYS 86 48.054 -6.035 8.509 647 1HD LYS 86 1HD LYS 86 49.704 -7.844 8.448 648 2HD LYS 86 2HD LYS 86 48.732 -8.791 9.575 649 1HE LYS 86 1HE LYS 86 46.930 -8.117 7.546 650 2HE LYS 86 2HE LYS 86 48.431 -8.515 6.687 651 1HZ LYS 86 1HZ LYS 86 47.220 -10.154 8.852 652 2HZ LYS 86 2HZ LYS 86 47.105 -10.505 7.194 653 3HZ LYS 86 3HZ LYS 86 48.616 -10.538 7.962 654 H ASP 87 H ASP 87 47.575 -4.641 12.983 655 HA ASP 87 HA ASP 87 48.312 -3.896 15.102 656 1HB ASP 87 1HB ASP 87 50.591 -5.106 13.663 657 2HB ASP 87 2HB ASP 87 51.049 -4.054 15.003 658 H ASP 88 H ASP 88 47.584 -1.681 14.438 659 HA ASP 88 HA ASP 88 49.661 0.178 13.456 660 1HB ASP 88 1HB ASP 88 46.880 -0.060 13.317 661 2HB ASP 88 2HB ASP 88 47.137 1.305 14.407 662 H SER 89 H SER 89 49.873 -1.148 16.174 663 HA SER 89 HA SER 89 50.429 -0.522 18.387 664 1HB SER 89 1HB SER 89 51.646 1.126 16.493 665 2HB SER 89 2HB SER 89 50.985 2.258 17.669 666 HG SER 89 HG SER 89 53.184 0.947 17.908 667 1H ARG 1 1H ARG 1 58.317 4.434 7.026 668 2H ARG 1 2H ARG 1 58.715 5.697 8.090 669 3H ARG 1 3H ARG 1 57.783 4.390 8.639 670 HA ARG 1 HA ARG 1 55.929 5.035 7.280 671 1HB ARG 1 1HB ARG 1 56.942 6.292 9.495 672 2HB ARG 1 2HB ARG 1 56.744 7.652 8.390 673 1HG ARG 1 1HG ARG 1 54.422 7.276 8.152 674 2HG ARG 1 2HG ARG 1 54.536 5.638 8.799 675 1HD ARG 1 1HD ARG 1 55.077 8.162 10.407 676 2HD ARG 1 2HD ARG 1 53.580 7.211 10.478 677 HE ARG 1 HE ARG 1 55.060 5.253 11.152 678 1HH1 ARG 1 1HH1 ARG 1 57.210 7.693 10.734 679 2HH1 ARG 1 2HH1 ARG 1 57.830 7.712 12.350 680 1HH2 ARG 1 1HH2 ARG 1 55.359 5.625 13.604 681 2HH2 ARG 1 2HH2 ARG 1 56.782 6.538 13.977 682 H ILE 2 H ILE 2 55.571 5.587 5.165 683 HA ILE 2 HA ILE 2 56.864 8.032 4.071 684 HB ILE 2 HB ILE 2 58.317 6.020 3.659 685 1HG1 ILE 2 1HG1 ILE 2 56.994 7.339 1.269 686 2HG1 ILE 2 2HG1 ILE 2 58.446 7.883 2.109 687 1HG2 ILE 2 1HG2 ILE 2 56.123 4.580 3.396 688 2HG2 ILE 2 2HG2 ILE 2 56.240 5.074 1.707 689 3HG2 ILE 2 3HG2 ILE 2 57.557 4.172 2.455 690 1HD1 ILE 2 1HD1 ILE 2 58.677 5.107 1.253 691 2HD1 ILE 2 2HD1 ILE 2 58.365 6.185 -0.107 692 3HD1 ILE 2 3HD1 ILE 2 59.757 6.466 0.940 693 H SER 3 H SER 3 54.183 7.893 4.699 694 HA SER 3 HA SER 3 52.000 7.993 3.772 695 1HB SER 3 1HB SER 3 53.989 9.318 2.151 696 2HB SER 3 2HB SER 3 52.712 8.691 1.114 697 HG SER 3 HG SER 3 51.963 9.944 3.489 698 H ALA 4 H ALA 4 52.192 5.464 3.915 699 HA ALA 4 HA ALA 4 52.792 3.745 1.805 700 1HB ALA 4 1HB ALA 4 51.219 3.783 4.220 701 2HB ALA 4 2HB ALA 4 50.356 2.878 2.977 702 3HB ALA 4 3HB ALA 4 51.992 2.406 3.436 703 H ASP 5 H ASP 5 49.564 5.213 2.388 704 HA ASP 5 HA ASP 5 48.520 4.327 -0.171 705 1HB ASP 5 1HB ASP 5 47.640 5.537 2.273 706 2HB ASP 5 2HB ASP 5 47.048 6.514 0.927 707 H ALA 6 H ALA 6 50.043 7.300 1.003 708 HA ALA 6 HA ALA 6 49.338 8.924 -1.297 709 1HB ALA 6 1HB ALA 6 50.808 9.092 1.206 710 2HB ALA 6 2HB ALA 6 51.675 9.915 -0.092 711 3HB ALA 6 3HB ALA 6 50.018 10.379 0.295 712 H MET 7 H MET 7 51.967 6.705 -0.538 713 HA MET 7 HA MET 7 53.854 7.536 -2.517 714 1HB MET 7 1HB MET 7 54.240 5.992 -0.597 715 2HB MET 7 2HB MET 7 53.258 4.773 -1.411 716 1HG MET 7 1HG MET 7 54.955 5.322 -3.415 717 2HG MET 7 2HG MET 7 56.003 5.739 -2.059 718 1HE MET 7 1HE MET 7 55.697 3.707 -4.426 719 2HE MET 7 2HE MET 7 57.169 3.055 -3.693 720 3HE MET 7 3HE MET 7 55.782 2.005 -3.977 721 H MET 8 H MET 8 51.006 5.431 -2.702 722 HA MET 8 HA MET 8 51.578 4.425 -5.366 723 1HB MET 8 1HB MET 8 49.285 4.474 -3.429 724 2HB MET 8 2HB MET 8 48.980 3.974 -5.094 725 1HG MET 8 1HG MET 8 49.520 2.027 -3.674 726 2HG MET 8 2HG MET 8 50.754 2.269 -4.911 727 1HE MET 8 1HE MET 8 52.705 2.445 -4.805 728 2HE MET 8 2HE MET 8 53.484 3.717 -3.867 729 3HE MET 8 3HE MET 8 53.724 2.030 -3.420 730 H GLN 9 H GLN 9 50.474 7.441 -4.195 731 HA GLN 9 HA GLN 9 48.809 8.103 -6.529 732 1HB GLN 9 1HB GLN 9 49.856 9.614 -4.121 733 2HB GLN 9 2HB GLN 9 48.798 10.340 -5.332 734 1HG GLN 9 1HG GLN 9 47.919 7.729 -4.218 735 2HG GLN 9 2HG GLN 9 47.855 9.108 -3.120 736 1HE2 GLN 9 2HE2 GLN 9 45.895 7.465 -5.170 737 2HE2 GLN 9 1HE2 GLN 9 44.902 8.727 -5.721 738 H ALA 10 H ALA 10 51.866 9.428 -5.171 739 HA ALA 10 HA ALA 10 52.431 10.849 -7.684 740 1HB ALA 10 1HB ALA 10 53.035 11.095 -4.965 741 2HB ALA 10 2HB ALA 10 54.576 10.675 -5.719 742 3HB ALA 10 3HB ALA 10 53.681 12.094 -6.268 743 H LEU 11 H LEU 11 54.195 8.405 -5.752 744 HA LEU 11 HA LEU 11 56.239 7.855 -7.619 745 1HB LEU 11 1HB LEU 11 55.141 6.827 -5.169 746 2HB LEU 11 2HB LEU 11 55.561 5.484 -6.224 747 HG LEU 11 HG LEU 11 57.417 7.782 -5.584 748 1HD1 LEU 11 1HD1 LEU 11 56.912 5.138 -4.278 749 2HD1 LEU 11 2HD1 LEU 11 58.579 5.705 -4.381 750 3HD1 LEU 11 3HD1 LEU 11 57.367 6.679 -3.550 751 1HD2 LEU 11 1HD2 LEU 11 57.482 6.083 -7.719 752 2HD2 LEU 11 2HD2 LEU 11 58.922 6.790 -6.989 753 3HD2 LEU 11 3HD2 LEU 11 58.416 5.162 -6.540 754 H LEU 12 H LEU 12 53.905 5.274 -6.970 755 HA LEU 12 HA LEU 12 53.783 4.767 -9.916 756 1HB LEU 12 1HB LEU 12 53.148 2.901 -7.612 757 2HB LEU 12 2HB LEU 12 53.436 2.458 -9.290 758 HG LEU 12 HG LEU 12 55.512 1.962 -8.437 759 1HD1 LEU 12 1HD1 LEU 12 55.520 4.248 -9.905 760 2HD1 LEU 12 2HD1 LEU 12 56.308 4.812 -8.432 761 3HD1 LEU 12 3HD1 LEU 12 56.981 3.453 -9.328 762 1HD2 LEU 12 1HD2 LEU 12 54.623 3.727 -6.274 763 2HD2 LEU 12 2HD2 LEU 12 55.628 2.281 -6.205 764 3HD2 LEU 12 3HD2 LEU 12 56.354 3.842 -6.592 765 H GLY 13 H GLY 13 51.922 5.699 -10.707 766 1HA GLY 13 1HA GLY 13 49.477 5.751 -9.053 767 2HA GLY 13 2HA GLY 13 49.669 6.501 -10.638 768 H ALA 14 H ALA 14 47.991 4.136 -9.164 769 HA ALA 14 HA ALA 14 48.188 2.180 -11.413 770 1HB ALA 14 1HB ALA 14 47.579 2.154 -8.543 771 2HB ALA 14 2HB ALA 14 46.435 1.207 -9.494 772 3HB ALA 14 3HB ALA 14 48.159 0.846 -9.575 773 H ARG 15 H ARG 15 45.912 4.339 -9.751 774 HA ARG 15 HA ARG 15 43.734 5.033 -10.361 775 1HB ARG 15 1HB ARG 15 45.097 5.865 -12.244 776 2HB ARG 15 2HB ARG 15 44.921 4.311 -13.063 777 1HG ARG 15 1HG ARG 15 43.286 5.824 -14.003 778 2HG ARG 15 2HG ARG 15 42.423 4.654 -13.004 779 1HD ARG 15 1HD ARG 15 41.477 6.672 -12.270 780 2HD ARG 15 2HD ARG 15 42.805 6.479 -11.108 781 HE ARG 15 HE ARG 15 44.174 7.949 -12.617 782 1HH1 ARG 15 1HH1 ARG 15 41.448 7.549 -14.390 783 2HH1 ARG 15 2HH1 ARG 15 41.025 9.224 -14.515 784 1HH2 ARG 15 1HH2 ARG 15 43.332 10.258 -12.142 785 2HH2 ARG 15 2HH2 ARG 15 42.092 10.758 -13.243 786 H ALA 16 H ALA 16 42.724 3.148 -9.324 787 HA ALA 16 HA ALA 16 42.345 0.593 -10.442 788 1HB ALA 16 1HB ALA 16 40.706 2.390 -8.652 789 2HB ALA 16 2HB ALA 16 40.172 0.754 -9.037 790 3HB ALA 16 3HB ALA 16 41.702 1.007 -8.197 791 H LYS 17 H LYS 17 40.197 -0.244 -11.339 792 HA LYS 17 HA LYS 17 38.951 1.749 -13.206 793 1HB LYS 17 1HB LYS 17 40.454 -0.724 -13.664 794 2HB LYS 17 2HB LYS 17 38.881 -0.733 -14.465 795 1HG LYS 17 1HG LYS 17 40.090 0.361 -16.091 796 2HG LYS 17 2HG LYS 17 39.639 1.756 -15.110 797 1HD LYS 17 1HD LYS 17 41.875 0.993 -13.798 798 2HD LYS 17 2HD LYS 17 42.283 0.438 -15.423 799 1HE LYS 17 1HE LYS 17 41.104 3.052 -15.628 800 2HE LYS 17 2HE LYS 17 42.416 3.102 -14.434 801 1HZ LYS 17 1HZ LYS 17 42.738 1.641 -16.979 802 2HZ LYS 17 2HZ LYS 17 43.034 3.312 -16.902 803 3HZ LYS 17 3HZ LYS 17 43.938 2.242 -15.941 Start of MODEL 29 1 1H MET 1 1H MET 1 63.815 -12.366 18.925 2 2H MET 1 2H MET 1 64.528 -13.839 19.383 3 3H MET 1 3H MET 1 65.478 -12.618 18.686 4 HA MET 1 HA MET 1 65.176 -13.716 16.760 5 1HB MET 1 1HB MET 1 63.336 -15.083 18.598 6 2HB MET 1 2HB MET 1 62.815 -15.155 16.914 7 1HG MET 1 1HG MET 1 64.928 -16.103 16.229 8 2HG MET 1 2HG MET 1 65.617 -15.849 17.832 9 1HE MET 1 1HE MET 1 63.401 -17.522 15.523 10 2HE MET 1 2HE MET 1 64.582 -18.817 15.750 11 3HE MET 1 3HE MET 1 62.904 -19.056 16.233 12 H ASP 2 H ASP 2 63.819 -13.444 14.817 13 HA ASP 2 HA ASP 2 62.096 -11.039 15.011 14 1HB ASP 2 1HB ASP 2 62.336 -11.115 12.541 15 2HB ASP 2 2HB ASP 2 63.906 -11.217 13.340 16 H ASP 3 H ASP 3 59.904 -11.282 15.163 17 HA ASP 3 HA ASP 3 58.591 -13.534 13.720 18 1HB ASP 3 1HB ASP 3 59.248 -13.750 16.350 19 2HB ASP 3 2HB ASP 3 57.657 -13.001 16.487 20 H ILE 4 H ILE 4 56.018 -13.168 14.513 21 HA ILE 4 HA ILE 4 54.147 -11.792 14.075 22 HB ILE 4 HB ILE 4 56.031 -9.764 15.321 23 1HG1 ILE 4 1HG1 ILE 4 54.091 -10.979 17.101 24 2HG1 ILE 4 2HG1 ILE 4 55.109 -12.216 16.362 25 1HG2 ILE 4 1HG2 ILE 4 53.128 -9.837 14.684 26 2HG2 ILE 4 2HG2 ILE 4 53.566 -9.181 16.262 27 3HG2 ILE 4 3HG2 ILE 4 54.223 -8.458 14.793 28 1HD1 ILE 4 1HD1 ILE 4 56.220 -9.708 17.644 29 2HD1 ILE 4 2HD1 ILE 4 56.028 -11.233 18.510 30 3HD1 ILE 4 3HD1 ILE 4 57.117 -11.135 17.126 31 H TYR 5 H TYR 5 56.546 -11.859 12.105 32 HA TYR 5 HA TYR 5 55.655 -9.482 10.515 33 1HB TYR 5 1HB TYR 5 58.424 -10.413 11.272 34 2HB TYR 5 2HB TYR 5 58.166 -9.423 9.834 35 HD1 TYR 5 HD1 TYR 5 56.148 -7.524 10.506 36 HD2 TYR 5 HD2 TYR 5 59.258 -9.105 13.013 37 HE1 TYR 5 HE1 TYR 5 56.041 -5.491 11.924 38 HE2 TYR 5 HE2 TYR 5 59.151 -7.071 14.428 39 HH TYR 5 HH TYR 5 56.690 -5.021 14.516 40 H LYS 6 H LYS 6 57.628 -12.477 10.348 41 HA LYS 6 HA LYS 6 57.445 -12.862 7.538 42 1HB LYS 6 1HB LYS 6 57.964 -14.517 9.976 43 2HB LYS 6 2HB LYS 6 57.703 -15.362 8.450 44 1HG LYS 6 1HG LYS 6 59.955 -15.014 8.214 45 2HG LYS 6 2HG LYS 6 59.415 -13.447 7.611 46 1HD LYS 6 1HD LYS 6 59.557 -13.439 10.508 47 2HD LYS 6 2HD LYS 6 61.106 -13.908 9.807 48 1HE LYS 6 1HE LYS 6 59.522 -11.446 8.978 49 2HE LYS 6 2HE LYS 6 60.931 -11.432 10.059 50 1HZ LYS 6 1HZ LYS 6 61.868 -12.922 8.079 51 2HZ LYS 6 2HZ LYS 6 60.802 -11.940 7.192 52 3HZ LYS 6 3HZ LYS 6 62.040 -11.233 8.112 53 H ALA 7 H ALA 7 55.042 -13.192 9.993 54 HA ALA 7 HA ALA 7 53.386 -15.204 8.733 55 1HB ALA 7 1HB ALA 7 53.510 -13.917 11.139 56 2HB ALA 7 2HB ALA 7 52.146 -13.085 10.393 57 3HB ALA 7 3HB ALA 7 52.106 -14.837 10.597 58 H ALA 8 H ALA 8 53.122 -11.625 8.877 59 HA ALA 8 HA ALA 8 50.925 -11.394 7.062 60 1HB ALA 8 1HB ALA 8 53.055 -9.690 8.246 61 2HB ALA 8 2HB ALA 8 52.283 -9.059 6.792 62 3HB ALA 8 3HB ALA 8 51.310 -9.439 8.214 63 H VAL 9 H VAL 9 54.454 -11.261 6.532 64 HA VAL 9 HA VAL 9 54.447 -10.673 3.756 65 HB VAL 9 HB VAL 9 56.325 -12.456 5.342 66 1HG1 VAL 9 1HG1 VAL 9 56.341 -11.343 2.637 67 2HG1 VAL 9 2HG1 VAL 9 57.773 -10.889 3.562 68 3HG1 VAL 9 3HG1 VAL 9 57.369 -12.591 3.341 69 1HG2 VAL 9 1HG2 VAL 9 55.632 -9.688 5.673 70 2HG2 VAL 9 2HG2 VAL 9 56.832 -10.629 6.559 71 3HG2 VAL 9 3HG2 VAL 9 57.289 -9.790 5.076 72 H GLU 10 H GLU 10 54.923 -13.918 5.222 73 HA GLU 10 HA GLU 10 54.640 -15.450 2.876 74 1HB GLU 10 1HB GLU 10 53.967 -15.916 5.788 75 2HB GLU 10 2HB GLU 10 53.810 -17.199 4.587 76 1HG GLU 10 1HG GLU 10 56.315 -16.143 4.047 77 2HG GLU 10 2HG GLU 10 56.227 -16.081 5.808 78 H GLN 11 H GLN 11 52.214 -13.757 4.724 79 HA GLN 11 HA GLN 11 49.977 -15.212 3.427 80 1HB GLN 11 1HB GLN 11 50.365 -13.196 5.621 81 2HB GLN 11 2HB GLN 11 48.768 -13.370 4.894 82 1HG GLN 11 1HG GLN 11 48.973 -15.869 5.311 83 2HG GLN 11 2HG GLN 11 50.399 -15.506 6.283 84 1HE2 GLN 11 2HE2 GLN 11 49.886 -15.377 8.463 85 2HE2 GLN 11 1HE2 GLN 11 48.430 -14.775 9.093 86 H LEU 12 H LEU 12 52.019 -13.076 2.221 87 HA LEU 12 HA LEU 12 50.268 -10.913 1.343 88 1HB LEU 12 1HB LEU 12 53.064 -11.891 0.825 89 2HB LEU 12 2HB LEU 12 52.373 -10.658 -0.230 90 HG LEU 12 HG LEU 12 52.686 -10.492 2.780 91 1HD1 LEU 12 1HD1 LEU 12 53.921 -8.954 0.476 92 2HD1 LEU 12 2HD1 LEU 12 54.126 -8.544 2.178 93 3HD1 LEU 12 3HD1 LEU 12 54.757 -10.069 1.556 94 1HD2 LEU 12 1HD2 LEU 12 50.981 -9.026 0.856 95 2HD2 LEU 12 2HD2 LEU 12 50.816 -9.194 2.603 96 3HD2 LEU 12 3HD2 LEU 12 51.931 -8.003 1.934 97 H THR 13 H THR 13 49.322 -10.690 -0.723 98 HA THR 13 HA THR 13 49.055 -13.222 -2.279 99 HB THR 13 HB THR 13 47.166 -11.711 -3.302 100 HG1 THR 13 HG1 THR 13 46.540 -10.092 -1.824 101 1HG2 THR 13 1HG2 THR 13 46.856 -13.651 -1.748 102 2HG2 THR 13 2HG2 THR 13 47.014 -12.536 -0.390 103 3HG2 THR 13 3HG2 THR 13 45.663 -12.373 -1.512 104 H GLU 14 H GLU 14 49.548 -13.261 -4.515 105 HA GLU 14 HA GLU 14 51.690 -11.885 -5.581 106 1HB GLU 14 1HB GLU 14 49.259 -13.235 -6.637 107 2HB GLU 14 2HB GLU 14 50.165 -12.255 -7.790 108 1HG GLU 14 1HG GLU 14 51.934 -13.684 -7.807 109 2HG GLU 14 2HG GLU 14 51.835 -13.977 -6.070 110 H GLU 15 H GLU 15 48.267 -10.863 -5.763 111 HA GLU 15 HA GLU 15 48.537 -8.547 -7.341 112 1HB GLU 15 1HB GLU 15 46.586 -9.835 -5.877 113 2HB GLU 15 2HB GLU 15 46.764 -8.316 -4.998 114 1HG GLU 15 1HG GLU 15 46.610 -7.150 -7.271 115 2HG GLU 15 2HG GLU 15 46.071 -8.702 -7.915 116 H GLN 16 H GLN 16 48.830 -8.838 -3.783 117 HA GLN 16 HA GLN 16 49.455 -6.103 -3.258 118 1HB GLN 16 1HB GLN 16 48.762 -7.889 -1.635 119 2HB GLN 16 2HB GLN 16 50.366 -8.605 -1.800 120 1HG GLN 16 1HG GLN 16 50.909 -7.251 -0.054 121 2HG GLN 16 2HG GLN 16 50.993 -5.988 -1.283 122 1HE2 GLN 16 2HE2 GLN 16 49.188 -7.142 1.474 123 2HE2 GLN 16 1HE2 GLN 16 48.017 -5.914 1.475 124 H LYS 17 H LYS 17 51.739 -8.879 -3.294 125 HA LYS 17 HA LYS 17 54.165 -7.573 -3.149 126 1HB LYS 17 1HB LYS 17 53.138 -9.959 -4.648 127 2HB LYS 17 2HB LYS 17 54.803 -9.447 -4.925 128 1HG LYS 17 1HG LYS 17 55.423 -9.807 -2.687 129 2HG LYS 17 2HG LYS 17 53.753 -9.768 -2.122 130 1HD LYS 17 1HD LYS 17 54.687 -12.079 -2.165 131 2HD LYS 17 2HD LYS 17 53.290 -11.895 -3.226 132 1HE LYS 17 1HE LYS 17 54.531 -12.494 -5.022 133 2HE LYS 17 2HE LYS 17 55.718 -11.223 -4.662 134 1HZ LYS 17 1HZ LYS 17 55.586 -13.700 -3.054 135 2HZ LYS 17 2HZ LYS 17 56.494 -13.641 -4.489 136 3HZ LYS 17 3HZ LYS 17 56.869 -12.600 -3.198 137 H ASN 18 H ASN 18 52.247 -8.034 -6.138 138 HA ASN 18 HA ASN 18 53.949 -6.838 -8.014 139 1HB ASN 18 1HB ASN 18 50.969 -6.991 -7.620 140 2HB ASN 18 2HB ASN 18 51.623 -6.102 -8.997 141 1HD2 ASN 18 2HD2 ASN 18 50.244 -8.929 -8.585 142 2HD2 ASN 18 1HD2 ASN 18 51.226 -9.949 -9.524 143 H GLU 19 H GLU 19 52.022 -5.315 -5.493 144 HA GLU 19 HA GLU 19 52.327 -2.601 -6.543 145 1HB GLU 19 1HB GLU 19 50.533 -3.711 -4.966 146 2HB GLU 19 2HB GLU 19 51.690 -3.321 -3.692 147 1HG GLU 19 1HG GLU 19 51.679 -0.964 -4.999 148 2HG GLU 19 2HG GLU 19 50.042 -1.504 -5.373 149 H PHE 20 H PHE 20 53.784 -4.498 -3.884 150 HA PHE 20 HA PHE 20 55.575 -2.436 -2.981 151 1HB PHE 20 1HB PHE 20 55.730 -5.467 -2.837 152 2HB PHE 20 2HB PHE 20 56.643 -4.351 -1.822 153 HD1 PHE 20 HD1 PHE 20 54.197 -2.315 -1.760 154 HD2 PHE 20 HD2 PHE 20 54.663 -6.488 -0.851 155 HE1 PHE 20 HE1 PHE 20 52.287 -2.186 -0.187 156 HE2 PHE 20 HE2 PHE 20 52.753 -6.356 0.724 157 HZ PHE 20 HZ PHE 20 51.564 -4.206 1.056 158 H LYS 21 H LYS 21 56.142 -5.295 -5.078 159 HA LYS 21 HA LYS 21 58.852 -4.867 -5.685 160 1HB LYS 21 1HB LYS 21 58.432 -6.351 -7.490 161 2HB LYS 21 2HB LYS 21 57.181 -6.748 -6.313 162 1HG LYS 21 1HG LYS 21 55.836 -6.521 -8.165 163 2HG LYS 21 2HG LYS 21 55.875 -4.828 -7.669 164 1HD LYS 21 1HD LYS 21 58.075 -4.786 -9.146 165 2HD LYS 21 2HD LYS 21 57.315 -6.175 -9.924 166 1HE LYS 21 1HE LYS 21 55.421 -3.979 -9.494 167 2HE LYS 21 2HE LYS 21 56.782 -3.519 -10.538 168 1HZ LYS 21 1HZ LYS 21 56.369 -5.889 -11.517 169 2HZ LYS 21 2HZ LYS 21 54.802 -5.659 -10.903 170 3HZ LYS 21 3HZ LYS 21 55.436 -4.574 -12.046 171 H ALA 22 H ALA 22 56.023 -3.126 -6.813 172 HA ALA 22 HA ALA 22 57.296 -1.821 -9.073 173 1HB ALA 22 1HB ALA 22 54.747 -2.130 -7.981 174 2HB ALA 22 2HB ALA 22 55.084 -0.410 -7.776 175 3HB ALA 22 3HB ALA 22 55.154 -1.138 -9.382 176 H ALA 23 H ALA 23 56.273 -0.534 -5.880 177 HA ALA 23 HA ALA 23 57.561 1.974 -6.052 178 1HB ALA 23 1HB ALA 23 55.978 0.686 -4.284 179 2HB ALA 23 2HB ALA 23 57.521 0.529 -3.445 180 3HB ALA 23 3HB ALA 23 56.896 2.128 -3.849 181 H PHE 24 H PHE 24 58.845 -1.193 -5.113 182 HA PHE 24 HA PHE 24 61.392 -0.255 -4.129 183 1HB PHE 24 1HB PHE 24 60.476 -2.433 -3.560 184 2HB PHE 24 2HB PHE 24 60.396 -2.889 -5.262 185 HD1 PHE 24 HD1 PHE 24 62.478 -3.290 -6.557 186 HD2 PHE 24 HD2 PHE 24 62.552 -2.507 -2.335 187 HE1 PHE 24 HE1 PHE 24 64.802 -4.147 -6.440 188 HE2 PHE 24 HE2 PHE 24 64.876 -3.364 -2.217 189 HZ PHE 24 HZ PHE 24 66.000 -4.185 -4.269 190 H ASP 25 H ASP 25 60.145 -1.064 -7.327 191 HA ASP 25 HA ASP 25 62.676 -1.254 -8.690 192 1HB ASP 25 1HB ASP 25 60.222 -1.936 -9.320 193 2HB ASP 25 2HB ASP 25 60.106 -0.284 -9.927 194 H ILE 26 H ILE 26 60.336 1.437 -8.328 195 HA ILE 26 HA ILE 26 61.874 3.369 -9.794 196 HB ILE 26 HB ILE 26 59.719 3.489 -7.676 197 1HG1 ILE 26 1HG1 ILE 26 58.648 4.501 -9.934 198 2HG1 ILE 26 2HG1 ILE 26 59.874 3.454 -10.650 199 1HG2 ILE 26 1HG2 ILE 26 61.278 5.680 -8.990 200 2HG2 ILE 26 2HG2 ILE 26 59.548 5.922 -8.748 201 3HG2 ILE 26 3HG2 ILE 26 60.596 5.609 -7.365 202 1HD1 ILE 26 1HD1 ILE 26 58.063 2.430 -8.472 203 2HD1 ILE 26 2HD1 ILE 26 57.535 2.434 -10.154 204 3HD1 ILE 26 3HD1 ILE 26 58.963 1.513 -9.680 205 H PHE 27 H PHE 27 62.058 2.173 -6.516 206 HA PHE 27 HA PHE 27 63.395 4.346 -5.245 207 1HB PHE 27 1HB PHE 27 63.280 1.353 -4.894 208 2HB PHE 27 2HB PHE 27 64.263 2.346 -3.820 209 HD1 PHE 27 HD1 PHE 27 61.412 4.088 -5.143 210 HD2 PHE 27 HD2 PHE 27 62.657 1.393 -2.038 211 HE1 PHE 27 HE1 PHE 27 59.392 4.671 -3.827 212 HE2 PHE 27 HE2 PHE 27 60.638 1.978 -0.723 213 HZ PHE 27 HZ PHE 27 59.005 3.616 -1.617 214 H VAL 28 H VAL 28 64.737 1.485 -6.936 215 HA VAL 28 HA VAL 28 67.477 2.578 -6.686 216 HB VAL 28 HB VAL 28 68.112 0.391 -7.433 217 1HG1 VAL 28 1HG1 VAL 28 67.071 0.527 -5.159 218 2HG1 VAL 28 2HG1 VAL 28 65.532 0.057 -5.879 219 3HG1 VAL 28 3HG1 VAL 28 66.896 -1.060 -5.907 220 1HG2 VAL 28 1HG2 VAL 28 65.234 0.120 -8.353 221 2HG2 VAL 28 2HG2 VAL 28 66.656 0.236 -9.389 222 3HG2 VAL 28 3HG2 VAL 28 66.418 -1.187 -8.375 223 H LEU 29 H LEU 29 65.138 1.765 -9.257 224 HA LEU 29 HA LEU 29 65.151 2.302 -11.562 225 1HB LEU 29 1HB LEU 29 65.693 4.650 -9.867 226 2HB LEU 29 2HB LEU 29 66.118 4.877 -11.564 227 HG LEU 29 HG LEU 29 63.452 3.772 -10.664 228 1HD1 LEU 29 1HD1 LEU 29 64.331 6.356 -10.222 229 2HD1 LEU 29 2HD1 LEU 29 63.513 6.486 -11.780 230 3HD1 LEU 29 3HD1 LEU 29 62.643 5.870 -10.375 231 1HD2 LEU 29 1HD2 LEU 29 64.774 4.411 -13.243 232 2HD2 LEU 29 2HD2 LEU 29 63.521 3.222 -12.885 233 3HD2 LEU 29 3HD2 LEU 29 63.090 4.918 -13.101 234 H GLY 30 H GLY 30 67.843 4.486 -11.085 235 1HA GLY 30 1HA GLY 30 69.422 2.866 -12.989 236 2HA GLY 30 2HA GLY 30 69.771 4.528 -12.511 237 H ALA 31 H ALA 31 69.242 1.620 -10.508 238 HA ALA 31 HA ALA 31 71.569 2.302 -8.857 239 1HB ALA 31 1HB ALA 31 69.291 0.401 -8.892 240 2HB ALA 31 2HB ALA 31 70.736 -0.157 -8.049 241 3HB ALA 31 3HB ALA 31 69.948 1.340 -7.550 242 H GLU 32 H GLU 32 73.146 0.402 -8.363 243 HA GLU 32 HA GLU 32 74.100 -0.693 -10.970 244 1HB GLU 32 1HB GLU 32 76.250 -0.693 -9.923 245 2HB GLU 32 2HB GLU 32 75.478 0.803 -9.398 246 1HG GLU 32 1HG GLU 32 74.836 -0.218 -7.280 247 2HG GLU 32 2HG GLU 32 75.469 -1.778 -7.807 248 H ASP 33 H ASP 33 73.017 -1.626 -7.751 249 HA ASP 33 HA ASP 33 73.203 -4.503 -8.587 250 1HB ASP 33 1HB ASP 33 74.117 -3.022 -6.173 251 2HB ASP 33 2HB ASP 33 73.398 -4.607 -5.889 252 H GLY 34 H GLY 34 70.943 -2.510 -8.710 253 1HA GLY 34 1HA GLY 34 68.672 -2.372 -8.114 254 2HA GLY 34 2HA GLY 34 68.780 -4.128 -7.990 255 H CYS 35 H CYS 35 70.075 -1.402 -6.051 256 HA CYS 35 HA CYS 35 68.738 -2.610 -3.659 257 1HB CYS 35 1HB CYS 35 70.874 -2.180 -2.435 258 2HB CYS 35 2HB CYS 35 71.084 -3.327 -3.758 259 HG CYS 35 HG CYS 35 72.782 -1.772 -4.652 260 H ILE 36 H ILE 36 68.709 -0.972 -1.804 261 HA ILE 36 HA ILE 36 68.440 1.811 -2.905 262 HB ILE 36 HB ILE 36 66.961 0.462 -0.622 263 1HG1 ILE 36 1HG1 ILE 36 65.603 1.171 -3.172 264 2HG1 ILE 36 2HG1 ILE 36 66.683 -0.225 -3.220 265 1HG2 ILE 36 1HG2 ILE 36 66.961 3.181 -1.829 266 2HG2 ILE 36 2HG2 ILE 36 65.389 2.501 -1.412 267 3HG2 ILE 36 3HG2 ILE 36 66.626 2.685 -0.170 268 1HD1 ILE 36 1HD1 ILE 36 65.007 -0.232 -0.833 269 2HD1 ILE 36 2HD1 ILE 36 64.046 -0.227 -2.312 270 3HD1 ILE 36 3HD1 ILE 36 65.239 -1.496 -2.040 271 H SER 37 H SER 37 69.047 3.535 -1.453 272 HA SER 37 HA SER 37 70.400 2.903 1.097 273 1HB SER 37 1HB SER 37 71.796 2.726 -1.257 274 2HB SER 37 2HB SER 37 72.081 4.399 -0.796 275 HG SER 37 HG SER 37 73.032 3.741 1.048 276 H THR 38 H THR 38 68.156 4.503 0.373 277 HA THR 38 HA THR 38 67.258 6.616 0.962 278 HB THR 38 HB THR 38 68.478 7.905 2.460 279 HG1 THR 38 HG1 THR 38 70.872 7.877 2.287 280 1HG2 THR 38 1HG2 THR 38 68.819 5.175 2.712 281 2HG2 THR 38 2HG2 THR 38 70.461 5.797 2.882 282 3HG2 THR 38 3HG2 THR 38 69.184 6.374 3.953 283 H LYS 39 H LYS 39 70.559 7.144 -0.380 284 HA LYS 39 HA LYS 39 70.004 9.422 -1.930 285 1HB LYS 39 1HB LYS 39 72.228 8.371 -1.573 286 2HB LYS 39 2HB LYS 39 71.746 7.023 -2.602 287 1HG LYS 39 1HG LYS 39 73.027 8.543 -3.969 288 2HG LYS 39 2HG LYS 39 71.338 8.696 -4.452 289 1HD LYS 39 1HD LYS 39 71.080 10.757 -3.330 290 2HD LYS 39 2HD LYS 39 72.522 10.503 -2.347 291 1HE LYS 39 1HE LYS 39 73.694 10.438 -4.761 292 2HE LYS 39 2HE LYS 39 72.302 11.461 -5.169 293 1HZ LYS 39 1HZ LYS 39 73.727 11.958 -2.652 294 2HZ LYS 39 2HZ LYS 39 74.436 12.503 -4.097 295 3HZ LYS 39 3HZ LYS 39 72.893 13.048 -3.653 296 H GLU 40 H GLU 40 69.281 6.026 -2.529 297 HA GLU 40 HA GLU 40 68.210 6.540 -5.234 298 1HB GLU 40 1HB GLU 40 68.319 4.117 -3.401 299 2HB GLU 40 2HB GLU 40 67.751 4.075 -5.070 300 1HG GLU 40 1HG GLU 40 69.930 3.558 -5.505 301 2HG GLU 40 2HG GLU 40 70.138 5.307 -5.420 302 H LEU 41 H LEU 41 67.081 5.853 -1.952 303 HA LEU 41 HA LEU 41 64.270 5.592 -2.604 304 1HB LEU 41 1HB LEU 41 65.660 4.802 -0.565 305 2HB LEU 41 2HB LEU 41 65.489 6.454 0.027 306 HG LEU 41 HG LEU 41 63.711 5.111 0.983 307 1HD1 LEU 41 1HD1 LEU 41 63.253 7.463 0.045 308 2HD1 LEU 41 2HD1 LEU 41 62.430 6.641 -1.282 309 3HD1 LEU 41 3HD1 LEU 41 61.851 6.444 0.372 310 1HD2 LEU 41 1HD2 LEU 41 63.754 3.326 -0.749 311 2HD2 LEU 41 2HD2 LEU 41 62.117 3.900 -0.429 312 3HD2 LEU 41 3HD2 LEU 41 62.969 4.429 -1.880 313 H GLY 42 H GLY 42 66.150 8.221 -1.053 314 1HA GLY 42 1HA GLY 42 64.232 10.157 -0.699 315 2HA GLY 42 2HA GLY 42 65.860 10.558 -1.240 316 H LYS 43 H LYS 43 65.633 9.166 -3.794 317 HA LYS 43 HA LYS 43 64.854 11.167 -5.538 318 1HB LYS 43 1HB LYS 43 65.318 8.300 -5.582 319 2HB LYS 43 2HB LYS 43 64.097 8.757 -6.771 320 1HG LYS 43 1HG LYS 43 65.985 9.153 -8.034 321 2HG LYS 43 2HG LYS 43 65.857 10.723 -7.240 322 1HD LYS 43 1HD LYS 43 67.249 9.000 -5.461 323 2HD LYS 43 2HD LYS 43 67.973 8.797 -7.056 324 1HE LYS 43 1HE LYS 43 67.377 11.601 -6.255 325 2HE LYS 43 2HE LYS 43 68.706 10.799 -5.395 326 1HZ LYS 43 1HZ LYS 43 68.398 10.702 -8.343 327 2HZ LYS 43 2HZ LYS 43 69.343 11.875 -7.555 328 3HZ LYS 43 3HZ LYS 43 69.744 10.228 -7.426 329 H VAL 44 H VAL 44 62.715 8.610 -4.210 330 HA VAL 44 HA VAL 44 60.357 9.496 -5.622 331 HB VAL 44 HB VAL 44 60.905 7.818 -3.164 332 1HG1 VAL 44 1HG1 VAL 44 58.447 9.079 -3.842 333 2HG1 VAL 44 2HG1 VAL 44 58.284 7.378 -4.273 334 3HG1 VAL 44 3HG1 VAL 44 58.718 7.832 -2.625 335 1HG2 VAL 44 1HG2 VAL 44 60.437 7.360 -6.080 336 2HG2 VAL 44 2HG2 VAL 44 61.534 6.529 -4.976 337 3HG2 VAL 44 3HG2 VAL 44 59.810 6.156 -4.953 338 H MET 45 H MET 45 61.720 10.216 -2.410 339 HA MET 45 HA MET 45 59.654 11.570 -1.149 340 1HB MET 45 1HB MET 45 62.568 12.387 -1.402 341 2HB MET 45 2HB MET 45 61.475 12.908 -0.119 342 1HG MET 45 1HG MET 45 62.400 10.082 -0.694 343 2HG MET 45 2HG MET 45 62.755 11.048 0.736 344 1HE MET 45 1HE MET 45 60.963 8.457 -0.796 345 2HE MET 45 2HE MET 45 59.345 8.306 -0.099 346 3HE MET 45 3HE MET 45 59.658 9.496 -1.361 347 H ARG 46 H ARG 46 61.809 12.882 -3.679 348 HA ARG 46 HA ARG 46 60.425 15.458 -3.757 349 1HB ARG 46 1HB ARG 46 62.837 14.250 -4.679 350 2HB ARG 46 2HB ARG 46 61.985 14.863 -6.098 351 1HG ARG 46 1HG ARG 46 61.660 16.899 -4.250 352 2HG ARG 46 2HG ARG 46 63.302 16.338 -3.939 353 1HD ARG 46 1HD ARG 46 62.171 17.255 -6.607 354 2HD ARG 46 2HD ARG 46 63.457 18.032 -5.663 355 HE ARG 46 HE ARG 46 64.107 15.268 -6.178 356 1HH1 ARG 46 1HH2 ARG 46 63.311 16.348 -8.895 357 2HH1 ARG 46 2HH2 ARG 46 64.827 16.941 -9.487 358 1HH2 ARG 46 1HH1 ARG 46 66.353 16.921 -6.372 359 2HH2 ARG 46 2HH1 ARG 46 66.550 17.266 -8.058 360 H MET 47 H MET 47 60.228 12.372 -5.430 361 HA MET 47 HA MET 47 58.699 13.257 -7.711 362 1HB MET 47 1HB MET 47 58.996 10.603 -6.274 363 2HB MET 47 2HB MET 47 58.210 10.786 -7.841 364 1HG MET 47 1HG MET 47 60.839 12.075 -7.732 365 2HG MET 47 2HG MET 47 60.916 10.336 -7.442 366 1HE MET 47 1HE MET 47 60.163 8.584 -8.800 367 2HE MET 47 2HE MET 47 58.507 9.095 -9.158 368 3HE MET 47 3HE MET 47 59.593 8.635 -10.466 369 H LEU 48 H LEU 48 57.861 12.312 -4.416 370 HA LEU 48 HA LEU 48 54.985 12.130 -4.976 371 1HB LEU 48 1HB LEU 48 56.364 12.398 -2.294 372 2HB LEU 48 2HB LEU 48 54.842 11.587 -2.650 373 HG LEU 48 HG LEU 48 57.288 10.585 -4.046 374 1HD1 LEU 48 1HD1 LEU 48 56.763 10.435 -1.098 375 2HD1 LEU 48 2HD1 LEU 48 57.483 9.048 -1.915 376 3HD1 LEU 48 3HD1 LEU 48 58.296 10.611 -1.952 377 1HD2 LEU 48 1HD2 LEU 48 55.012 9.646 -4.430 378 2HD2 LEU 48 2HD2 LEU 48 56.127 8.453 -3.767 379 3HD2 LEU 48 3HD2 LEU 48 54.929 9.219 -2.722 380 H GLY 49 H GLY 49 57.264 14.508 -3.698 381 1HA GLY 49 1HA GLY 49 56.575 16.903 -4.168 382 2HA GLY 49 2HA GLY 49 55.008 16.463 -3.486 383 H GLN 50 H GLN 50 57.979 15.208 -2.128 384 HA GLN 50 HA GLN 50 57.837 17.175 0.117 385 1HB GLN 50 1HB GLN 50 57.154 14.301 0.072 386 2HB GLN 50 2HB GLN 50 58.232 14.770 1.388 387 1HG GLN 50 1HG GLN 50 56.626 16.643 1.922 388 2HG GLN 50 2HG GLN 50 55.515 15.943 0.746 389 1HE2 GLN 50 2HE2 GLN 50 55.853 13.187 1.247 390 2HE2 GLN 50 1HE2 GLN 50 55.345 12.838 2.829 391 H ASN 51 H ASN 51 59.746 16.086 1.765 392 HA ASN 51 HA ASN 51 62.069 15.014 0.449 393 1HB ASN 51 1HB ASN 51 61.901 17.197 -0.707 394 2HB ASN 51 2HB ASN 51 61.961 18.022 0.851 395 1HD2 ASN 51 2HD2 ASN 51 63.891 15.253 -0.440 396 2HD2 ASN 51 1HD2 ASN 51 65.396 15.992 -0.176 397 HA PRO 52 HA PRO 52 62.299 15.002 5.001 398 1HB PRO 52 1HB PRO 52 63.463 12.532 5.162 399 2HB PRO 52 2HB PRO 52 61.710 12.764 5.011 400 1HG PRO 52 1HG PRO 52 63.703 12.007 2.941 401 2HG PRO 52 2HG PRO 52 62.033 11.461 3.155 402 1HD PRO 52 1HD PRO 52 62.812 13.328 1.305 403 2HD PRO 52 2HD PRO 52 61.174 13.221 1.984 404 H THR 53 H THR 53 64.227 15.068 6.386 405 HA THR 53 HA THR 53 66.534 16.260 5.153 406 HB THR 53 HB THR 53 67.394 15.651 7.604 407 HG1 THR 53 HG1 THR 53 65.482 15.436 8.932 408 1HG2 THR 53 1HG2 THR 53 65.961 17.770 6.424 409 2HG2 THR 53 2HG2 THR 53 65.170 17.458 7.968 410 3HG2 THR 53 3HG2 THR 53 66.896 17.821 7.918 411 HA PRO 54 HA PRO 54 69.084 12.802 4.256 412 1HB PRO 54 1HB PRO 54 71.535 13.549 5.218 413 2HB PRO 54 2HB PRO 54 70.804 14.273 3.771 414 1HG PRO 54 1HG PRO 54 70.936 15.325 6.551 415 2HG PRO 54 2HG PRO 54 71.102 16.183 5.011 416 1HD PRO 54 1HD PRO 54 68.824 16.211 6.510 417 2HD PRO 54 2HD PRO 54 68.839 16.407 4.743 418 H GLU 55 H GLU 55 68.904 13.879 7.572 419 HA GLU 55 HA GLU 55 70.255 11.539 8.706 420 1HB GLU 55 1HB GLU 55 70.247 13.766 9.768 421 2HB GLU 55 2HB GLU 55 68.488 13.708 9.890 422 1HG GLU 55 1HG GLU 55 69.110 12.973 12.011 423 2HG GLU 55 2HG GLU 55 68.947 11.441 11.153 424 H GLU 56 H GLU 56 66.968 12.468 7.868 425 HA GLU 56 HA GLU 56 65.716 10.298 9.397 426 1HB GLU 56 1HB GLU 56 64.666 12.510 8.934 427 2HB GLU 56 2HB GLU 56 64.670 12.128 7.211 428 1HG GLU 56 1HG GLU 56 62.778 10.928 7.421 429 2HG GLU 56 2HG GLU 56 63.497 9.946 8.697 430 H LEU 57 H LEU 57 66.747 10.889 6.063 431 HA LEU 57 HA LEU 57 65.451 8.862 4.646 432 1HB LEU 57 1HB LEU 57 67.705 10.573 4.403 433 2HB LEU 57 2HB LEU 57 68.250 8.956 3.963 434 HG LEU 57 HG LEU 57 66.015 10.574 2.729 435 1HD1 LEU 57 1HD1 LEU 57 68.719 10.055 2.074 436 2HD1 LEU 57 2HD1 LEU 57 67.749 9.115 0.941 437 3HD1 LEU 57 3HD1 LEU 57 67.510 10.857 1.070 438 1HD2 LEU 57 1HD2 LEU 57 66.461 7.595 2.749 439 2HD2 LEU 57 2HD2 LEU 57 64.947 8.490 2.879 440 3HD2 LEU 57 3HD2 LEU 57 65.770 8.369 1.322 441 H GLN 58 H GLN 58 68.700 8.486 6.120 442 HA GLN 58 HA GLN 58 69.117 5.772 5.817 443 1HB GLN 58 1HB GLN 58 70.173 7.875 7.287 444 2HB GLN 58 2HB GLN 58 69.698 6.721 8.534 445 1HG GLN 58 1HG GLN 58 71.244 5.842 6.095 446 2HG GLN 58 2HG GLN 58 72.064 6.470 7.526 447 1HE2 GLN 58 2HE2 GLN 58 71.665 3.603 6.258 448 2HE2 GLN 58 1HE2 GLN 58 71.264 2.657 7.609 449 H GLU 59 H GLU 59 66.901 7.323 8.104 450 HA GLU 59 HA GLU 59 66.325 5.216 9.864 451 1HB GLU 59 1HB GLU 59 65.449 7.677 9.611 452 2HB GLU 59 2HB GLU 59 64.162 6.933 8.661 453 1HG GLU 59 1HG GLU 59 63.956 5.288 10.678 454 2HG GLU 59 2HG GLU 59 64.829 6.536 11.570 455 H MET 60 H MET 60 64.740 5.876 6.712 456 HA MET 60 HA MET 60 62.973 3.676 6.664 457 1HB MET 60 1HB MET 60 64.273 5.534 4.781 458 2HB MET 60 2HB MET 60 63.776 4.006 4.049 459 1HG MET 60 1HG MET 60 61.704 4.899 3.917 460 2HG MET 60 2HG MET 60 61.618 4.685 5.665 461 1HE MET 60 1HE MET 60 61.864 6.627 2.717 462 2HE MET 60 2HE MET 60 61.815 8.342 3.145 463 3HE MET 60 3HE MET 60 63.353 7.485 3.099 464 H ILE 61 H ILE 61 66.442 3.775 6.224 465 HA ILE 61 HA ILE 61 66.630 1.128 4.977 466 HB ILE 61 HB ILE 61 68.760 2.794 6.326 467 1HG1 ILE 61 1HG1 ILE 61 67.599 4.270 4.816 468 2HG1 ILE 61 2HG1 ILE 61 69.097 3.767 4.026 469 1HG2 ILE 61 1HG2 ILE 61 68.743 0.340 4.836 470 2HG2 ILE 61 2HG2 ILE 61 69.625 1.567 3.927 471 3HG2 ILE 61 3HG2 ILE 61 70.116 1.166 5.573 472 1HD1 ILE 61 1HD1 ILE 61 67.503 1.779 3.213 473 2HD1 ILE 61 2HD1 ILE 61 66.289 3.043 3.396 474 3HD1 ILE 61 3HD1 ILE 61 67.658 3.288 2.312 475 H ASP 62 H ASP 62 67.892 2.408 8.083 476 HA ASP 62 HA ASP 62 68.512 -0.028 9.324 477 1HB ASP 62 1HB ASP 62 68.439 2.664 9.953 478 2HB ASP 62 2HB ASP 62 67.260 1.981 11.071 479 H GLU 63 H GLU 63 65.358 1.566 9.015 480 HA GLU 63 HA GLU 63 63.765 0.215 10.844 481 1HB GLU 63 1HB GLU 63 63.365 1.903 8.789 482 2HB GLU 63 2HB GLU 63 62.790 0.419 8.029 483 1HG GLU 63 1HG GLU 63 60.916 0.371 9.299 484 2HG GLU 63 2HG GLU 63 61.811 0.743 10.772 485 H VAL 64 H VAL 64 65.142 -1.053 7.840 486 HA VAL 64 HA VAL 64 64.224 -3.784 8.661 487 HB VAL 64 HB VAL 64 63.906 -4.104 6.116 488 1HG1 VAL 64 1HG1 VAL 64 62.177 -3.442 8.103 489 2HG1 VAL 64 2HG1 VAL 64 61.931 -2.080 7.009 490 3HG1 VAL 64 3HG1 VAL 64 61.675 -3.729 6.437 491 1HG2 VAL 64 1HG2 VAL 64 65.112 -2.034 5.467 492 2HG2 VAL 64 2HG2 VAL 64 63.457 -2.034 4.860 493 3HG2 VAL 64 3HG2 VAL 64 63.875 -1.072 6.278 494 H ASP 65 H ASP 65 66.851 -2.354 8.878 495 HA ASP 65 HA ASP 65 68.518 -3.843 6.906 496 1HB ASP 65 1HB ASP 65 68.562 -1.271 7.803 497 2HB ASP 65 2HB ASP 65 69.723 -2.015 8.904 498 H GLU 66 H GLU 66 69.022 -5.886 7.633 499 HA GLU 66 HA GLU 66 69.902 -6.158 10.490 500 1HB GLU 66 1HB GLU 66 68.848 -8.394 10.415 501 2HB GLU 66 2HB GLU 66 67.671 -7.135 10.037 502 1HG GLU 66 1HG GLU 66 68.780 -7.752 7.562 503 2HG GLU 66 2HG GLU 66 68.648 -9.320 8.360 504 H ASP 67 H ASP 67 71.528 -5.654 8.053 505 HA ASP 67 HA ASP 67 73.260 -8.083 8.234 506 1HB ASP 67 1HB ASP 67 73.523 -7.922 5.737 507 2HB ASP 67 2HB ASP 67 71.882 -8.325 6.239 508 H GLY 68 H GLY 68 73.082 -4.912 8.825 509 1HA GLY 68 1HA GLY 68 74.655 -3.180 8.997 510 2HA GLY 68 2HA GLY 68 75.874 -4.455 8.962 511 H SER 69 H SER 69 73.545 -3.626 6.408 512 HA SER 69 HA SER 69 75.879 -3.145 4.592 513 1HB SER 69 1HB SER 69 74.331 -3.864 2.840 514 2HB SER 69 2HB SER 69 74.313 -5.045 4.145 515 HG SER 69 HG SER 69 72.386 -3.169 3.370 516 H GLY 70 H GLY 70 73.698 -1.417 6.375 517 1HA GLY 70 1HA GLY 70 72.699 0.706 6.150 518 2HA GLY 70 2HA GLY 70 74.178 1.088 5.264 519 H THR 71 H THR 71 72.037 -1.403 4.093 520 HA THR 71 HA THR 71 70.905 0.473 2.062 521 HB THR 71 HB THR 71 71.501 -1.492 0.430 522 HG1 THR 71 HG1 THR 71 72.444 -3.036 1.489 523 1HG2 THR 71 1HG2 THR 71 73.049 0.771 1.460 524 2HG2 THR 71 2HG2 THR 71 74.056 -0.476 0.724 525 3HG2 THR 71 3HG2 THR 71 72.760 0.274 -0.207 526 H VAL 72 H VAL 72 69.412 -1.138 0.564 527 HA VAL 72 HA VAL 72 67.943 -3.025 2.347 528 HB VAL 72 HB VAL 72 66.837 -0.610 0.881 529 1HG1 VAL 72 1HG1 VAL 72 65.442 -2.903 2.284 530 2HG1 VAL 72 2HG1 VAL 72 64.651 -1.371 1.912 531 3HG1 VAL 72 3HG1 VAL 72 65.245 -2.397 0.606 532 1HG2 VAL 72 1HG2 VAL 72 67.909 -0.182 3.082 533 2HG2 VAL 72 2HG2 VAL 72 66.169 0.102 3.134 534 3HG2 VAL 72 3HG2 VAL 72 66.843 -1.378 3.816 535 H ASP 73 H ASP 73 66.455 -4.425 1.089 536 HA ASP 73 HA ASP 73 66.827 -4.428 -1.862 537 1HB ASP 73 1HB ASP 73 67.623 -6.769 -1.768 538 2HB ASP 73 2HB ASP 73 68.701 -5.707 -0.860 539 H PHE 74 H PHE 74 65.468 -6.419 -2.745 540 HA PHE 74 HA PHE 74 62.749 -6.092 -2.011 541 1HB PHE 74 1HB PHE 74 63.809 -7.068 -4.124 542 2HB PHE 74 2HB PHE 74 63.998 -8.573 -3.221 543 HD1 PHE 74 HD1 PHE 74 61.587 -6.211 -4.703 544 HD2 PHE 74 HD2 PHE 74 62.062 -9.906 -2.562 545 HE1 PHE 74 HE1 PHE 74 59.220 -6.787 -5.171 546 HE2 PHE 74 HE2 PHE 74 59.695 -10.481 -3.031 547 HZ PHE 74 HZ PHE 74 58.275 -8.922 -4.335 548 H ASP 75 H ASP 75 65.252 -7.885 -0.458 549 HA ASP 75 HA ASP 75 63.501 -9.844 0.840 550 1HB ASP 75 1HB ASP 75 66.004 -10.006 0.234 551 2HB ASP 75 2HB ASP 75 66.287 -8.994 1.651 552 H GLU 76 H GLU 76 65.244 -6.889 1.855 553 HA GLU 76 HA GLU 76 63.973 -6.923 4.510 554 1HB GLU 76 1HB GLU 76 65.718 -4.889 3.078 555 2HB GLU 76 2HB GLU 76 65.357 -4.900 4.805 556 1HG GLU 76 1HG GLU 76 66.505 -6.999 5.107 557 2HG GLU 76 2HG GLU 76 66.691 -7.207 3.366 558 H PHE 77 H PHE 77 63.708 -5.088 1.472 559 HA PHE 77 HA PHE 77 62.010 -2.991 2.262 560 1HB PHE 77 1HB PHE 77 63.028 -3.287 0.032 561 2HB PHE 77 2HB PHE 77 61.984 -4.676 -0.268 562 HD1 PHE 77 HD1 PHE 77 61.713 -1.090 0.821 563 HD2 PHE 77 HD2 PHE 77 60.005 -4.318 -1.441 564 HE1 PHE 77 HE1 PHE 77 59.924 0.423 0.012 565 HE2 PHE 77 HE2 PHE 77 58.216 -2.803 -2.251 566 HZ PHE 77 HZ PHE 77 58.175 -0.433 -1.525 567 H LEU 78 H LEU 78 61.147 -6.339 1.359 568 HA LEU 78 HA LEU 78 58.313 -6.059 1.509 569 1HB LEU 78 1HB LEU 78 60.368 -8.196 1.542 570 2HB LEU 78 2HB LEU 78 58.804 -8.645 2.225 571 HG LEU 78 HG LEU 78 59.196 -7.375 -0.500 572 1HD1 LEU 78 1HD1 LEU 78 58.596 -10.238 0.304 573 2HD1 LEU 78 2HD1 LEU 78 58.541 -9.624 -1.348 574 3HD1 LEU 78 3HD1 LEU 78 60.071 -9.660 -0.472 575 1HD2 LEU 78 1HD2 LEU 78 56.976 -7.301 1.092 576 2HD2 LEU 78 2HD2 LEU 78 56.921 -7.294 -0.670 577 3HD2 LEU 78 3HD2 LEU 78 56.706 -8.806 0.213 578 H VAL 79 H VAL 79 60.736 -6.176 3.997 579 HA VAL 79 HA VAL 79 58.863 -6.990 6.125 580 HB VAL 79 HB VAL 79 61.720 -5.959 6.123 581 1HG1 VAL 79 1HG1 VAL 79 59.860 -6.366 8.263 582 2HG1 VAL 79 2HG1 VAL 79 61.104 -7.613 8.366 583 3HG1 VAL 79 3HG1 VAL 79 61.561 -5.910 8.367 584 1HG2 VAL 79 1HG2 VAL 79 60.675 -8.383 5.197 585 2HG2 VAL 79 2HG2 VAL 79 62.359 -8.067 5.615 586 3HG2 VAL 79 3HG2 VAL 79 61.266 -8.754 6.817 587 H MET 80 H MET 80 60.234 -4.032 4.790 588 HA MET 80 HA MET 80 59.493 -2.288 6.980 589 1HB MET 80 1HB MET 80 61.198 -1.961 5.085 590 2HB MET 80 2HB MET 80 59.817 -1.581 4.054 591 1HG MET 80 1HG MET 80 59.205 0.297 5.418 592 2HG MET 80 2HG MET 80 60.347 -0.171 6.679 593 1HE MET 80 1HE MET 80 59.840 1.066 3.055 594 2HE MET 80 2HE MET 80 61.484 1.211 2.437 595 3HE MET 80 3HE MET 80 60.820 -0.381 2.829 596 H MET 81 H MET 81 57.803 -3.653 4.247 597 HA MET 81 HA MET 81 55.600 -1.735 4.259 598 1HB MET 81 1HB MET 81 56.179 -4.423 3.002 599 2HB MET 81 2HB MET 81 54.629 -3.611 2.774 600 1HG MET 81 1HG MET 81 57.045 -1.945 2.331 601 2HG MET 81 2HG MET 81 56.748 -3.212 1.140 602 1HE MET 81 1HE MET 81 56.960 -0.679 0.080 603 2HE MET 81 2HE MET 81 55.543 0.344 -0.200 604 3HE MET 81 3HE MET 81 56.369 0.385 1.355 605 H VAL 82 H VAL 82 56.423 -4.601 6.040 606 HA VAL 82 HA VAL 82 53.683 -5.307 6.788 607 HB VAL 82 HB VAL 82 56.353 -6.064 8.018 608 1HG1 VAL 82 1HG1 VAL 82 54.366 -6.654 9.363 609 2HG1 VAL 82 2HG1 VAL 82 53.665 -7.470 7.966 610 3HG1 VAL 82 3HG1 VAL 82 55.138 -8.097 8.706 611 1HG2 VAL 82 1HG2 VAL 82 55.548 -6.464 5.387 612 2HG2 VAL 82 2HG2 VAL 82 56.763 -7.412 6.244 613 3HG2 VAL 82 3HG2 VAL 82 55.092 -7.969 6.186 614 H ARG 83 H ARG 83 56.458 -3.770 8.448 615 HA ARG 83 HA ARG 83 55.302 -3.313 10.974 616 1HB ARG 83 1HB ARG 83 57.215 -1.686 9.275 617 2HB ARG 83 2HB ARG 83 56.921 -1.359 10.982 618 1HG ARG 83 1HG ARG 83 57.447 -3.936 11.245 619 2HG ARG 83 2HG ARG 83 58.285 -3.705 9.711 620 1HD ARG 83 1HD ARG 83 60.005 -2.636 10.732 621 2HD ARG 83 2HD ARG 83 58.892 -1.558 11.599 622 HE ARG 83 HE ARG 83 58.604 -4.074 12.808 623 1HH1 ARG 83 1HH1 ARG 83 60.397 -1.238 13.008 624 2HH1 ARG 83 2HH1 ARG 83 61.598 -1.867 14.088 625 1HH2 ARG 83 1HH2 ARG 83 60.457 -5.135 13.873 626 2HH2 ARG 83 2HH2 ARG 83 61.631 -4.074 14.579 627 H CYS 84 H CYS 84 54.706 -1.661 7.925 628 HA CYS 84 HA CYS 84 53.327 0.616 9.150 629 1HB CYS 84 1HB CYS 84 54.523 -0.030 6.717 630 2HB CYS 84 2HB CYS 84 52.804 0.047 6.329 631 HG CYS 84 HG CYS 84 52.821 2.506 6.696 632 H MET 85 H MET 85 52.464 -2.577 8.023 633 HA MET 85 HA MET 85 49.750 -2.314 7.357 634 1HB MET 85 1HB MET 85 51.298 -4.437 8.865 635 2HB MET 85 2HB MET 85 49.645 -4.680 8.300 636 1HG MET 85 1HG MET 85 51.852 -3.785 6.442 637 2HG MET 85 2HG MET 85 51.517 -5.490 6.742 638 1HE MET 85 1HE MET 85 51.767 -4.441 4.277 639 2HE MET 85 2HE MET 85 50.373 -4.846 3.266 640 3HE MET 85 3HE MET 85 50.670 -3.173 3.734 641 H LYS 86 H LYS 86 48.314 -1.099 8.558 642 HA LYS 86 HA LYS 86 47.072 -0.347 10.425 643 1HB LYS 86 1HB LYS 86 47.834 -3.058 11.536 644 2HB LYS 86 2HB LYS 86 46.339 -2.162 11.804 645 1HG LYS 86 1HG LYS 86 45.940 -2.338 9.286 646 2HG LYS 86 2HG LYS 86 47.259 -3.508 9.256 647 1HD LYS 86 1HD LYS 86 46.054 -5.108 10.391 648 2HD LYS 86 2HD LYS 86 45.125 -3.914 11.298 649 1HE LYS 86 1HE LYS 86 43.464 -3.888 9.744 650 2HE LYS 86 2HE LYS 86 44.622 -3.798 8.401 651 1HZ LYS 86 1HZ LYS 86 44.595 -6.281 9.914 652 2HZ LYS 86 2HZ LYS 86 43.224 -5.991 8.954 653 3HZ LYS 86 3HZ LYS 86 44.762 -6.031 8.243 654 H ASP 87 H ASP 87 47.482 -1.116 13.186 655 HA ASP 87 HA ASP 87 50.071 0.303 13.718 656 1HB ASP 87 1HB ASP 87 47.720 1.231 14.334 657 2HB ASP 87 2HB ASP 87 47.731 0.007 15.604 658 H ASP 88 H ASP 88 51.643 -1.030 14.534 659 HA ASP 88 HA ASP 88 50.781 -3.462 16.066 660 1HB ASP 88 1HB ASP 88 53.321 -2.895 14.501 661 2HB ASP 88 2HB ASP 88 52.879 -4.435 15.237 662 H SER 89 H SER 89 52.228 -0.418 16.386 663 HA SER 89 HA SER 89 52.873 -0.773 19.157 664 1HB SER 89 1HB SER 89 54.797 -1.692 17.212 665 2HB SER 89 2HB SER 89 55.482 -0.354 18.129 666 HG SER 89 HG SER 89 55.036 -2.892 18.890 667 1H ARG 1 1H ARG 1 56.171 2.771 7.387 668 2H ARG 1 2H ARG 1 57.805 2.668 6.934 669 3H ARG 1 3H ARG 1 57.387 2.981 8.550 670 HA ARG 1 HA ARG 1 56.579 5.147 8.027 671 1HB ARG 1 1HB ARG 1 59.199 4.177 7.707 672 2HB ARG 1 2HB ARG 1 58.959 5.295 6.363 673 1HG ARG 1 1HG ARG 1 57.819 6.455 8.724 674 2HG ARG 1 2HG ARG 1 59.463 5.934 9.092 675 1HD ARG 1 1HD ARG 1 60.377 7.238 7.287 676 2HD ARG 1 2HD ARG 1 58.760 7.571 6.634 677 HE ARG 1 HE ARG 1 59.470 8.468 9.396 678 1HH1 ARG 1 1HH2 ARG 1 59.998 9.867 6.527 679 2HH1 ARG 1 2HH2 ARG 1 58.828 11.137 6.665 680 1HH2 ARG 1 1HH1 ARG 1 57.261 9.754 9.432 681 2HH2 ARG 1 2HH1 ARG 1 57.277 11.072 8.307 682 H ILE 2 H ILE 2 57.479 3.301 5.108 683 HA ILE 2 HA ILE 2 56.180 5.332 3.372 684 HB ILE 2 HB ILE 2 57.503 2.714 2.618 685 1HG1 ILE 2 1HG1 ILE 2 58.862 5.409 2.907 686 2HG1 ILE 2 2HG1 ILE 2 58.948 4.148 4.137 687 1HG2 ILE 2 1HG2 ILE 2 56.170 4.592 1.107 688 2HG2 ILE 2 2HG2 ILE 2 57.846 5.123 0.966 689 3HG2 ILE 2 3HG2 ILE 2 57.397 3.486 0.488 690 1HD1 ILE 2 1HD1 ILE 2 59.532 2.927 1.634 691 2HD1 ILE 2 2HD1 ILE 2 60.500 4.396 1.740 692 3HD1 ILE 2 3HD1 ILE 2 60.620 3.168 3.000 693 H SER 3 H SER 3 53.998 4.751 4.376 694 HA SER 3 HA SER 3 52.750 2.235 4.234 695 1HB SER 3 1HB SER 3 50.670 3.594 4.182 696 2HB SER 3 2HB SER 3 51.844 4.247 5.322 697 HG SER 3 HG SER 3 50.993 5.887 4.006 698 H ALA 4 H ALA 4 51.203 4.437 2.039 699 HA ALA 4 HA ALA 4 52.256 3.409 -0.442 700 1HB ALA 4 1HB ALA 4 51.017 1.461 0.815 701 2HB ALA 4 2HB ALA 4 49.557 2.278 0.264 702 3HB ALA 4 3HB ALA 4 50.732 1.686 -0.911 703 H ASP 5 H ASP 5 49.235 4.477 1.150 704 HA ASP 5 HA ASP 5 47.857 5.648 -0.957 705 1HB ASP 5 1HB ASP 5 48.330 6.686 1.857 706 2HB ASP 5 2HB ASP 5 47.015 7.211 0.804 707 H ALA 6 H ALA 6 50.354 7.293 1.028 708 HA ALA 6 HA ALA 6 50.408 9.648 -0.674 709 1HB ALA 6 1HB ALA 6 51.917 8.516 1.656 710 2HB ALA 6 2HB ALA 6 52.635 9.860 0.767 711 3HB ALA 6 3HB ALA 6 51.053 10.049 1.524 712 H MET 7 H MET 7 52.241 6.629 -0.511 713 HA MET 7 HA MET 7 54.369 7.493 -2.299 714 1HB MET 7 1HB MET 7 53.597 5.218 -0.696 715 2HB MET 7 2HB MET 7 54.093 4.675 -2.299 716 1HG MET 7 1HG MET 7 55.692 6.458 -0.439 717 2HG MET 7 2HG MET 7 56.047 4.777 -0.833 718 1HE MET 7 1HE MET 7 56.951 3.874 -2.685 719 2HE MET 7 2HE MET 7 55.805 4.347 -3.937 720 3HE MET 7 3HE MET 7 57.535 4.642 -4.159 721 H MET 8 H MET 8 51.553 5.310 -2.715 722 HA MET 8 HA MET 8 51.927 4.903 -5.534 723 1HB MET 8 1HB MET 8 49.762 4.556 -3.490 724 2HB MET 8 2HB MET 8 49.339 4.384 -5.194 725 1HG MET 8 1HG MET 8 49.949 2.197 -4.355 726 2HG MET 8 2HG MET 8 51.239 2.748 -5.425 727 1HE MET 8 1HE MET 8 53.301 2.801 -5.094 728 2HE MET 8 2HE MET 8 53.537 4.246 -4.114 729 3HE MET 8 3HE MET 8 54.275 2.724 -3.620 730 H GLN 9 H GLN 9 49.569 6.978 -3.801 731 HA GLN 9 HA GLN 9 48.473 8.255 -6.085 732 1HB GLN 9 1HB GLN 9 47.653 8.243 -3.697 733 2HB GLN 9 2HB GLN 9 48.916 9.413 -3.317 734 1HG GLN 9 1HG GLN 9 47.819 11.123 -4.348 735 2HG GLN 9 2HG GLN 9 47.255 10.095 -5.665 736 1HE2 GLN 9 2HE2 GLN 9 46.715 10.253 -2.089 737 2HE2 GLN 9 1HE2 GLN 9 45.031 10.071 -2.195 738 H ALA 10 H ALA 10 51.246 9.218 -4.039 739 HA ALA 10 HA ALA 10 51.776 11.591 -5.698 740 1HB ALA 10 1HB ALA 10 52.066 11.276 -3.157 741 2HB ALA 10 2HB ALA 10 53.523 10.368 -3.557 742 3HB ALA 10 3HB ALA 10 53.390 12.064 -4.014 743 H LEU 11 H LEU 11 52.480 8.301 -6.019 744 HA LEU 11 HA LEU 11 54.720 8.943 -7.889 745 1HB LEU 11 1HB LEU 11 55.175 8.035 -5.380 746 2HB LEU 11 2HB LEU 11 54.978 6.502 -6.215 747 HG LEU 11 HG LEU 11 56.587 7.740 -7.984 748 1HD1 LEU 11 1HD1 LEU 11 57.133 8.980 -5.279 749 2HD1 LEU 11 2HD1 LEU 11 58.372 8.872 -6.528 750 3HD1 LEU 11 3HD1 LEU 11 56.901 9.798 -6.825 751 1HD2 LEU 11 1HD2 LEU 11 56.906 5.859 -5.783 752 2HD2 LEU 11 2HD2 LEU 11 57.641 5.832 -7.386 753 3HD2 LEU 11 3HD2 LEU 11 58.396 6.752 -6.085 754 H LEU 12 H LEU 12 53.303 5.883 -6.678 755 HA LEU 12 HA LEU 12 52.764 5.130 -9.518 756 1HB LEU 12 1HB LEU 12 53.020 3.552 -6.938 757 2HB LEU 12 2HB LEU 12 52.686 2.830 -8.510 758 HG LEU 12 HG LEU 12 55.029 2.624 -8.279 759 1HD1 LEU 12 1HD1 LEU 12 54.048 4.020 -10.342 760 2HD1 LEU 12 2HD1 LEU 12 55.075 5.276 -9.651 761 3HD1 LEU 12 3HD1 LEU 12 55.779 3.738 -10.155 762 1HD2 LEU 12 1HD2 LEU 12 54.800 4.601 -6.402 763 2HD2 LEU 12 2HD2 LEU 12 56.339 4.005 -7.024 764 3HD2 LEU 12 3HD2 LEU 12 55.619 5.464 -7.703 765 H GLY 13 H GLY 13 50.683 5.790 -10.021 766 1HA GLY 13 1HA GLY 13 48.535 5.810 -8.062 767 2HA GLY 13 2HA GLY 13 48.357 6.101 -9.794 768 H ALA 14 H ALA 14 46.449 4.705 -9.742 769 HA ALA 14 HA ALA 14 46.712 1.889 -9.002 770 1HB ALA 14 1HB ALA 14 44.679 3.705 -9.292 771 2HB ALA 14 2HB ALA 14 44.522 2.775 -10.782 772 3HB ALA 14 3HB ALA 14 44.437 1.959 -9.221 773 H ARG 15 H ARG 15 46.069 3.525 -12.134 774 HA ARG 15 HA ARG 15 46.590 1.171 -13.718 775 1HB ARG 15 1HB ARG 15 45.486 3.678 -14.048 776 2HB ARG 15 2HB ARG 15 46.989 3.813 -14.960 777 1HG ARG 15 1HG ARG 15 46.369 1.596 -16.061 778 2HG ARG 15 2HG ARG 15 44.772 1.793 -15.339 779 1HD ARG 15 1HD ARG 15 45.915 4.102 -16.874 780 2HD ARG 15 2HD ARG 15 45.246 2.729 -17.778 781 HE ARG 15 HE ARG 15 43.362 3.237 -15.792 782 1HH1 ARG 15 1HH1 ARG 15 43.475 3.811 -18.937 783 2HH1 ARG 15 2HH1 ARG 15 42.756 5.387 -18.935 784 1HH2 ARG 15 1HH2 ARG 15 43.036 5.800 -15.503 785 2HH2 ARG 15 2HH2 ARG 15 42.506 6.514 -16.989 786 H ALA 16 H ALA 16 48.369 1.509 -15.579 787 HA ALA 16 HA ALA 16 50.954 1.391 -14.273 788 1HB ALA 16 1HB ALA 16 50.082 0.151 -16.337 789 2HB ALA 16 2HB ALA 16 50.346 1.651 -17.228 790 3HB ALA 16 3HB ALA 16 51.709 0.821 -16.476 791 H LYS 17 H LYS 17 52.420 2.740 -16.446 792 HA LYS 17 HA LYS 17 52.720 5.350 -15.288 793 1HB LYS 17 1HB LYS 17 54.042 3.660 -17.071 794 2HB LYS 17 2HB LYS 17 53.603 5.052 -18.061 795 1HG LYS 17 1HG LYS 17 54.619 6.560 -16.385 796 2HG LYS 17 2HG LYS 17 55.080 5.162 -15.412 797 1HD LYS 17 1HD LYS 17 55.972 4.717 -18.094 798 2HD LYS 17 2HD LYS 17 56.500 6.324 -17.596 799 1HE LYS 17 1HE LYS 17 56.855 4.360 -15.459 800 2HE LYS 17 2HE LYS 17 57.767 3.937 -16.922 801 1HZ LYS 17 1HZ LYS 17 58.410 6.362 -17.001 802 2HZ LYS 17 2HZ LYS 17 57.823 6.487 -15.411 803 3HZ LYS 17 3HZ LYS 17 59.121 5.451 -15.756 Start of MODEL 30 1 1H MET 1 1H MET 1 65.485 -9.645 16.914 2 2H MET 1 2H MET 1 66.214 -8.122 17.073 3 3H MET 1 3H MET 1 65.322 -8.774 18.364 4 HA MET 1 HA MET 1 63.816 -7.272 17.472 5 1HB MET 1 1HB MET 1 65.624 -7.266 15.455 6 2HB MET 1 2HB MET 1 64.302 -8.124 14.663 7 1HG MET 1 1HG MET 1 62.831 -6.187 15.680 8 2HG MET 1 2HG MET 1 64.367 -5.323 15.736 9 1HE MET 1 1HE MET 1 64.385 -3.629 14.300 10 2HE MET 1 2HE MET 1 65.727 -4.514 13.580 11 3HE MET 1 3HE MET 1 64.525 -3.729 12.547 12 H ASP 2 H ASP 2 61.766 -8.069 17.722 13 HA ASP 2 HA ASP 2 60.967 -10.731 17.633 14 1HB ASP 2 1HB ASP 2 59.540 -8.117 17.135 15 2HB ASP 2 2HB ASP 2 58.658 -9.644 17.158 16 H ASP 3 H ASP 3 60.393 -12.168 16.011 17 HA ASP 3 HA ASP 3 60.690 -11.227 13.192 18 1HB ASP 3 1HB ASP 3 61.110 -13.739 14.742 19 2HB ASP 3 2HB ASP 3 60.600 -13.926 13.064 20 H ILE 4 H ILE 4 58.225 -10.909 14.945 21 HA ILE 4 HA ILE 4 56.220 -12.785 14.017 22 HB ILE 4 HB ILE 4 56.250 -11.329 16.110 23 1HG1 ILE 4 1HG1 ILE 4 53.864 -11.291 14.239 24 2HG1 ILE 4 2HG1 ILE 4 54.209 -12.469 15.506 25 1HG2 ILE 4 1HG2 ILE 4 56.926 -9.251 14.868 26 2HG2 ILE 4 2HG2 ILE 4 55.312 -9.207 14.157 27 3HG2 ILE 4 3HG2 ILE 4 55.514 -9.028 15.900 28 1HD1 ILE 4 1HD1 ILE 4 54.141 -10.489 17.141 29 2HD1 ILE 4 2HD1 ILE 4 53.412 -9.572 15.824 30 3HD1 ILE 4 3HD1 ILE 4 52.598 -11.001 16.458 31 H TYR 5 H TYR 5 57.886 -10.376 12.380 32 HA TYR 5 HA TYR 5 55.594 -9.519 10.699 33 1HB TYR 5 1HB TYR 5 58.540 -8.808 10.849 34 2HB TYR 5 2HB TYR 5 57.425 -8.088 9.687 35 HD1 TYR 5 HD1 TYR 5 58.053 -8.566 13.329 36 HD2 TYR 5 HD2 TYR 5 55.941 -6.344 10.320 37 HE1 TYR 5 HE1 TYR 5 57.291 -6.953 15.054 38 HE2 TYR 5 HE2 TYR 5 55.180 -4.732 12.044 39 HH TYR 5 HH TYR 5 56.540 -4.411 14.983 40 H LYS 6 H LYS 6 58.772 -11.135 10.287 41 HA LYS 6 HA LYS 6 58.748 -11.692 7.563 42 1HB LYS 6 1HB LYS 6 59.751 -12.996 10.040 43 2HB LYS 6 2HB LYS 6 59.737 -14.002 8.591 44 1HG LYS 6 1HG LYS 6 60.919 -12.109 7.388 45 2HG LYS 6 2HG LYS 6 61.116 -11.333 8.960 46 1HD LYS 6 1HD LYS 6 63.103 -12.519 8.850 47 2HD LYS 6 2HD LYS 6 62.075 -13.718 9.635 48 1HE LYS 6 1HE LYS 6 61.507 -14.453 7.171 49 2HE LYS 6 2HE LYS 6 63.031 -13.630 6.783 50 1HZ LYS 6 1HZ LYS 6 63.249 -15.181 9.168 51 2HZ LYS 6 2HZ LYS 6 62.774 -16.149 7.858 52 3HZ LYS 6 3HZ LYS 6 64.202 -15.233 7.762 53 H ALA 7 H ALA 7 56.653 -13.018 10.031 54 HA ALA 7 HA ALA 7 55.730 -15.289 8.434 55 1HB ALA 7 1HB ALA 7 55.481 -14.194 11.098 56 2HB ALA 7 2HB ALA 7 53.884 -14.608 10.473 57 3HB ALA 7 3HB ALA 7 55.147 -15.837 10.548 58 H ALA 8 H ALA 8 54.340 -12.124 9.381 59 HA ALA 8 HA ALA 8 51.861 -12.326 8.040 60 1HB ALA 8 1HB ALA 8 53.488 -10.383 9.349 61 2HB ALA 8 2HB ALA 8 52.937 -9.673 7.831 62 3HB ALA 8 3HB ALA 8 51.763 -10.284 8.996 63 H VAL 9 H VAL 9 55.080 -11.800 6.766 64 HA VAL 9 HA VAL 9 54.365 -10.679 4.212 65 HB VAL 9 HB VAL 9 56.712 -12.450 4.963 66 1HG1 VAL 9 1HG1 VAL 9 56.043 -11.406 2.526 67 2HG1 VAL 9 2HG1 VAL 9 57.040 -10.112 3.190 68 3HG1 VAL 9 3HG1 VAL 9 57.697 -11.742 3.037 69 1HG2 VAL 9 1HG2 VAL 9 55.964 -10.203 6.331 70 2HG2 VAL 9 2HG2 VAL 9 57.633 -10.743 6.162 71 3HG2 VAL 9 3HG2 VAL 9 56.991 -9.509 5.078 72 H GLU 10 H GLU 10 55.092 -14.031 5.221 73 HA GLU 10 HA GLU 10 54.729 -15.329 2.743 74 1HB GLU 10 1HB GLU 10 55.346 -16.035 5.279 75 2HB GLU 10 2HB GLU 10 53.684 -16.623 5.213 76 1HG GLU 10 1HG GLU 10 54.366 -17.696 2.958 77 2HG GLU 10 2HG GLU 10 56.025 -17.427 3.493 78 H GLN 11 H GLN 11 52.350 -13.934 4.898 79 HA GLN 11 HA GLN 11 50.072 -15.392 3.786 80 1HB GLN 11 1HB GLN 11 50.130 -12.810 5.370 81 2HB GLN 11 2HB GLN 11 48.826 -13.997 5.302 82 1HG GLN 11 1HG GLN 11 51.137 -15.424 6.083 83 2HG GLN 11 2HG GLN 11 51.131 -13.943 7.042 84 1HE2 GLN 11 2HE2 GLN 11 50.241 -14.553 9.037 85 2HE2 GLN 11 1HE2 GLN 11 48.783 -15.401 9.218 86 H LEU 12 H LEU 12 51.920 -12.639 2.837 87 HA LEU 12 HA LEU 12 50.114 -10.908 1.603 88 1HB LEU 12 1HB LEU 12 52.889 -11.883 1.071 89 2HB LEU 12 2HB LEU 12 52.118 -10.906 -0.179 90 HG LEU 12 HG LEU 12 52.389 -10.113 2.735 91 1HD1 LEU 12 1HD1 LEU 12 53.960 -9.483 0.249 92 2HD1 LEU 12 2HD1 LEU 12 53.841 -8.286 1.540 93 3HD1 LEU 12 3HD1 LEU 12 54.549 -9.870 1.865 94 1HD2 LEU 12 1HD2 LEU 12 51.185 -8.789 0.299 95 2HD2 LEU 12 2HD2 LEU 12 50.427 -9.082 1.864 96 3HD2 LEU 12 3HD2 LEU 12 51.689 -7.859 1.710 97 H THR 13 H THR 13 49.740 -10.782 -0.873 98 HA THR 13 HA THR 13 48.985 -13.504 -1.890 99 HB THR 13 HB THR 13 47.181 -12.125 -3.087 100 HG1 THR 13 HG1 THR 13 47.678 -10.210 -1.104 101 1HG2 THR 13 1HG2 THR 13 47.385 -13.026 -0.360 102 2HG2 THR 13 2HG2 THR 13 46.353 -11.598 -0.433 103 3HG2 THR 13 3HG2 THR 13 45.973 -13.013 -1.415 104 H GLU 14 H GLU 14 49.084 -13.734 -4.259 105 HA GLU 14 HA GLU 14 51.472 -12.897 -5.477 106 1HB GLU 14 1HB GLU 14 49.654 -14.665 -6.093 107 2HB GLU 14 2HB GLU 14 48.915 -13.352 -7.009 108 1HG GLU 14 1HG GLU 14 50.301 -14.219 -8.642 109 2HG GLU 14 2HG GLU 14 51.408 -13.060 -7.906 110 H GLU 15 H GLU 15 48.216 -11.583 -6.231 111 HA GLU 15 HA GLU 15 48.934 -9.451 -7.875 112 1HB GLU 15 1HB GLU 15 46.742 -10.208 -6.082 113 2HB GLU 15 2HB GLU 15 46.888 -8.462 -6.275 114 1HG GLU 15 1HG GLU 15 46.771 -8.660 -8.689 115 2HG GLU 15 2HG GLU 15 46.816 -10.421 -8.587 116 H GLN 16 H GLN 16 48.492 -9.205 -4.316 117 HA GLN 16 HA GLN 16 49.388 -6.565 -3.964 118 1HB GLN 16 1HB GLN 16 48.370 -7.820 -2.187 119 2HB GLN 16 2HB GLN 16 49.614 -9.068 -2.273 120 1HG GLN 16 1HG GLN 16 49.895 -7.436 -0.359 121 2HG GLN 16 2HG GLN 16 51.292 -7.562 -1.428 122 1HE2 GLN 16 2HE2 GLN 16 48.714 -5.427 -0.345 123 2HE2 GLN 16 1HE2 GLN 16 49.245 -4.052 -1.188 124 H LYS 17 H LYS 17 51.346 -9.568 -3.907 125 HA LYS 17 HA LYS 17 53.875 -8.454 -3.358 126 1HB LYS 17 1HB LYS 17 52.716 -10.889 -4.311 127 2HB LYS 17 2HB LYS 17 54.105 -10.516 -5.332 128 1HG LYS 17 1HG LYS 17 55.334 -11.458 -3.672 129 2HG LYS 17 2HG LYS 17 55.070 -9.936 -2.820 130 1HD LYS 17 1HD LYS 17 54.157 -11.257 -1.208 131 2HD LYS 17 2HD LYS 17 52.744 -11.262 -2.263 132 1HE LYS 17 1HE LYS 17 52.965 -13.518 -2.367 133 2HE LYS 17 2HE LYS 17 54.447 -13.252 -3.306 134 1HZ LYS 17 1HZ LYS 17 55.500 -12.796 -1.030 135 2HZ LYS 17 2HZ LYS 17 54.153 -13.603 -0.388 136 3HZ LYS 17 3HZ LYS 17 55.198 -14.413 -1.455 137 H ASN 18 H ASN 18 52.160 -8.709 -6.471 138 HA ASN 18 HA ASN 18 54.335 -7.683 -8.080 139 1HB ASN 18 1HB ASN 18 51.329 -7.804 -8.499 140 2HB ASN 18 2HB ASN 18 52.516 -7.512 -9.771 141 1HD2 ASN 18 2HD2 ASN 18 50.604 -9.916 -8.968 142 2HD2 ASN 18 1HD2 ASN 18 51.627 -11.261 -9.133 143 H GLU 19 H GLU 19 52.108 -6.192 -5.927 144 HA GLU 19 HA GLU 19 52.010 -3.587 -7.256 145 1HB GLU 19 1HB GLU 19 50.614 -4.958 -5.281 146 2HB GLU 19 2HB GLU 19 51.466 -3.705 -4.377 147 1HG GLU 19 1HG GLU 19 50.145 -2.883 -6.922 148 2HG GLU 19 2HG GLU 19 49.097 -3.242 -5.549 149 H PHE 20 H PHE 20 53.699 -4.930 -4.396 150 HA PHE 20 HA PHE 20 55.167 -2.522 -3.791 151 1HB PHE 20 1HB PHE 20 55.629 -5.461 -3.184 152 2HB PHE 20 2HB PHE 20 56.502 -4.140 -2.406 153 HD1 PHE 20 HD1 PHE 20 54.574 -2.107 -1.859 154 HD2 PHE 20 HD2 PHE 20 54.066 -6.371 -1.710 155 HE1 PHE 20 HE1 PHE 20 52.719 -1.831 -0.236 156 HE2 PHE 20 HE2 PHE 20 52.210 -6.093 -0.088 157 HZ PHE 20 HZ PHE 20 51.537 -3.822 0.648 158 H LYS 21 H LYS 21 55.895 -5.412 -5.739 159 HA LYS 21 HA LYS 21 58.593 -5.152 -6.305 160 1HB LYS 21 1HB LYS 21 58.072 -6.326 -8.321 161 2HB LYS 21 2HB LYS 21 56.801 -6.776 -7.183 162 1HG LYS 21 1HG LYS 21 55.477 -6.199 -8.977 163 2HG LYS 21 2HG LYS 21 55.634 -4.606 -8.235 164 1HD LYS 21 1HD LYS 21 56.501 -3.892 -10.188 165 2HD LYS 21 2HD LYS 21 57.924 -4.866 -9.815 166 1HE LYS 21 1HE LYS 21 57.173 -5.580 -11.994 167 2HE LYS 21 2HE LYS 21 56.654 -6.846 -10.862 168 1HZ LYS 21 1HZ LYS 21 54.914 -4.524 -11.337 169 2HZ LYS 21 2HZ LYS 21 54.926 -5.786 -12.469 170 3HZ LYS 21 3HZ LYS 21 54.495 -6.099 -10.856 171 H ALA 22 H ALA 22 56.008 -3.000 -7.291 172 HA ALA 22 HA ALA 22 57.424 -1.614 -9.390 173 1HB ALA 22 1HB ALA 22 54.893 -1.635 -8.115 174 2HB ALA 22 2HB ALA 22 55.504 0.013 -7.975 175 3HB ALA 22 3HB ALA 22 55.350 -0.738 -9.564 176 H ALA 23 H ALA 23 56.603 -0.462 -6.093 177 HA ALA 23 HA ALA 23 58.202 1.822 -5.997 178 1HB ALA 23 1HB ALA 23 56.547 0.743 -4.314 179 2HB ALA 23 2HB ALA 23 57.956 -0.118 -3.695 180 3HB ALA 23 3HB ALA 23 57.910 1.644 -3.651 181 H PHE 24 H PHE 24 59.187 -1.541 -5.312 182 HA PHE 24 HA PHE 24 61.848 -1.019 -4.453 183 1HB PHE 24 1HB PHE 24 60.889 -3.177 -4.146 184 2HB PHE 24 2HB PHE 24 60.454 -3.311 -5.849 185 HD1 PHE 24 HD1 PHE 24 63.615 -2.423 -4.019 186 HD2 PHE 24 HD2 PHE 24 61.708 -4.942 -6.928 187 HE1 PHE 24 HE1 PHE 24 65.789 -3.520 -4.494 188 HE2 PHE 24 HE2 PHE 24 63.880 -6.038 -7.403 189 HZ PHE 24 HZ PHE 24 65.921 -5.328 -6.186 190 H ASP 25 H ASP 25 60.507 -1.472 -7.724 191 HA ASP 25 HA ASP 25 63.051 -1.428 -9.096 192 1HB ASP 25 1HB ASP 25 60.389 -1.943 -9.663 193 2HB ASP 25 2HB ASP 25 60.692 -0.449 -10.549 194 H ILE 26 H ILE 26 60.715 1.085 -8.183 195 HA ILE 26 HA ILE 26 62.092 3.196 -9.666 196 HB ILE 26 HB ILE 26 59.875 3.036 -7.616 197 1HG1 ILE 26 1HG1 ILE 26 58.808 4.146 -9.826 198 2HG1 ILE 26 2HG1 ILE 26 60.125 3.245 -10.578 199 1HG2 ILE 26 1HG2 ILE 26 61.505 5.317 -8.292 200 2HG2 ILE 26 2HG2 ILE 26 59.861 5.569 -8.876 201 3HG2 ILE 26 3HG2 ILE 26 60.147 5.225 -7.171 202 1HD1 ILE 26 1HD1 ILE 26 58.230 1.978 -8.592 203 2HD1 ILE 26 2HD1 ILE 26 57.912 1.988 -10.326 204 3HD1 ILE 26 3HD1 ILE 26 59.343 1.170 -9.698 205 H PHE 27 H PHE 27 62.019 2.039 -6.307 206 HA PHE 27 HA PHE 27 63.403 4.187 -5.058 207 1HB PHE 27 1HB PHE 27 63.196 1.209 -4.580 208 2HB PHE 27 2HB PHE 27 64.092 2.257 -3.482 209 HD1 PHE 27 HD1 PHE 27 62.389 4.730 -3.627 210 HD2 PHE 27 HD2 PHE 27 61.321 0.584 -3.274 211 HE1 PHE 27 HE1 PHE 27 60.271 5.370 -2.511 212 HE2 PHE 27 HE2 PHE 27 59.205 1.226 -2.156 213 HZ PHE 27 HZ PHE 27 58.679 3.619 -1.773 214 H VAL 28 H VAL 28 64.525 1.835 -7.331 215 HA VAL 28 HA VAL 28 67.361 2.598 -6.717 216 HB VAL 28 HB VAL 28 67.924 0.330 -7.457 217 1HG1 VAL 28 1HG1 VAL 28 66.841 0.949 -5.089 218 2HG1 VAL 28 2HG1 VAL 28 65.600 -0.170 -5.655 219 3HG1 VAL 28 3HG1 VAL 28 67.272 -0.711 -5.505 220 1HG2 VAL 28 1HG2 VAL 28 65.919 0.311 -9.092 221 2HG2 VAL 28 2HG2 VAL 28 66.322 -1.205 -8.284 222 3HG2 VAL 28 3HG2 VAL 28 64.970 -0.229 -7.707 223 H LEU 29 H LEU 29 65.233 3.699 -8.686 224 HA LEU 29 HA LEU 29 65.908 2.965 -11.355 225 1HB LEU 29 1HB LEU 29 64.102 4.570 -10.156 226 2HB LEU 29 2HB LEU 29 65.247 5.797 -10.704 227 HG LEU 29 HG LEU 29 64.533 3.687 -12.672 228 1HD1 LEU 29 1HD1 LEU 29 62.400 4.507 -11.375 229 2HD1 LEU 29 2HD1 LEU 29 62.634 5.988 -12.303 230 3HD1 LEU 29 3HD1 LEU 29 62.374 4.456 -13.137 231 1HD2 LEU 29 1HD2 LEU 29 65.051 6.666 -12.667 232 2HD2 LEU 29 2HD2 LEU 29 66.016 5.393 -13.416 233 3HD2 LEU 29 3HD2 LEU 29 64.449 5.828 -14.097 234 H GLY 30 H GLY 30 68.131 2.863 -11.796 235 1HA GLY 30 1HA GLY 30 69.894 4.277 -12.836 236 2HA GLY 30 2HA GLY 30 69.618 5.446 -11.545 237 H ALA 31 H ALA 31 69.382 3.305 -9.500 238 HA ALA 31 HA ALA 31 71.947 3.247 -8.418 239 1HB ALA 31 1HB ALA 31 69.421 2.113 -7.947 240 2HB ALA 31 2HB ALA 31 70.530 0.743 -7.985 241 3HB ALA 31 3HB ALA 31 70.807 2.071 -6.857 242 H GLU 32 H GLU 32 73.548 1.461 -8.321 243 HA GLU 32 HA GLU 32 73.734 0.009 -10.936 244 1HB GLU 32 1HB GLU 32 75.431 1.795 -9.635 245 2HB GLU 32 2HB GLU 32 76.149 0.219 -9.301 246 1HG GLU 32 1HG GLU 32 76.412 -0.282 -11.591 247 2HG GLU 32 2HG GLU 32 75.264 0.963 -12.085 248 H ASP 33 H ASP 33 73.474 -0.380 -7.510 249 HA ASP 33 HA ASP 33 74.479 -3.178 -7.594 250 1HB ASP 33 1HB ASP 33 73.609 -1.246 -5.430 251 2HB ASP 33 2HB ASP 33 74.029 -2.925 -5.088 252 H GLY 34 H GLY 34 71.562 -1.495 -7.996 253 1HA GLY 34 1HA GLY 34 69.390 -2.357 -8.330 254 2HA GLY 34 2HA GLY 34 70.021 -3.967 -7.980 255 H CYS 35 H CYS 35 70.798 -1.578 -5.649 256 HA CYS 35 HA CYS 35 68.602 -2.594 -3.870 257 1HB CYS 35 1HB CYS 35 71.550 -2.403 -3.618 258 2HB CYS 35 2HB CYS 35 70.641 -1.912 -2.188 259 HG CYS 35 HG CYS 35 69.690 -4.260 -1.956 260 H ILE 36 H ILE 36 68.794 -0.943 -1.758 261 HA ILE 36 HA ILE 36 68.451 1.795 -2.934 262 HB ILE 36 HB ILE 36 67.207 0.499 -0.492 263 1HG1 ILE 36 1HG1 ILE 36 66.050 1.082 -3.238 264 2HG1 ILE 36 2HG1 ILE 36 66.457 -0.521 -2.620 265 1HG2 ILE 36 1HG2 ILE 36 67.050 3.216 -1.741 266 2HG2 ILE 36 2HG2 ILE 36 65.595 2.538 -1.002 267 3HG2 ILE 36 3HG2 ILE 36 67.053 2.761 -0.036 268 1HD1 ILE 36 1HD1 ILE 36 64.893 0.285 -0.603 269 2HD1 ILE 36 2HD1 ILE 36 64.193 1.277 -1.881 270 3HD1 ILE 36 3HD1 ILE 36 64.226 -0.478 -2.046 271 H SER 37 H SER 37 69.153 3.587 -1.614 272 HA SER 37 HA SER 37 70.738 3.080 0.821 273 1HB SER 37 1HB SER 37 71.826 3.455 -1.899 274 2HB SER 37 2HB SER 37 72.574 4.455 -0.660 275 HG SER 37 HG SER 37 73.084 2.618 0.487 276 H THR 38 H THR 38 68.399 4.661 -0.043 277 HA THR 38 HA THR 38 67.488 6.771 0.537 278 HB THR 38 HB THR 38 68.691 8.103 2.021 279 HG1 THR 38 HG1 THR 38 70.289 8.720 0.570 280 1HG2 THR 38 1HG2 THR 38 69.000 5.388 2.354 281 2HG2 THR 38 2HG2 THR 38 70.656 5.977 2.492 282 3HG2 THR 38 3HG2 THR 38 69.403 6.610 3.560 283 H LYS 39 H LYS 39 70.745 7.072 -0.961 284 HA LYS 39 HA LYS 39 70.421 9.435 -2.396 285 1HB LYS 39 1HB LYS 39 71.901 6.886 -2.676 286 2HB LYS 39 2HB LYS 39 71.750 7.819 -4.164 287 1HG LYS 39 1HG LYS 39 72.617 9.119 -1.583 288 2HG LYS 39 2HG LYS 39 73.780 8.328 -2.646 289 1HD LYS 39 1HD LYS 39 73.763 10.067 -4.078 290 2HD LYS 39 2HD LYS 39 72.001 10.052 -4.160 291 1HE LYS 39 1HE LYS 39 73.432 11.207 -1.758 292 2HE LYS 39 2HE LYS 39 73.101 12.189 -3.198 293 1HZ LYS 39 1HZ LYS 39 70.762 11.174 -3.017 294 2HZ LYS 39 2HZ LYS 39 71.186 10.835 -1.408 295 3HZ LYS 39 3HZ LYS 39 71.174 12.439 -1.959 296 H GLU 40 H GLU 40 69.075 6.227 -3.122 297 HA GLU 40 HA GLU 40 67.849 7.234 -5.637 298 1HB GLU 40 1HB GLU 40 67.663 4.517 -4.297 299 2HB GLU 40 2HB GLU 40 67.356 4.893 -5.993 300 1HG GLU 40 1HG GLU 40 70.040 5.374 -4.685 301 2HG GLU 40 2HG GLU 40 69.632 3.853 -5.480 302 H LEU 41 H LEU 41 66.984 6.127 -2.393 303 HA LEU 41 HA LEU 41 64.126 6.115 -2.733 304 1HB LEU 41 1HB LEU 41 65.714 5.111 -0.929 305 2HB LEU 41 2HB LEU 41 65.641 6.706 -0.184 306 HG LEU 41 HG LEU 41 63.926 5.365 0.840 307 1HD1 LEU 41 1HD1 LEU 41 63.413 7.755 0.007 308 2HD1 LEU 41 2HD1 LEU 41 62.452 6.967 -1.248 309 3HD1 LEU 41 3HD1 LEU 41 62.042 6.738 0.454 310 1HD2 LEU 41 1HD2 LEU 41 63.545 4.456 -1.957 311 2HD2 LEU 41 2HD2 LEU 41 63.353 3.565 -0.448 312 3HD2 LEU 41 3HD2 LEU 41 62.072 4.639 -1.005 313 H GLY 42 H GLY 42 66.214 8.492 -1.033 314 1HA GLY 42 1HA GLY 42 64.281 10.460 -0.564 315 2HA GLY 42 2HA GLY 42 65.988 10.821 -0.813 316 H LYS 43 H LYS 43 65.725 9.552 -3.598 317 HA LYS 43 HA LYS 43 65.355 11.955 -5.084 318 1HB LYS 43 1HB LYS 43 66.182 9.317 -5.492 319 2HB LYS 43 2HB LYS 43 64.782 9.497 -6.549 320 1HG LYS 43 1HG LYS 43 65.859 11.724 -7.286 321 2HG LYS 43 2HG LYS 43 67.329 11.113 -6.530 322 1HD LYS 43 1HD LYS 43 67.597 10.344 -8.705 323 2HD LYS 43 2HD LYS 43 66.811 8.957 -7.950 324 1HE LYS 43 1HE LYS 43 64.605 9.784 -8.759 325 2HE LYS 43 2HE LYS 43 65.432 11.126 -9.576 326 1HZ LYS 43 1HZ LYS 43 66.881 8.937 -10.292 327 2HZ LYS 43 2HZ LYS 43 65.285 8.356 -10.325 328 3HZ LYS 43 3HZ LYS 43 65.720 9.706 -11.259 329 H VAL 44 H VAL 44 63.087 9.414 -4.144 330 HA VAL 44 HA VAL 44 60.924 10.410 -5.849 331 HB VAL 44 HB VAL 44 61.349 8.316 -3.735 332 1HG1 VAL 44 1HG1 VAL 44 59.171 9.373 -3.188 333 2HG1 VAL 44 2HG1 VAL 44 58.636 9.101 -4.846 334 3HG1 VAL 44 3HG1 VAL 44 58.970 7.729 -3.788 335 1HG2 VAL 44 1HG2 VAL 44 61.474 8.359 -6.497 336 2HG2 VAL 44 2HG2 VAL 44 61.296 6.909 -5.511 337 3HG2 VAL 44 3HG2 VAL 44 59.869 7.692 -6.197 338 H MET 45 H MET 45 61.961 10.781 -2.483 339 HA MET 45 HA MET 45 59.746 11.842 -1.203 340 1HB MET 45 1HB MET 45 62.616 12.833 -1.193 341 2HB MET 45 2HB MET 45 61.426 13.191 0.059 342 1HG MET 45 1HG MET 45 62.442 10.445 -0.723 343 2HG MET 45 2HG MET 45 62.789 11.301 0.779 344 1HE MET 45 1HE MET 45 60.946 8.674 -0.808 345 2HE MET 45 2HE MET 45 59.245 8.771 -0.360 346 3HE MET 45 3HE MET 45 59.912 9.924 -1.512 347 H ARG 46 H ARG 46 62.051 13.758 -3.178 348 HA ARG 46 HA ARG 46 60.603 16.214 -3.060 349 1HB ARG 46 1HB ARG 46 62.120 16.870 -4.796 350 2HB ARG 46 2HB ARG 46 63.000 15.701 -3.812 351 1HG ARG 46 1HG ARG 46 63.422 14.820 -5.905 352 2HG ARG 46 2HG ARG 46 61.912 13.983 -5.542 353 1HD ARG 46 1HD ARG 46 60.784 15.093 -7.180 354 2HD ARG 46 2HD ARG 46 61.516 16.648 -6.738 355 HE ARG 46 HE ARG 46 63.310 16.194 -8.240 356 1HH1 ARG 46 1HH1 ARG 46 63.053 13.189 -7.127 357 2HH1 ARG 46 2HH1 ARG 46 62.977 12.366 -8.650 358 1HH2 ARG 46 1HH2 ARG 46 62.453 15.261 -10.486 359 2HH2 ARG 46 2HH2 ARG 46 62.636 13.540 -10.552 360 H MET 47 H MET 47 60.075 13.304 -4.894 361 HA MET 47 HA MET 47 58.352 14.595 -6.907 362 1HB MET 47 1HB MET 47 59.809 12.174 -6.552 363 2HB MET 47 2HB MET 47 58.114 11.733 -6.764 364 1HG MET 47 1HG MET 47 58.485 13.719 -8.661 365 2HG MET 47 2HG MET 47 60.008 12.831 -8.710 366 1HE MET 47 1HE MET 47 59.950 10.434 -8.121 367 2HE MET 47 2HE MET 47 58.404 9.636 -7.801 368 3HE MET 47 3HE MET 47 59.267 9.322 -9.304 369 H LEU 48 H LEU 48 57.986 12.652 -3.952 370 HA LEU 48 HA LEU 48 55.098 12.346 -4.217 371 1HB LEU 48 1HB LEU 48 56.912 12.125 -1.792 372 2HB LEU 48 2HB LEU 48 55.312 11.406 -1.970 373 HG LEU 48 HG LEU 48 57.760 10.739 -3.634 374 1HD1 LEU 48 1HD1 LEU 48 56.229 9.223 -1.498 375 2HD1 LEU 48 2HD1 LEU 48 57.465 8.500 -2.532 376 3HD1 LEU 48 3HD1 LEU 48 57.899 9.785 -1.404 377 1HD2 LEU 48 1HD2 LEU 48 54.888 10.300 -4.028 378 2HD2 LEU 48 2HD2 LEU 48 56.219 10.087 -5.166 379 3HD2 LEU 48 3HD2 LEU 48 55.813 8.798 -4.033 380 H GLY 49 H GLY 49 57.106 14.951 -3.380 381 1HA GLY 49 1HA GLY 49 56.231 17.159 -2.925 382 2HA GLY 49 2HA GLY 49 54.775 16.415 -2.262 383 H GLN 50 H GLN 50 57.956 15.240 -1.404 384 HA GLN 50 HA GLN 50 57.761 16.611 1.250 385 1HB GLN 50 1HB GLN 50 57.088 13.952 0.688 386 2HB GLN 50 2HB GLN 50 58.705 13.854 1.387 387 1HG GLN 50 1HG GLN 50 57.766 14.099 3.419 388 2HG GLN 50 2HG GLN 50 57.323 15.742 2.954 389 1HE2 GLN 50 2HE2 GLN 50 55.134 16.082 3.333 390 2HE2 GLN 50 1HE2 GLN 50 53.908 14.938 3.073 391 H ASN 51 H ASN 51 59.958 15.614 2.481 392 HA ASN 51 HA ASN 51 62.300 15.236 0.869 393 1HB ASN 51 1HB ASN 51 63.205 17.574 1.148 394 2HB ASN 51 2HB ASN 51 61.799 17.479 0.088 395 1HD2 ASN 51 2HD2 ASN 51 61.945 19.947 0.961 396 2HD2 ASN 51 1HD2 ASN 51 60.959 20.264 2.306 397 HA PRO 52 HA PRO 52 62.774 14.532 5.376 398 1HB PRO 52 1HB PRO 52 64.061 12.135 5.096 399 2HB PRO 52 2HB PRO 52 62.292 12.287 5.098 400 1HG PRO 52 1HG PRO 52 64.163 11.961 2.809 401 2HG PRO 52 2HG PRO 52 62.549 11.278 3.055 402 1HD PRO 52 1HD PRO 52 63.062 13.429 1.446 403 2HD PRO 52 2HD PRO 52 61.499 13.134 2.236 404 H THR 53 H THR 53 64.897 14.081 6.587 405 HA THR 53 HA THR 53 67.067 15.626 5.322 406 HB THR 53 HB THR 53 67.967 14.936 7.777 407 HG1 THR 53 HG1 THR 53 66.425 13.752 8.606 408 1HG2 THR 53 1HG2 THR 53 67.484 17.220 6.921 409 2HG2 THR 53 2HG2 THR 53 65.773 16.963 7.266 410 3HG2 THR 53 3HG2 THR 53 66.941 17.003 8.586 411 HA PRO 54 HA PRO 54 69.681 12.229 4.405 412 1HB PRO 54 1HB PRO 54 72.139 13.099 5.223 413 2HB PRO 54 2HB PRO 54 71.303 13.762 3.806 414 1HG PRO 54 1HG PRO 54 71.593 14.894 6.533 415 2HG PRO 54 2HG PRO 54 71.544 15.715 4.966 416 1HD PRO 54 1HD PRO 54 69.430 15.572 6.732 417 2HD PRO 54 2HD PRO 54 69.276 15.879 4.989 418 H GLU 55 H GLU 55 70.127 13.485 7.711 419 HA GLU 55 HA GLU 55 71.455 11.158 8.767 420 1HB GLU 55 1HB GLU 55 69.918 13.506 9.869 421 2HB GLU 55 2HB GLU 55 70.521 12.245 10.946 422 1HG GLU 55 1HG GLU 55 72.806 12.585 10.009 423 2HG GLU 55 2HG GLU 55 72.180 13.912 9.031 424 H GLU 56 H GLU 56 68.028 12.110 8.570 425 HA GLU 56 HA GLU 56 67.153 9.705 10.026 426 1HB GLU 56 1HB GLU 56 66.118 12.033 10.099 427 2HB GLU 56 2HB GLU 56 65.527 11.729 8.465 428 1HG GLU 56 1HG GLU 56 64.345 9.711 9.270 429 2HG GLU 56 2HG GLU 56 64.919 10.035 10.906 430 H LEU 57 H LEU 57 67.549 10.748 6.696 431 HA LEU 57 HA LEU 57 65.839 9.166 5.217 432 1HB LEU 57 1HB LEU 57 68.306 10.510 4.891 433 2HB LEU 57 2HB LEU 57 68.537 8.900 4.208 434 HG LEU 57 HG LEU 57 66.340 10.865 3.497 435 1HD1 LEU 57 1HD1 LEU 57 68.980 10.228 2.417 436 2HD1 LEU 57 2HD1 LEU 57 67.704 10.039 1.214 437 3HD1 LEU 57 3HD1 LEU 57 67.914 11.583 2.040 438 1HD2 LEU 57 1HD2 LEU 57 65.643 8.418 3.552 439 2HD2 LEU 57 2HD2 LEU 57 65.499 9.195 1.976 440 3HD2 LEU 57 3HD2 LEU 57 66.858 8.123 2.310 441 H GLN 58 H GLN 58 69.047 8.036 6.367 442 HA GLN 58 HA GLN 58 68.981 5.376 5.578 443 1HB GLN 58 1HB GLN 58 70.255 7.031 7.585 444 2HB GLN 58 2HB GLN 58 69.973 5.411 8.223 445 1HG GLN 58 1HG GLN 58 71.107 5.727 5.460 446 2HG GLN 58 2HG GLN 58 72.169 5.907 6.858 447 1HE2 GLN 58 2HE2 GLN 58 71.456 3.627 4.685 448 2HE2 GLN 58 1HE2 GLN 58 71.482 2.232 5.650 449 H GLU 59 H GLU 59 67.182 6.866 8.238 450 HA GLU 59 HA GLU 59 66.329 4.691 9.745 451 1HB GLU 59 1HB GLU 59 65.742 7.066 10.110 452 2HB GLU 59 2HB GLU 59 64.688 7.022 8.697 453 1HG GLU 59 1HG GLU 59 63.066 6.486 10.198 454 2HG GLU 59 2HG GLU 59 63.767 4.869 10.114 455 H MET 60 H MET 60 64.721 5.882 6.761 456 HA MET 60 HA MET 60 62.689 3.998 6.489 457 1HB MET 60 1HB MET 60 64.260 5.791 4.822 458 2HB MET 60 2HB MET 60 63.787 4.349 3.923 459 1HG MET 60 1HG MET 60 61.707 5.176 3.711 460 2HG MET 60 2HG MET 60 61.536 5.165 5.467 461 1HE MET 60 1HE MET 60 62.076 6.643 2.362 462 2HE MET 60 2HE MET 60 60.905 7.911 2.712 463 3HE MET 60 3HE MET 60 62.617 8.312 2.516 464 H ILE 61 H ILE 61 66.094 3.634 5.457 465 HA ILE 61 HA ILE 61 65.689 0.874 4.570 466 HB ILE 61 HB ILE 61 68.000 2.785 4.915 467 1HG1 ILE 61 1HG1 ILE 61 68.064 2.024 2.358 468 2HG1 ILE 61 2HG1 ILE 61 66.373 1.639 2.682 469 1HG2 ILE 61 1HG2 ILE 61 68.769 0.482 5.501 470 2HG2 ILE 61 2HG2 ILE 61 68.180 -0.080 3.937 471 3HG2 ILE 61 3HG2 ILE 61 69.501 1.086 4.014 472 1HD1 ILE 61 1HD1 ILE 61 67.680 4.322 3.221 473 2HD1 ILE 61 2HD1 ILE 61 66.641 3.960 1.844 474 3HD1 ILE 61 3HD1 ILE 61 65.980 3.926 3.478 475 H ASP 62 H ASP 62 66.794 2.508 7.493 476 HA ASP 62 HA ASP 62 68.047 0.229 8.745 477 1HB ASP 62 1HB ASP 62 67.182 2.975 9.387 478 2HB ASP 62 2HB ASP 62 67.168 1.879 10.769 479 H GLU 63 H GLU 63 64.773 1.653 9.037 480 HA GLU 63 HA GLU 63 63.635 0.056 11.005 481 1HB GLU 63 1HB GLU 63 62.807 1.628 8.718 482 2HB GLU 63 2HB GLU 63 61.744 0.233 8.915 483 1HG GLU 63 1HG GLU 63 62.483 1.778 11.364 484 2HG GLU 63 2HG GLU 63 61.314 2.499 10.256 485 H VAL 64 H VAL 64 64.657 -0.922 7.802 486 HA VAL 64 HA VAL 64 63.747 -3.708 8.426 487 HB VAL 64 HB VAL 64 63.169 -3.867 5.987 488 1HG1 VAL 64 1HG1 VAL 64 61.779 -2.510 8.075 489 2HG1 VAL 64 2HG1 VAL 64 61.459 -1.645 6.571 490 3HG1 VAL 64 3HG1 VAL 64 61.093 -3.366 6.694 491 1HG2 VAL 64 1HG2 VAL 64 64.561 -1.366 5.960 492 2HG2 VAL 64 2HG2 VAL 64 63.889 -2.252 4.591 493 3HG2 VAL 64 3HG2 VAL 64 62.897 -1.073 5.451 494 H ASP 65 H ASP 65 66.280 -3.223 9.067 495 HA ASP 65 HA ASP 65 67.896 -4.133 6.704 496 1HB ASP 65 1HB ASP 65 68.124 -1.759 7.952 497 2HB ASP 65 2HB ASP 65 69.151 -2.723 9.015 498 H GLU 66 H GLU 66 67.608 -6.378 7.298 499 HA GLU 66 HA GLU 66 68.505 -7.218 10.000 500 1HB GLU 66 1HB GLU 66 67.201 -8.542 7.612 501 2HB GLU 66 2HB GLU 66 67.755 -9.473 9.006 502 1HG GLU 66 1HG GLU 66 66.136 -8.614 10.399 503 2HG GLU 66 2HG GLU 66 66.080 -7.068 9.554 504 H ASP 67 H ASP 67 70.234 -6.239 7.546 505 HA ASP 67 HA ASP 67 72.257 -8.430 7.811 506 1HB ASP 67 1HB ASP 67 72.700 -7.933 5.318 507 2HB ASP 67 2HB ASP 67 71.224 -8.820 5.699 508 H GLY 68 H GLY 68 71.656 -5.375 8.584 509 1HA GLY 68 1HA GLY 68 72.931 -3.418 8.839 510 2HA GLY 68 2HA GLY 68 74.276 -4.539 9.051 511 H SER 69 H SER 69 72.501 -4.493 6.044 512 HA SER 69 HA SER 69 74.949 -3.832 4.573 513 1HB SER 69 1HB SER 69 73.347 -4.146 2.634 514 2HB SER 69 2HB SER 69 73.434 -5.516 3.737 515 HG SER 69 HG SER 69 71.325 -4.010 3.081 516 H GLY 70 H GLY 70 72.375 -2.041 5.948 517 1HA GLY 70 1HA GLY 70 71.895 0.258 5.866 518 2HA GLY 70 2HA GLY 70 73.410 0.466 4.985 519 H THR 71 H THR 71 71.353 -1.839 3.554 520 HA THR 71 HA THR 71 70.101 0.188 1.750 521 HB THR 71 HB THR 71 70.965 -1.102 -0.185 522 HG1 THR 71 HG1 THR 71 72.619 -2.670 0.342 523 1HG2 THR 71 1HG2 THR 71 72.270 0.798 0.946 524 2HG2 THR 71 2HG2 THR 71 73.275 -0.467 1.655 525 3HG2 THR 71 3HG2 THR 71 73.194 -0.282 -0.097 526 H VAL 72 H VAL 72 68.430 -0.894 0.312 527 HA VAL 72 HA VAL 72 67.049 -3.058 1.832 528 HB VAL 72 HB VAL 72 66.207 -1.022 -0.254 529 1HG1 VAL 72 1HG1 VAL 72 64.934 -3.554 0.611 530 2HG1 VAL 72 2HG1 VAL 72 63.880 -2.140 0.645 531 3HG1 VAL 72 3HG1 VAL 72 64.678 -2.609 -0.857 532 1HG2 VAL 72 1HG2 VAL 72 66.529 -0.357 2.177 533 2HG2 VAL 72 2HG2 VAL 72 64.905 -0.088 1.544 534 3HG2 VAL 72 3HG2 VAL 72 65.229 -1.478 2.579 535 H ASP 73 H ASP 73 66.292 -4.943 0.696 536 HA ASP 73 HA ASP 73 67.549 -5.411 -1.989 537 1HB ASP 73 1HB ASP 73 68.525 -6.422 0.247 538 2HB ASP 73 2HB ASP 73 67.192 -7.560 0.055 539 H PHE 74 H PHE 74 64.723 -4.889 -0.684 540 HA PHE 74 HA PHE 74 62.542 -5.358 -1.536 541 1HB PHE 74 1HB PHE 74 63.987 -6.178 -3.561 542 2HB PHE 74 2HB PHE 74 63.674 -7.788 -2.912 543 HD1 PHE 74 HD1 PHE 74 61.531 -4.716 -3.055 544 HD2 PHE 74 HD2 PHE 74 62.056 -8.805 -4.258 545 HE1 PHE 74 HE1 PHE 74 59.278 -4.700 -4.089 546 HE2 PHE 74 HE2 PHE 74 59.803 -8.789 -5.293 547 HZ PHE 74 HZ PHE 74 58.414 -6.738 -5.209 548 H ASP 75 H ASP 75 64.659 -7.788 -0.142 549 HA ASP 75 HA ASP 75 62.503 -9.581 0.686 550 1HB ASP 75 1HB ASP 75 65.455 -9.263 1.064 551 2HB ASP 75 2HB ASP 75 64.586 -10.275 2.219 552 H GLU 76 H GLU 76 64.411 -6.971 2.152 553 HA GLU 76 HA GLU 76 63.043 -7.233 4.750 554 1HB GLU 76 1HB GLU 76 64.880 -5.050 3.720 555 2HB GLU 76 2HB GLU 76 64.595 -5.505 5.400 556 1HG GLU 76 1HG GLU 76 65.726 -7.598 5.120 557 2HG GLU 76 2HG GLU 76 65.773 -7.412 3.367 558 H PHE 77 H PHE 77 62.747 -5.449 1.775 559 HA PHE 77 HA PHE 77 61.310 -3.145 2.612 560 1HB PHE 77 1HB PHE 77 62.261 -3.566 0.369 561 2HB PHE 77 2HB PHE 77 61.080 -4.848 0.108 562 HD1 PHE 77 HD1 PHE 77 61.510 -1.193 0.582 563 HD2 PHE 77 HD2 PHE 77 58.802 -4.356 -0.476 564 HE1 PHE 77 HE1 PHE 77 59.874 0.480 -0.237 565 HE2 PHE 77 HE2 PHE 77 57.166 -2.681 -1.294 566 HZ PHE 77 HZ PHE 77 57.702 -0.263 -1.174 567 H LEU 78 H LEU 78 60.035 -6.292 1.451 568 HA LEU 78 HA LEU 78 57.302 -5.923 1.677 569 1HB LEU 78 1HB LEU 78 59.175 -8.201 2.281 570 2HB LEU 78 2HB LEU 78 57.442 -8.410 2.538 571 HG LEU 78 HG LEU 78 58.718 -7.502 -0.059 572 1HD1 LEU 78 1HD1 LEU 78 57.586 -10.162 0.847 573 2HD1 LEU 78 2HD1 LEU 78 57.876 -9.760 -0.846 574 3HD1 LEU 78 3HD1 LEU 78 59.226 -9.831 0.287 575 1HD2 LEU 78 1HD2 LEU 78 55.936 -7.690 0.959 576 2HD2 LEU 78 2HD2 LEU 78 56.606 -6.652 -0.300 577 3HD2 LEU 78 3HD2 LEU 78 56.202 -8.329 -0.663 578 H VAL 79 H VAL 79 59.632 -6.222 4.308 579 HA VAL 79 HA VAL 79 57.642 -6.561 6.412 580 HB VAL 79 HB VAL 79 60.573 -5.790 6.338 581 1HG1 VAL 79 1HG1 VAL 79 59.366 -4.969 8.390 582 2HG1 VAL 79 2HG1 VAL 79 58.921 -6.640 8.733 583 3HG1 VAL 79 3HG1 VAL 79 60.619 -6.161 8.731 584 1HG2 VAL 79 1HG2 VAL 79 60.012 -8.073 5.549 585 2HG2 VAL 79 2HG2 VAL 79 60.898 -8.119 7.073 586 3HG2 VAL 79 3HG2 VAL 79 59.153 -8.375 7.059 587 H MET 80 H MET 80 59.431 -3.825 5.018 588 HA MET 80 HA MET 80 58.812 -1.824 6.923 589 1HB MET 80 1HB MET 80 60.211 -1.989 4.628 590 2HB MET 80 2HB MET 80 58.775 -1.168 4.015 591 1HG MET 80 1HG MET 80 59.059 0.670 5.484 592 2HG MET 80 2HG MET 80 60.190 -0.218 6.505 593 1HE MET 80 1HE MET 80 59.692 0.231 2.708 594 2HE MET 80 2HE MET 80 59.623 1.887 3.326 595 3HE MET 80 3HE MET 80 60.944 1.390 2.270 596 H MET 81 H MET 81 56.891 -3.043 4.182 597 HA MET 81 HA MET 81 54.785 -1.062 4.460 598 1HB MET 81 1HB MET 81 55.204 -3.674 3.022 599 2HB MET 81 2HB MET 81 53.618 -2.900 3.008 600 1HG MET 81 1HG MET 81 56.124 -1.378 2.290 601 2HG MET 81 2HG MET 81 55.223 -2.298 1.085 602 1HE MET 81 1HE MET 81 55.876 0.207 0.546 603 2HE MET 81 2HE MET 81 54.514 1.305 0.282 604 3HE MET 81 3HE MET 81 55.491 1.443 1.742 605 H VAL 82 H VAL 82 55.281 -4.373 5.667 606 HA VAL 82 HA VAL 82 52.699 -4.931 6.666 607 HB VAL 82 HB VAL 82 55.384 -5.564 7.936 608 1HG1 VAL 82 1HG1 VAL 82 52.599 -6.623 8.188 609 2HG1 VAL 82 2HG1 VAL 82 53.933 -7.774 8.287 610 3HG1 VAL 82 3HG1 VAL 82 53.841 -6.430 9.425 611 1HG2 VAL 82 1HG2 VAL 82 54.588 -6.081 5.317 612 2HG2 VAL 82 2HG2 VAL 82 55.845 -6.944 6.202 613 3HG2 VAL 82 3HG2 VAL 82 54.201 -7.574 6.172 614 H ARG 83 H ARG 83 55.402 -3.225 8.269 615 HA ARG 83 HA ARG 83 54.277 -2.741 10.790 616 1HB ARG 83 1HB ARG 83 56.137 -1.273 8.941 617 2HB ARG 83 2HB ARG 83 55.670 -0.521 10.467 618 1HG ARG 83 1HG ARG 83 56.385 -2.626 11.644 619 2HG ARG 83 2HG ARG 83 57.010 -3.216 10.103 620 1HD ARG 83 1HD ARG 83 58.718 -1.608 10.031 621 2HD ARG 83 2HD ARG 83 57.867 -0.515 11.140 622 HE ARG 83 HE ARG 83 59.069 -3.123 11.997 623 1HH1 ARG 83 1HH1 ARG 83 57.008 -1.835 13.788 624 2HH1 ARG 83 2HH1 ARG 83 58.006 -0.924 14.872 625 1HH2 ARG 83 1HH2 ARG 83 60.820 -1.105 12.853 626 2HH2 ARG 83 2HH2 ARG 83 60.164 -0.507 14.341 627 H CYS 84 H CYS 84 53.547 -1.177 7.707 628 HA CYS 84 HA CYS 84 51.997 1.000 8.875 629 1HB CYS 84 1HB CYS 84 53.203 0.952 6.647 630 2HB CYS 84 2HB CYS 84 51.949 -0.143 6.068 631 HG CYS 84 HG CYS 84 51.616 2.869 6.517 632 H MET 85 H MET 85 51.404 -2.277 8.704 633 HA MET 85 HA MET 85 48.479 -1.838 8.999 634 1HB MET 85 1HB MET 85 48.044 -3.609 7.313 635 2HB MET 85 2HB MET 85 48.908 -2.245 6.605 636 1HG MET 85 1HG MET 85 50.842 -3.444 6.312 637 2HG MET 85 2HG MET 85 50.576 -4.424 7.753 638 1HE MET 85 1HE MET 85 49.224 -3.283 4.619 639 2HE MET 85 2HE MET 85 49.188 -4.694 3.552 640 3HE MET 85 3HE MET 85 47.766 -4.264 4.500 641 H LYS 86 H LYS 86 50.448 -2.543 10.964 642 HA LYS 86 HA LYS 86 49.447 -5.257 11.704 643 1HB LYS 86 1HB LYS 86 52.090 -4.522 10.814 644 2HB LYS 86 2HB LYS 86 52.165 -5.070 12.489 645 1HG LYS 86 1HG LYS 86 50.497 -6.666 10.599 646 2HG LYS 86 2HG LYS 86 52.249 -6.793 10.442 647 1HD LYS 86 1HD LYS 86 52.408 -8.041 12.314 648 2HD LYS 86 2HD LYS 86 51.427 -6.897 13.230 649 1HE LYS 86 1HE LYS 86 49.549 -8.163 12.994 650 2HE LYS 86 2HE LYS 86 49.877 -8.467 11.275 651 1HZ LYS 86 1HZ LYS 86 51.663 -9.988 11.960 652 2HZ LYS 86 2HZ LYS 86 51.228 -9.764 13.583 653 3HZ LYS 86 3HZ LYS 86 50.142 -10.507 12.509 654 H ASP 87 H ASP 87 49.047 -2.365 12.617 655 HA ASP 87 HA ASP 87 50.275 -2.301 15.297 656 1HB ASP 87 1HB ASP 87 48.131 -0.515 14.120 657 2HB ASP 87 2HB ASP 87 49.306 -0.110 15.371 658 H ASP 88 H ASP 88 48.906 -2.167 17.252 659 HA ASP 88 HA ASP 88 46.114 -3.123 17.031 660 1HB ASP 88 1HB ASP 88 48.114 -4.962 17.112 661 2HB ASP 88 2HB ASP 88 47.839 -4.725 18.839 662 H SER 89 H SER 89 46.095 -3.990 19.824 663 HA SER 89 HA SER 89 45.952 -1.334 21.094 664 1HB SER 89 1HB SER 89 45.310 -3.273 22.965 665 2HB SER 89 2HB SER 89 44.165 -2.503 21.871 666 HG SER 89 HG SER 89 45.400 -5.011 21.730 667 1H ARG 1 1H ARG 1 57.810 6.902 7.752 668 2H ARG 1 2H ARG 1 57.799 6.236 9.312 669 3H ARG 1 3H ARG 1 58.216 5.268 7.979 670 HA ARG 1 HA ARG 1 56.045 4.609 8.291 671 1HB ARG 1 1HB ARG 1 55.741 6.123 10.185 672 2HB ARG 1 2HB ARG 1 55.636 7.508 9.097 673 1HG ARG 1 1HG ARG 1 53.498 6.994 8.422 674 2HG ARG 1 2HG ARG 1 53.749 5.257 8.598 675 1HD ARG 1 1HD ARG 1 53.567 5.417 11.022 676 2HD ARG 1 2HD ARG 1 53.475 7.187 10.931 677 HE ARG 1 HE ARG 1 51.399 5.341 9.813 678 1HH1 ARG 1 1HH2 ARG 1 51.790 7.644 12.133 679 2HH1 ARG 1 2HH2 ARG 1 50.543 8.710 11.580 680 1HH2 ARG 1 1HH1 ARG 1 50.081 7.043 8.576 681 2HH2 ARG 1 2HH1 ARG 1 49.575 8.371 9.567 682 H ILE 2 H ILE 2 57.172 5.078 5.856 683 HA ILE 2 HA ILE 2 56.069 7.043 4.156 684 HB ILE 2 HB ILE 2 57.037 4.205 3.809 685 1HG1 ILE 2 1HG1 ILE 2 58.111 6.906 2.928 686 2HG1 ILE 2 2HG1 ILE 2 58.660 6.004 4.340 687 1HG2 ILE 2 1HG2 ILE 2 55.670 5.968 1.826 688 2HG2 ILE 2 2HG2 ILE 2 57.100 5.093 1.277 689 3HG2 ILE 2 3HG2 ILE 2 55.717 4.207 1.921 690 1HD1 ILE 2 1HD1 ILE 2 58.720 4.863 1.536 691 2HD1 ILE 2 2HD1 ILE 2 60.086 5.715 2.255 692 3HD1 ILE 2 3HD1 ILE 2 59.503 4.216 2.978 693 H SER 3 H SER 3 54.188 7.053 2.824 694 HA SER 3 HA SER 3 51.907 5.509 3.889 695 1HB SER 3 1HB SER 3 51.838 7.424 1.572 696 2HB SER 3 2HB SER 3 50.629 7.163 2.826 697 HG SER 3 HG SER 3 51.909 8.246 4.268 698 H ALA 4 H ALA 4 50.590 5.712 1.182 699 HA ALA 4 HA ALA 4 52.100 3.766 -0.462 700 1HB ALA 4 1HB ALA 4 49.797 3.177 1.314 701 2HB ALA 4 2HB ALA 4 49.706 2.476 -0.302 702 3HB ALA 4 3HB ALA 4 51.077 2.106 0.744 703 H ASP 5 H ASP 5 48.965 5.424 0.022 704 HA ASP 5 HA ASP 5 48.305 5.386 -2.821 705 1HB ASP 5 1HB ASP 5 47.200 6.978 -0.483 706 2HB ASP 5 2HB ASP 5 46.404 6.750 -2.040 707 H ALA 6 H ALA 6 49.697 7.733 -0.546 708 HA ALA 6 HA ALA 6 49.647 10.002 -2.323 709 1HB ALA 6 1HB ALA 6 50.068 9.642 0.286 710 2HB ALA 6 2HB ALA 6 51.755 9.615 -0.230 711 3HB ALA 6 3HB ALA 6 50.754 11.031 -0.558 712 H MET 7 H MET 7 51.962 7.377 -1.774 713 HA MET 7 HA MET 7 54.124 8.534 -3.305 714 1HB MET 7 1HB MET 7 54.267 6.734 -1.560 715 2HB MET 7 2HB MET 7 53.471 5.635 -2.686 716 1HG MET 7 1HG MET 7 55.302 5.979 -4.312 717 2HG MET 7 2HG MET 7 56.103 7.060 -3.174 718 1HE MET 7 1HE MET 7 55.988 4.254 -4.780 719 2HE MET 7 2HE MET 7 57.533 3.682 -4.137 720 3HE MET 7 3HE MET 7 56.049 2.797 -3.793 721 H MET 8 H MET 8 51.723 5.982 -4.088 722 HA MET 8 HA MET 8 52.516 5.614 -6.805 723 1HB MET 8 1HB MET 8 50.201 5.026 -5.042 724 2HB MET 8 2HB MET 8 49.867 4.998 -6.774 725 1HG MET 8 1HG MET 8 50.616 2.842 -6.583 726 2HG MET 8 2HG MET 8 52.191 3.620 -6.746 727 1HE MET 8 1HE MET 8 53.971 3.143 -5.397 728 2HE MET 8 2HE MET 8 53.508 4.603 -4.523 729 3HE MET 8 3HE MET 8 53.996 3.152 -3.636 730 H GLN 9 H GLN 9 50.918 8.252 -5.290 731 HA GLN 9 HA GLN 9 49.410 9.143 -7.637 732 1HB GLN 9 1HB GLN 9 49.506 9.631 -4.875 733 2HB GLN 9 2HB GLN 9 50.023 11.147 -5.613 734 1HG GLN 9 1HG GLN 9 48.012 11.408 -6.793 735 2HG GLN 9 2HG GLN 9 47.608 9.696 -6.671 736 1HE2 GLN 9 2HE2 GLN 9 45.544 10.071 -5.617 737 2HE2 GLN 9 1HE2 GLN 9 45.443 10.668 -4.031 738 H ALA 10 H ALA 10 52.256 10.449 -5.881 739 HA ALA 10 HA ALA 10 52.950 12.182 -8.163 740 1HB ALA 10 1HB ALA 10 53.260 12.215 -5.402 741 2HB ALA 10 2HB ALA 10 54.885 11.850 -5.984 742 3HB ALA 10 3HB ALA 10 54.060 13.310 -6.529 743 H LEU 11 H LEU 11 54.301 9.358 -6.474 744 HA LEU 11 HA LEU 11 56.641 9.111 -8.163 745 1HB LEU 11 1HB LEU 11 55.749 8.167 -5.756 746 2HB LEU 11 2HB LEU 11 55.544 6.748 -6.770 747 HG LEU 11 HG LEU 11 58.097 8.344 -6.452 748 1HD1 LEU 11 1HD1 LEU 11 57.457 6.903 -4.509 749 2HD1 LEU 11 2HD1 LEU 11 57.414 5.514 -5.596 750 3HD1 LEU 11 3HD1 LEU 11 58.934 6.360 -5.304 751 1HD2 LEU 11 1HD2 LEU 11 57.395 7.062 -8.701 752 2HD2 LEU 11 2HD2 LEU 11 59.052 7.053 -8.103 753 3HD2 LEU 11 3HD2 LEU 11 57.994 5.678 -7.786 754 H LEU 12 H LEU 12 53.978 6.747 -7.807 755 HA LEU 12 HA LEU 12 54.349 6.019 -10.676 756 1HB LEU 12 1HB LEU 12 52.973 4.628 -8.354 757 2HB LEU 12 2HB LEU 12 53.201 3.937 -9.957 758 HG LEU 12 HG LEU 12 55.027 3.026 -8.859 759 1HD1 LEU 12 1HD1 LEU 12 55.700 4.747 -10.736 760 2HD1 LEU 12 2HD1 LEU 12 56.390 5.649 -9.386 761 3HD1 LEU 12 3HD1 LEU 12 56.948 4.012 -9.731 762 1HD2 LEU 12 1HD2 LEU 12 54.494 5.151 -6.999 763 2HD2 LEU 12 2HD2 LEU 12 55.407 3.665 -6.739 764 3HD2 LEU 12 3HD2 LEU 12 56.225 5.108 -7.340 765 H GLY 13 H GLY 13 52.960 8.387 -10.441 766 1HA GLY 13 1HA GLY 13 50.103 7.563 -10.785 767 2HA GLY 13 2HA GLY 13 50.588 9.156 -10.200 768 H ALA 14 H ALA 14 50.229 7.137 -13.023 769 HA ALA 14 HA ALA 14 50.175 9.490 -14.761 770 1HB ALA 14 1HB ALA 14 52.539 7.673 -14.512 771 2HB ALA 14 2HB ALA 14 52.126 8.268 -16.120 772 3HB ALA 14 3HB ALA 14 52.492 9.407 -14.823 773 H ARG 15 H ARG 15 49.396 8.931 -16.896 774 HA ARG 15 HA ARG 15 47.927 6.362 -16.971 775 1HB ARG 15 1HB ARG 15 47.310 8.917 -17.636 776 2HB ARG 15 2HB ARG 15 47.850 8.323 -19.206 777 1HG ARG 15 1HG ARG 15 46.057 6.944 -19.445 778 2HG ARG 15 2HG ARG 15 46.066 6.482 -17.742 779 1HD ARG 15 1HD ARG 15 45.286 9.039 -17.449 780 2HD ARG 15 2HD ARG 15 44.643 8.739 -19.077 781 HE ARG 15 HE ARG 15 43.521 7.657 -16.699 782 1HH1 ARG 15 1HH1 ARG 15 43.767 7.241 -20.042 783 2HH1 ARG 15 2HH1 ARG 15 43.072 5.654 -20.064 784 1HH2 ARG 15 1HH2 ARG 15 42.993 5.353 -16.610 785 2HH2 ARG 15 2HH2 ARG 15 42.631 4.587 -18.122 786 H ALA 16 H ALA 16 47.840 5.970 -19.752 787 HA ALA 16 HA ALA 16 50.643 5.071 -20.300 788 1HB ALA 16 1HB ALA 16 48.374 3.628 -20.101 789 2HB ALA 16 2HB ALA 16 48.286 4.047 -21.813 790 3HB ALA 16 3HB ALA 16 49.685 3.172 -21.190 791 H LYS 17 H LYS 17 49.823 7.792 -20.879 792 HA LYS 17 HA LYS 17 48.893 8.370 -23.446 793 1HB LYS 17 1HB LYS 17 51.052 9.552 -21.693 794 2HB LYS 17 2HB LYS 17 50.597 10.307 -23.220 795 1HG LYS 17 1HG LYS 17 48.562 10.992 -22.430 796 2HG LYS 17 2HG LYS 17 48.352 9.553 -21.432 797 1HD LYS 17 1HD LYS 17 48.937 10.790 -19.644 798 2HD LYS 17 2HD LYS 17 50.557 10.919 -20.332 799 1HE LYS 17 1HE LYS 17 48.276 12.786 -21.065 800 2HE LYS 17 2HE LYS 17 49.512 13.160 -19.847 801 1HZ LYS 17 1HZ LYS 17 50.487 12.117 -22.377 802 2HZ LYS 17 2HZ LYS 17 49.828 13.679 -22.440 803 3HZ LYS 17 3HZ LYS 17 51.123 13.346 -21.392 Start of MODEL 31 1 1H MET 1 1H MET 1 59.254 -12.727 20.300 2 2H MET 1 2H MET 1 59.499 -14.394 20.522 3 3H MET 1 3H MET 1 59.968 -13.650 19.068 4 HA MET 1 HA MET 1 57.912 -14.865 18.722 5 1HB MET 1 1HB MET 1 57.561 -14.142 21.361 6 2HB MET 1 2HB MET 1 56.400 -13.104 20.532 7 1HG MET 1 1HG MET 1 55.113 -14.870 19.827 8 2HG MET 1 2HG MET 1 56.500 -15.949 19.666 9 1HE MET 1 1HE MET 1 53.439 -15.484 21.138 10 2HE MET 1 2HE MET 1 53.474 -15.784 22.874 11 3HE MET 1 3HE MET 1 54.002 -14.225 22.246 12 H ASP 2 H ASP 2 59.316 -12.010 18.329 13 HA ASP 2 HA ASP 2 57.229 -10.215 17.502 14 1HB ASP 2 1HB ASP 2 59.519 -9.532 18.039 15 2HB ASP 2 2HB ASP 2 60.145 -10.503 16.708 16 H ASP 3 H ASP 3 56.062 -12.197 16.348 17 HA ASP 3 HA ASP 3 57.097 -12.625 13.589 18 1HB ASP 3 1HB ASP 3 55.418 -14.015 15.557 19 2HB ASP 3 2HB ASP 3 54.750 -14.062 13.925 20 H ILE 4 H ILE 4 56.235 -9.998 13.974 21 HA ILE 4 HA ILE 4 53.430 -9.841 13.006 22 HB ILE 4 HB ILE 4 54.118 -8.382 14.823 23 1HG1 ILE 4 1HG1 ILE 4 53.894 -6.103 13.595 24 2HG1 ILE 4 2HG1 ILE 4 53.737 -7.074 12.131 25 1HG2 ILE 4 1HG2 ILE 4 56.514 -8.137 13.146 26 2HG2 ILE 4 2HG2 ILE 4 55.947 -6.591 13.776 27 3HG2 ILE 4 3HG2 ILE 4 56.333 -7.906 14.885 28 1HD1 ILE 4 1HD1 ILE 4 52.065 -7.786 14.512 29 2HD1 ILE 4 2HD1 ILE 4 51.591 -6.403 13.527 30 3HD1 ILE 4 3HD1 ILE 4 51.716 -8.004 12.797 31 H TYR 5 H TYR 5 56.723 -9.511 11.866 32 HA TYR 5 HA TYR 5 55.745 -8.369 9.279 33 1HB TYR 5 1HB TYR 5 58.529 -8.635 10.461 34 2HB TYR 5 2HB TYR 5 58.117 -7.767 8.980 35 HD1 TYR 5 HD1 TYR 5 55.453 -6.627 9.947 36 HD2 TYR 5 HD2 TYR 5 59.344 -6.781 11.759 37 HE1 TYR 5 HE1 TYR 5 54.911 -4.608 11.281 38 HE2 TYR 5 HE2 TYR 5 58.803 -4.763 13.094 39 HH TYR 5 HH TYR 5 56.282 -3.720 13.902 40 H LYS 6 H LYS 6 58.446 -10.551 10.167 41 HA LYS 6 HA LYS 6 58.729 -11.958 7.803 42 1HB LYS 6 1HB LYS 6 58.779 -12.940 10.673 43 2HB LYS 6 2HB LYS 6 59.438 -13.854 9.316 44 1HG LYS 6 1HG LYS 6 60.305 -11.011 9.642 45 2HG LYS 6 2HG LYS 6 60.976 -12.213 10.744 46 1HD LYS 6 1HD LYS 6 62.457 -12.715 9.118 47 2HD LYS 6 2HD LYS 6 61.111 -13.436 8.237 48 1HE LYS 6 1HE LYS 6 60.733 -11.453 6.972 49 2HE LYS 6 2HE LYS 6 61.727 -10.475 8.067 50 1HZ LYS 6 1HZ LYS 6 63.154 -12.746 7.097 51 2HZ LYS 6 2HZ LYS 6 62.604 -11.780 5.813 52 3HZ LYS 6 3HZ LYS 6 63.578 -11.105 7.029 53 H ALA 7 H ALA 7 56.136 -12.286 10.173 54 HA ALA 7 HA ALA 7 55.016 -14.715 8.995 55 1HB ALA 7 1HB ALA 7 54.792 -13.202 11.352 56 2HB ALA 7 2HB ALA 7 53.210 -13.074 10.584 57 3HB ALA 7 3HB ALA 7 53.884 -14.661 10.957 58 H ALA 8 H ALA 8 54.187 -11.236 8.943 59 HA ALA 8 HA ALA 8 51.852 -11.431 7.316 60 1HB ALA 8 1HB ALA 8 52.853 -9.484 8.683 61 2HB ALA 8 2HB ALA 8 53.871 -9.180 7.276 62 3HB ALA 8 3HB ALA 8 52.117 -9.071 7.135 63 H VAL 9 H VAL 9 55.290 -10.993 6.439 64 HA VAL 9 HA VAL 9 55.087 -10.608 3.671 65 HB VAL 9 HB VAL 9 57.054 -12.417 5.108 66 1HG1 VAL 9 1HG1 VAL 9 57.008 -10.904 2.520 67 2HG1 VAL 9 2HG1 VAL 9 58.547 -11.097 3.361 68 3HG1 VAL 9 3HG1 VAL 9 57.632 -12.519 2.859 69 1HG2 VAL 9 1HG2 VAL 9 56.474 -9.565 5.415 70 2HG2 VAL 9 2HG2 VAL 9 57.490 -10.612 6.403 71 3HG2 VAL 9 3HG2 VAL 9 58.148 -9.863 4.950 72 H GLU 10 H GLU 10 55.230 -13.741 5.404 73 HA GLU 10 HA GLU 10 54.862 -15.375 3.064 74 1HB GLU 10 1HB GLU 10 55.012 -15.603 5.976 75 2HB GLU 10 2HB GLU 10 53.873 -16.757 5.281 76 1HG GLU 10 1HG GLU 10 55.526 -17.984 4.346 77 2HG GLU 10 2HG GLU 10 56.349 -16.549 3.733 78 H GLN 11 H GLN 11 52.716 -13.337 4.764 79 HA GLN 11 HA GLN 11 50.299 -14.879 3.943 80 1HB GLN 11 1HB GLN 11 51.070 -12.902 5.990 81 2HB GLN 11 2HB GLN 11 49.483 -12.609 5.278 82 1HG GLN 11 1HG GLN 11 48.585 -14.524 6.153 83 2HG GLN 11 2HG GLN 11 50.093 -15.425 5.999 84 1HE2 GLN 11 1HE2 GLN 11 49.451 -12.319 7.706 85 2HE2 GLN 11 2HE2 GLN 11 49.968 -12.876 9.224 86 H LEU 12 H LEU 12 52.190 -13.214 2.143 87 HA LEU 12 HA LEU 12 50.461 -10.988 1.266 88 1HB LEU 12 1HB LEU 12 53.136 -12.149 0.463 89 2HB LEU 12 2HB LEU 12 52.383 -10.838 -0.445 90 HG LEU 12 HG LEU 12 52.803 -10.689 2.544 91 1HD1 LEU 12 1HD1 LEU 12 54.666 -9.997 0.272 92 2HD1 LEU 12 2HD1 LEU 12 54.763 -9.160 1.822 93 3HD1 LEU 12 3HD1 LEU 12 55.020 -10.903 1.743 94 1HD2 LEU 12 1HD2 LEU 12 51.777 -8.942 0.394 95 2HD2 LEU 12 2HD2 LEU 12 51.442 -8.910 2.124 96 3HD2 LEU 12 3HD2 LEU 12 52.910 -8.160 1.496 97 H THR 13 H THR 13 50.129 -10.870 -1.228 98 HA THR 13 HA THR 13 49.324 -13.569 -2.267 99 HB THR 13 HB THR 13 47.395 -12.324 -3.289 100 HG1 THR 13 HG1 THR 13 47.183 -10.200 -1.985 101 1HG2 THR 13 1HG2 THR 13 47.197 -13.485 -1.097 102 2HG2 THR 13 2HG2 THR 13 47.645 -11.983 -0.288 103 3HG2 THR 13 3HG2 THR 13 46.143 -12.073 -1.208 104 H GLU 14 H GLU 14 49.566 -13.835 -4.559 105 HA GLU 14 HA GLU 14 51.820 -12.774 -5.819 106 1HB GLU 14 1HB GLU 14 50.257 -14.718 -6.437 107 2HB GLU 14 2HB GLU 14 49.256 -13.510 -7.247 108 1HG GLU 14 1HG GLU 14 51.585 -12.811 -8.325 109 2HG GLU 14 2HG GLU 14 51.994 -14.486 -7.953 110 H GLU 15 H GLU 15 48.532 -11.439 -5.743 111 HA GLU 15 HA GLU 15 49.082 -9.350 -7.703 112 1HB GLU 15 1HB GLU 15 46.877 -10.560 -6.608 113 2HB GLU 15 2HB GLU 15 46.880 -9.013 -5.761 114 1HG GLU 15 1HG GLU 15 46.460 -7.811 -7.668 115 2HG GLU 15 2HG GLU 15 47.380 -8.914 -8.691 116 H GLN 16 H GLN 16 48.411 -9.212 -4.173 117 HA GLN 16 HA GLN 16 49.057 -6.489 -3.785 118 1HB GLN 16 1HB GLN 16 47.964 -7.763 -2.079 119 2HB GLN 16 2HB GLN 16 49.265 -8.954 -2.044 120 1HG GLN 16 1HG GLN 16 50.577 -7.668 -0.702 121 2HG GLN 16 2HG GLN 16 50.130 -6.179 -1.535 122 1HE2 GLN 16 2HE2 GLN 16 48.667 -4.829 -0.461 123 2HE2 GLN 16 1HE2 GLN 16 47.735 -5.292 0.881 124 H LYS 17 H LYS 17 51.196 -9.352 -3.612 125 HA LYS 17 HA LYS 17 53.569 -7.865 -2.907 126 1HB LYS 17 1HB LYS 17 53.672 -10.129 -2.395 127 2HB LYS 17 2HB LYS 17 52.809 -10.602 -3.856 128 1HG LYS 17 1HG LYS 17 55.495 -9.347 -4.201 129 2HG LYS 17 2HG LYS 17 55.443 -11.002 -3.588 130 1HD LYS 17 1HD LYS 17 54.645 -11.850 -5.555 131 2HD LYS 17 2HD LYS 17 53.661 -10.423 -5.885 132 1HE LYS 17 1HE LYS 17 55.374 -9.330 -6.988 133 2HE LYS 17 2HE LYS 17 56.633 -10.086 -5.990 134 1HZ LYS 17 1HZ LYS 17 55.684 -12.247 -7.092 135 2HZ LYS 17 2HZ LYS 17 55.206 -11.172 -8.314 136 3HZ LYS 17 3HZ LYS 17 56.848 -11.307 -7.896 137 H ASN 18 H ASN 18 51.934 -8.574 -5.921 138 HA ASN 18 HA ASN 18 54.191 -7.987 -7.667 139 1HB ASN 18 1HB ASN 18 51.258 -8.514 -7.845 140 2HB ASN 18 2HB ASN 18 52.005 -7.693 -9.215 141 1HD2 ASN 18 2HD2 ASN 18 51.276 -9.975 -10.158 142 2HD2 ASN 18 1HD2 ASN 18 52.462 -11.188 -10.114 143 H GLU 19 H GLU 19 51.745 -6.119 -6.015 144 HA GLU 19 HA GLU 19 51.940 -3.746 -7.693 145 1HB GLU 19 1HB GLU 19 49.931 -4.092 -6.480 146 2HB GLU 19 2HB GLU 19 50.799 -4.455 -4.988 147 1HG GLU 19 1HG GLU 19 50.895 -2.277 -4.411 148 2HG GLU 19 2HG GLU 19 51.475 -1.811 -6.011 149 H PHE 20 H PHE 20 53.383 -4.769 -4.585 150 HA PHE 20 HA PHE 20 54.735 -2.247 -4.131 151 1HB PHE 20 1HB PHE 20 54.982 -3.249 -2.117 152 2HB PHE 20 2HB PHE 20 54.168 -4.658 -2.783 153 HD1 PHE 20 HD1 PHE 20 57.565 -3.058 -2.742 154 HD2 PHE 20 HD2 PHE 20 55.286 -6.700 -2.748 155 HE1 PHE 20 HE1 PHE 20 59.658 -4.369 -2.520 156 HE2 PHE 20 HE2 PHE 20 57.378 -8.009 -2.528 157 HZ PHE 20 HZ PHE 20 59.566 -6.844 -2.412 158 H LYS 21 H LYS 21 55.666 -5.324 -5.659 159 HA LYS 21 HA LYS 21 58.398 -5.152 -5.963 160 1HB LYS 21 1HB LYS 21 56.135 -6.283 -7.334 161 2HB LYS 21 2HB LYS 21 57.298 -5.715 -8.532 162 1HG LYS 21 1HG LYS 21 58.850 -6.942 -6.542 163 2HG LYS 21 2HG LYS 21 57.467 -8.012 -6.771 164 1HD LYS 21 1HD LYS 21 57.931 -7.650 -9.321 165 2HD LYS 21 2HD LYS 21 59.532 -7.144 -8.779 166 1HE LYS 21 1HE LYS 21 58.698 -9.600 -7.442 167 2HE LYS 21 2HE LYS 21 58.716 -9.785 -9.207 168 1HZ LYS 21 1HZ LYS 21 60.903 -8.556 -7.613 169 2HZ LYS 21 2HZ LYS 21 60.923 -10.146 -8.208 170 3HZ LYS 21 3HZ LYS 21 60.911 -8.833 -9.286 171 H ALA 22 H ALA 22 56.054 -3.520 -8.142 172 HA ALA 22 HA ALA 22 57.747 -2.138 -9.839 173 1HB ALA 22 1HB ALA 22 55.083 -1.757 -8.639 174 2HB ALA 22 2HB ALA 22 55.823 -0.263 -9.215 175 3HB ALA 22 3HB ALA 22 55.584 -1.614 -10.324 176 H ALA 23 H ALA 23 56.545 -0.734 -6.756 177 HA ALA 23 HA ALA 23 58.139 1.559 -6.657 178 1HB ALA 23 1HB ALA 23 56.460 0.053 -4.968 179 2HB ALA 23 2HB ALA 23 57.964 0.255 -4.070 180 3HB ALA 23 3HB ALA 23 57.089 1.670 -4.656 181 H PHE 24 H PHE 24 58.966 -1.573 -5.111 182 HA PHE 24 HA PHE 24 61.527 -1.074 -4.201 183 1HB PHE 24 1HB PHE 24 60.607 -3.208 -3.830 184 2HB PHE 24 2HB PHE 24 60.196 -3.427 -5.531 185 HD1 PHE 24 HD1 PHE 24 63.414 -2.339 -3.956 186 HD2 PHE 24 HD2 PHE 24 61.358 -5.346 -6.230 187 HE1 PHE 24 HE1 PHE 24 65.561 -3.526 -4.327 188 HE2 PHE 24 HE2 PHE 24 63.502 -6.532 -6.603 189 HZ PHE 24 HZ PHE 24 65.605 -5.623 -5.651 190 H ASP 25 H ASP 25 60.558 -1.689 -7.570 191 HA ASP 25 HA ASP 25 63.231 -1.769 -8.657 192 1HB ASP 25 1HB ASP 25 60.673 -2.293 -9.499 193 2HB ASP 25 2HB ASP 25 61.017 -0.786 -10.350 194 H ILE 26 H ILE 26 60.820 0.845 -8.308 195 HA ILE 26 HA ILE 26 62.360 2.866 -9.666 196 HB ILE 26 HB ILE 26 60.096 2.831 -7.665 197 1HG1 ILE 26 1HG1 ILE 26 59.159 4.001 -9.916 198 2HG1 ILE 26 2HG1 ILE 26 60.429 2.994 -10.615 199 1HG2 ILE 26 1HG2 ILE 26 61.785 5.088 -8.521 200 2HG2 ILE 26 2HG2 ILE 26 60.057 5.352 -8.758 201 3HG2 ILE 26 3HG2 ILE 26 60.678 4.965 -7.152 202 1HD1 ILE 26 1HD1 ILE 26 58.553 1.800 -8.599 203 2HD1 ILE 26 2HD1 ILE 26 58.016 1.997 -10.268 204 3HD1 ILE 26 3HD1 ILE 26 59.434 1.012 -9.909 205 H PHE 27 H PHE 27 62.506 1.520 -6.455 206 HA PHE 27 HA PHE 27 63.896 3.795 -5.251 207 1HB PHE 27 1HB PHE 27 63.156 0.976 -4.498 208 2HB PHE 27 2HB PHE 27 64.235 1.914 -3.464 209 HD1 PHE 27 HD1 PHE 27 61.146 2.682 -5.467 210 HD2 PHE 27 HD2 PHE 27 63.127 2.878 -1.658 211 HE1 PHE 27 HE1 PHE 27 59.196 3.881 -4.514 212 HE2 PHE 27 HE2 PHE 27 61.176 4.077 -0.707 213 HZ PHE 27 HZ PHE 27 59.211 4.578 -2.134 214 H VAL 28 H VAL 28 64.836 0.962 -7.067 215 HA VAL 28 HA VAL 28 67.704 1.543 -6.405 216 HB VAL 28 HB VAL 28 68.069 -0.851 -6.743 217 1HG1 VAL 28 1HG1 VAL 28 67.035 0.173 -4.566 218 2HG1 VAL 28 2HG1 VAL 28 65.585 -0.701 -5.059 219 3HG1 VAL 28 3HG1 VAL 28 67.082 -1.580 -4.750 220 1HG2 VAL 28 1HG2 VAL 28 65.132 -0.836 -7.485 221 2HG2 VAL 28 2HG2 VAL 28 66.490 -1.333 -8.496 222 3HG2 VAL 28 3HG2 VAL 28 66.024 -2.308 -7.103 223 H LEU 29 H LEU 29 65.488 2.047 -8.753 224 HA LEU 29 HA LEU 29 66.428 1.019 -11.178 225 1HB LEU 29 1HB LEU 29 64.715 3.059 -10.233 226 2HB LEU 29 2HB LEU 29 65.795 3.838 -11.391 227 HG LEU 29 HG LEU 29 64.345 1.245 -11.977 228 1HD1 LEU 29 1HD1 LEU 29 63.200 3.805 -11.695 229 2HD1 LEU 29 2HD1 LEU 29 63.373 3.553 -13.432 230 3HD1 LEU 29 3HD1 LEU 29 62.467 2.394 -12.458 231 1HD2 LEU 29 1HD2 LEU 29 66.466 1.979 -13.246 232 2HD2 LEU 29 2HD2 LEU 29 65.044 1.612 -14.223 233 3HD2 LEU 29 3HD2 LEU 29 65.480 3.289 -13.895 234 H GLY 30 H GLY 30 67.632 3.896 -9.428 235 1HA GLY 30 1HA GLY 30 69.852 4.132 -11.384 236 2HA GLY 30 2HA GLY 30 69.438 5.325 -10.153 237 H ALA 31 H ALA 31 69.495 2.045 -9.104 238 HA ALA 31 HA ALA 31 71.835 2.625 -7.394 239 1HB ALA 31 1HB ALA 31 69.836 0.358 -7.637 240 2HB ALA 31 2HB ALA 31 71.141 0.367 -6.450 241 3HB ALA 31 3HB ALA 31 69.889 1.608 -6.393 242 H GLU 32 H GLU 32 73.507 0.805 -7.186 243 HA GLU 32 HA GLU 32 74.322 -0.070 -9.917 244 1HB GLU 32 1HB GLU 32 75.670 0.416 -7.266 245 2HB GLU 32 2HB GLU 32 76.484 -0.527 -8.515 246 1HG GLU 32 1HG GLU 32 76.707 1.280 -9.933 247 2HG GLU 32 2HG GLU 32 75.256 2.074 -9.321 248 H ASP 33 H ASP 33 73.806 -1.341 -6.622 249 HA ASP 33 HA ASP 33 74.129 -4.118 -7.659 250 1HB ASP 33 1HB ASP 33 74.811 -2.709 -5.292 251 2HB ASP 33 2HB ASP 33 73.585 -3.893 -4.834 252 H GLY 34 H GLY 34 71.686 -1.865 -7.155 253 1HA GLY 34 1HA GLY 34 69.361 -2.293 -7.559 254 2HA GLY 34 2HA GLY 34 69.643 -4.004 -7.229 255 H CYS 35 H CYS 35 71.007 -1.747 -5.001 256 HA CYS 35 HA CYS 35 68.980 -2.587 -2.968 257 1HB CYS 35 1HB CYS 35 70.800 -1.985 -1.384 258 2HB CYS 35 2HB CYS 35 71.346 -3.158 -2.582 259 HG CYS 35 HG CYS 35 73.162 -1.380 -2.713 260 H ILE 36 H ILE 36 69.062 -0.674 -1.110 261 HA ILE 36 HA ILE 36 68.589 1.919 -2.543 262 HB ILE 36 HB ILE 36 66.941 0.623 -0.348 263 1HG1 ILE 36 1HG1 ILE 36 66.141 1.193 -3.210 264 2HG1 ILE 36 2HG1 ILE 36 66.822 -0.357 -2.714 265 1HG2 ILE 36 1HG2 ILE 36 67.226 3.319 -0.943 266 2HG2 ILE 36 2HG2 ILE 36 65.789 2.854 -1.853 267 3HG2 ILE 36 3HG2 ILE 36 65.852 2.591 -0.110 268 1HD1 ILE 36 1HD1 ILE 36 64.391 0.902 -1.414 269 2HD1 ILE 36 2HD1 ILE 36 64.300 -0.294 -2.708 270 3HD1 ILE 36 3HD1 ILE 36 65.013 -0.729 -1.155 271 H SER 37 H SER 37 70.522 2.876 -1.782 272 HA SER 37 HA SER 37 71.092 2.872 1.135 273 1HB SER 37 1HB SER 37 72.606 2.761 -1.149 274 2HB SER 37 2HB SER 37 72.706 4.470 -0.742 275 HG SER 37 HG SER 37 74.298 2.994 0.259 276 H THR 38 H THR 38 68.761 4.267 -0.049 277 HA THR 38 HA THR 38 67.583 6.244 0.508 278 HB THR 38 HB THR 38 68.500 7.722 2.051 279 HG1 THR 38 HG1 THR 38 70.374 8.595 1.768 280 1HG2 THR 38 1HG2 THR 38 68.999 5.055 2.474 281 2HG2 THR 38 2HG2 THR 38 70.586 5.774 2.747 282 3HG2 THR 38 3HG2 THR 38 69.196 6.322 3.683 283 H LYS 39 H LYS 39 70.811 6.651 -0.982 284 HA LYS 39 HA LYS 39 70.581 9.078 -2.289 285 1HB LYS 39 1HB LYS 39 72.499 7.564 -2.460 286 2HB LYS 39 2HB LYS 39 71.528 6.399 -3.361 287 1HG LYS 39 1HG LYS 39 72.053 7.450 -5.278 288 2HG LYS 39 2HG LYS 39 71.284 8.919 -4.673 289 1HD LYS 39 1HD LYS 39 73.294 9.778 -3.826 290 2HD LYS 39 2HD LYS 39 74.062 8.192 -3.775 291 1HE LYS 39 1HE LYS 39 74.441 8.161 -6.106 292 2HE LYS 39 2HE LYS 39 73.227 9.421 -6.406 293 1HZ LYS 39 1HZ LYS 39 74.624 10.899 -4.968 294 2HZ LYS 39 2HZ LYS 39 75.843 9.718 -5.040 295 3HZ LYS 39 3HZ LYS 39 75.326 10.488 -6.460 296 H GLU 40 H GLU 40 68.964 6.034 -3.106 297 HA GLU 40 HA GLU 40 67.586 7.280 -5.424 298 1HB GLU 40 1HB GLU 40 67.307 4.492 -4.260 299 2HB GLU 40 2HB GLU 40 66.927 5.011 -5.902 300 1HG GLU 40 1HG GLU 40 69.729 5.316 -4.845 301 2HG GLU 40 2HG GLU 40 69.180 3.757 -5.457 302 H LEU 41 H LEU 41 67.056 6.364 -2.098 303 HA LEU 41 HA LEU 41 64.195 6.192 -2.089 304 1HB LEU 41 1HB LEU 41 65.945 5.484 -0.349 305 2HB LEU 41 2HB LEU 41 65.977 7.177 0.148 306 HG LEU 41 HG LEU 41 63.550 7.107 0.571 307 1HD1 LEU 41 1HD1 LEU 41 63.905 4.360 -0.581 308 2HD1 LEU 41 2HD1 LEU 41 62.646 4.624 0.627 309 3HD1 LEU 41 3HD1 LEU 41 62.628 5.539 -0.881 310 1HD2 LEU 41 1HD2 LEU 41 65.553 5.506 1.964 311 2HD2 LEU 41 2HD2 LEU 41 64.299 6.552 2.631 312 3HD2 LEU 41 3HD2 LEU 41 63.925 4.879 2.217 313 H GLY 42 H GLY 42 66.166 8.863 -0.739 314 1HA GLY 42 1HA GLY 42 64.221 10.762 -0.345 315 2HA GLY 42 2HA GLY 42 65.831 11.199 -0.919 316 H LYS 43 H LYS 43 65.578 9.797 -3.465 317 HA LYS 43 HA LYS 43 64.489 11.860 -5.094 318 1HB LYS 43 1HB LYS 43 65.827 9.366 -5.340 319 2HB LYS 43 2HB LYS 43 64.402 9.279 -6.375 320 1HG LYS 43 1HG LYS 43 65.167 11.701 -7.104 321 2HG LYS 43 2HG LYS 43 66.739 11.148 -6.527 322 1HD LYS 43 1HD LYS 43 65.448 9.112 -8.143 323 2HD LYS 43 2HD LYS 43 65.602 10.627 -9.031 324 1HE LYS 43 1HE LYS 43 67.996 10.707 -8.613 325 2HE LYS 43 2HE LYS 43 67.891 9.291 -7.547 326 1HZ LYS 43 1HZ LYS 43 66.929 9.250 -10.349 327 2HZ LYS 43 2HZ LYS 43 68.520 8.823 -9.933 328 3HZ LYS 43 3HZ LYS 43 67.210 7.929 -9.323 329 H VAL 44 H VAL 44 63.053 8.882 -3.812 330 HA VAL 44 HA VAL 44 60.535 9.266 -5.283 331 HB VAL 44 HB VAL 44 61.600 7.339 -3.207 332 1HG1 VAL 44 1HG1 VAL 44 58.832 7.902 -3.972 333 2HG1 VAL 44 2HG1 VAL 44 59.286 6.223 -4.264 334 3HG1 VAL 44 3HG1 VAL 44 59.451 6.912 -2.650 335 1HG2 VAL 44 1HG2 VAL 44 61.622 7.516 -6.080 336 2HG2 VAL 44 2HG2 VAL 44 62.351 6.285 -5.050 337 3HG2 VAL 44 3HG2 VAL 44 60.684 6.104 -5.596 338 H MET 45 H MET 45 61.891 10.234 -2.236 339 HA MET 45 HA MET 45 59.421 10.499 -0.748 340 1HB MET 45 1HB MET 45 62.085 11.929 -0.478 341 2HB MET 45 2HB MET 45 60.868 11.746 0.786 342 1HG MET 45 1HG MET 45 62.392 9.498 -0.561 343 2HG MET 45 2HG MET 45 62.632 10.074 1.089 344 1HE MET 45 1HE MET 45 61.287 7.794 -1.169 345 2HE MET 45 2HE MET 45 59.881 6.989 -0.480 346 3HE MET 45 3HE MET 45 59.695 8.531 -1.328 347 H ARG 46 H ARG 46 61.321 12.687 -2.812 348 HA ARG 46 HA ARG 46 59.782 15.066 -2.262 349 1HB ARG 46 1HB ARG 46 61.707 14.091 -4.357 350 2HB ARG 46 2HB ARG 46 60.875 15.628 -4.592 351 1HG ARG 46 1HG ARG 46 61.952 15.331 -1.886 352 2HG ARG 46 2HG ARG 46 63.202 15.268 -3.129 353 1HD ARG 46 1HD ARG 46 62.807 17.606 -2.415 354 2HD ARG 46 2HD ARG 46 62.299 17.388 -4.102 355 HE ARG 46 HE ARG 46 60.214 16.897 -2.075 356 1HH1 ARG 46 1HH1 ARG 46 60.788 18.132 -5.083 357 2HH1 ARG 46 2HH1 ARG 46 59.825 19.561 -4.903 358 1HH2 ARG 46 1HH2 ARG 46 59.360 19.141 -1.496 359 2HH2 ARG 46 2HH2 ARG 46 59.019 20.130 -2.875 360 H MET 47 H MET 47 59.341 12.335 -4.422 361 HA MET 47 HA MET 47 57.334 13.658 -6.098 362 1HB MET 47 1HB MET 47 58.549 10.931 -5.770 363 2HB MET 47 2HB MET 47 57.074 11.102 -6.724 364 1HG MET 47 1HG MET 47 58.134 12.223 -8.405 365 2HG MET 47 2HG MET 47 59.188 13.097 -7.294 366 1HE MET 47 1HE MET 47 58.146 9.862 -8.699 367 2HE MET 47 2HE MET 47 59.582 8.864 -8.912 368 3HE MET 47 3HE MET 47 58.851 9.013 -7.316 369 H LEU 48 H LEU 48 57.368 11.723 -3.169 370 HA LEU 48 HA LEU 48 54.457 11.217 -3.274 371 1HB LEU 48 1HB LEU 48 56.697 10.587 -1.331 372 2HB LEU 48 2HB LEU 48 55.022 10.102 -1.063 373 HG LEU 48 HG LEU 48 56.550 9.406 -3.580 374 1HD1 LEU 48 1HD1 LEU 48 56.743 8.286 -0.897 375 2HD1 LEU 48 2HD1 LEU 48 56.187 7.086 -2.064 376 3HD1 LEU 48 3HD1 LEU 48 57.712 7.931 -2.327 377 1HD2 LEU 48 1HD2 LEU 48 53.980 9.417 -3.473 378 2HD2 LEU 48 2HD2 LEU 48 54.739 7.917 -4.007 379 3HD2 LEU 48 3HD2 LEU 48 54.133 8.061 -2.357 380 H GLY 49 H GLY 49 56.117 13.931 -2.688 381 1HA GLY 49 1HA GLY 49 55.396 15.925 -1.641 382 2HA GLY 49 2HA GLY 49 54.040 15.031 -0.953 383 H GLN 50 H GLN 50 57.319 13.875 -0.581 384 HA GLN 50 HA GLN 50 57.370 14.880 2.238 385 1HB GLN 50 1HB GLN 50 57.166 12.124 1.174 386 2HB GLN 50 2HB GLN 50 58.371 12.340 2.445 387 1HG GLN 50 1HG GLN 50 56.329 13.735 3.532 388 2HG GLN 50 2HG GLN 50 55.410 12.564 2.586 389 1HE2 GLN 50 2HE2 GLN 50 54.906 10.758 3.822 390 2HE2 GLN 50 1HE2 GLN 50 55.909 10.072 5.008 391 H ASN 51 H ASN 51 59.704 13.993 3.142 392 HA ASN 51 HA ASN 51 61.878 13.759 1.291 393 1HB ASN 51 1HB ASN 51 61.310 15.944 0.535 394 2HB ASN 51 2HB ASN 51 61.029 16.521 2.178 395 1HD2 ASN 51 2HD2 ASN 51 62.654 18.254 1.756 396 2HD2 ASN 51 1HD2 ASN 51 64.310 17.888 1.812 397 HA PRO 52 HA PRO 52 62.926 13.093 5.708 398 1HB PRO 52 1HB PRO 52 64.315 10.776 5.263 399 2HB PRO 52 2HB PRO 52 62.554 10.819 5.486 400 1HG PRO 52 1HG PRO 52 64.139 10.600 2.979 401 2HG PRO 52 2HG PRO 52 62.616 9.816 3.424 402 1HD PRO 52 1HD PRO 52 62.778 11.986 1.770 403 2HD PRO 52 2HD PRO 52 61.352 11.600 2.758 404 H THR 53 H THR 53 64.764 14.091 6.489 405 HA THR 53 HA THR 53 66.786 15.215 4.897 406 HB THR 53 HB THR 53 67.964 14.699 7.364 407 HG1 THR 53 HG1 THR 53 66.422 14.417 8.793 408 1HG2 THR 53 1HG2 THR 53 66.030 16.859 6.494 409 2HG2 THR 53 2HG2 THR 53 66.997 16.946 7.966 410 3HG2 THR 53 3HG2 THR 53 67.790 16.901 6.392 411 HA PRO 54 HA PRO 54 69.678 12.044 4.000 412 1HB PRO 54 1HB PRO 54 72.096 13.117 4.708 413 2HB PRO 54 2HB PRO 54 71.175 13.663 3.294 414 1HG PRO 54 1HG PRO 54 71.412 14.899 5.990 415 2HG PRO 54 2HG PRO 54 71.340 15.668 4.397 416 1HD PRO 54 1HD PRO 54 69.214 15.526 6.103 417 2HD PRO 54 2HD PRO 54 69.055 15.627 4.335 418 H GLU 55 H GLU 55 70.088 13.455 7.236 419 HA GLU 55 HA GLU 55 71.541 11.189 8.334 420 1HB GLU 55 1HB GLU 55 70.042 13.567 9.461 421 2HB GLU 55 2HB GLU 55 70.886 12.409 10.489 422 1HG GLU 55 1HG GLU 55 72.930 13.219 9.926 423 2HG GLU 55 2HG GLU 55 72.495 13.376 8.224 424 H GLU 56 H GLU 56 68.147 12.075 7.993 425 HA GLU 56 HA GLU 56 67.203 9.976 9.825 426 1HB GLU 56 1HB GLU 56 66.197 12.317 9.194 427 2HB GLU 56 2HB GLU 56 65.544 11.462 7.795 428 1HG GLU 56 1HG GLU 56 64.426 9.853 9.259 429 2HG GLU 56 2HG GLU 56 65.135 10.621 10.680 430 H LEU 57 H LEU 57 67.545 10.472 6.331 431 HA LEU 57 HA LEU 57 66.041 8.436 5.207 432 1HB LEU 57 1HB LEU 57 68.643 9.760 4.682 433 2HB LEU 57 2HB LEU 57 68.381 8.246 3.820 434 HG LEU 57 HG LEU 57 66.544 10.659 3.803 435 1HD1 LEU 57 1HD1 LEU 57 68.695 9.645 2.046 436 2HD1 LEU 57 2HD1 LEU 57 67.208 10.102 1.214 437 3HD1 LEU 57 3HD1 LEU 57 68.057 11.281 2.215 438 1HD2 LEU 57 1HD2 LEU 57 66.275 7.861 2.708 439 2HD2 LEU 57 2HD2 LEU 57 65.096 8.801 3.623 440 3HD2 LEU 57 3HD2 LEU 57 65.440 9.214 1.942 441 H GLN 58 H GLN 58 69.497 7.908 5.985 442 HA GLN 58 HA GLN 58 69.649 5.157 5.805 443 1HB GLN 58 1HB GLN 58 71.156 7.258 6.834 444 2HB GLN 58 2HB GLN 58 70.945 6.189 8.221 445 1HG GLN 58 1HG GLN 58 71.723 5.038 5.555 446 2HG GLN 58 2HG GLN 58 72.952 5.776 6.586 447 1HE2 GLN 58 2HE2 GLN 58 70.862 2.989 6.204 448 2HE2 GLN 58 1HE2 GLN 58 71.412 2.146 7.571 449 H GLU 59 H GLU 59 68.082 7.009 8.373 450 HA GLU 59 HA GLU 59 67.774 4.785 10.212 451 1HB GLU 59 1HB GLU 59 67.245 7.593 10.049 452 2HB GLU 59 2HB GLU 59 65.747 6.787 10.519 453 1HG GLU 59 1HG GLU 59 67.277 7.437 12.445 454 2HG GLU 59 2HG GLU 59 66.796 5.741 12.403 455 H MET 60 H MET 60 65.952 6.000 7.457 456 HA MET 60 HA MET 60 63.477 4.630 8.008 457 1HB MET 60 1HB MET 60 63.221 6.311 6.455 458 2HB MET 60 2HB MET 60 64.849 6.103 5.818 459 1HG MET 60 1HG MET 60 63.331 5.446 4.082 460 2HG MET 60 2HG MET 60 64.035 3.966 4.727 461 1HE MET 60 1HE MET 60 61.410 6.406 4.487 462 2HE MET 60 2HE MET 60 59.868 5.592 4.789 463 3HE MET 60 3HE MET 60 60.794 6.258 6.131 464 H ILE 61 H ILE 61 66.503 3.743 6.423 465 HA ILE 61 HA ILE 61 65.512 1.246 5.293 466 HB ILE 61 HB ILE 61 68.136 2.663 5.688 467 1HG1 ILE 61 1HG1 ILE 61 67.987 1.908 3.089 468 2HG1 ILE 61 2HG1 ILE 61 66.269 1.964 3.488 469 1HG2 ILE 61 1HG2 ILE 61 67.745 -0.249 5.321 470 2HG2 ILE 61 2HG2 ILE 61 68.875 0.507 4.197 471 3HG2 ILE 61 3HG2 ILE 61 69.144 0.632 5.936 472 1HD1 ILE 61 1HD1 ILE 61 68.245 4.210 3.975 473 2HD1 ILE 61 2HD1 ILE 61 67.079 4.150 2.654 474 3HD1 ILE 61 3HD1 ILE 61 66.518 4.260 4.322 475 H ASP 62 H ASP 62 67.602 2.082 8.085 476 HA ASP 62 HA ASP 62 67.998 -0.554 9.070 477 1HB ASP 62 1HB ASP 62 68.312 2.223 9.910 478 2HB ASP 62 2HB ASP 62 67.902 1.174 11.267 479 H GLU 63 H GLU 63 65.273 1.656 9.411 480 HA GLU 63 HA GLU 63 63.942 0.495 11.629 481 1HB GLU 63 1HB GLU 63 63.389 2.253 9.352 482 2HB GLU 63 2HB GLU 63 61.970 1.337 9.861 483 1HG GLU 63 1HG GLU 63 62.801 2.061 12.282 484 2HG GLU 63 2HG GLU 63 63.555 3.373 11.375 485 H VAL 64 H VAL 64 63.885 -0.421 8.182 486 HA VAL 64 HA VAL 64 62.295 -2.849 8.950 487 HB VAL 64 HB VAL 64 61.460 -2.749 6.631 488 1HG1 VAL 64 1HG1 VAL 64 61.127 -0.639 8.621 489 2HG1 VAL 64 2HG1 VAL 64 60.788 -0.066 6.987 490 3HG1 VAL 64 3HG1 VAL 64 59.908 -1.449 7.637 491 1HG2 VAL 64 1HG2 VAL 64 63.800 -1.256 6.210 492 2HG2 VAL 64 2HG2 VAL 64 62.532 -1.577 5.027 493 3HG2 VAL 64 3HG2 VAL 64 62.483 -0.103 5.994 494 H ASP 65 H ASP 65 65.362 -2.215 8.706 495 HA ASP 65 HA ASP 65 66.075 -4.279 6.669 496 1HB ASP 65 1HB ASP 65 67.242 -2.187 6.458 497 2HB ASP 65 2HB ASP 65 67.595 -2.142 8.186 498 H GLU 66 H GLU 66 67.044 -6.215 7.306 499 HA GLU 66 HA GLU 66 67.434 -6.614 10.255 500 1HB GLU 66 1HB GLU 66 66.764 -9.001 9.678 501 2HB GLU 66 2HB GLU 66 65.487 -7.801 9.474 502 1HG GLU 66 1HG GLU 66 65.516 -7.955 7.180 503 2HG GLU 66 2HG GLU 66 67.243 -8.311 7.122 504 H ASP 67 H ASP 67 69.396 -5.831 8.064 505 HA ASP 67 HA ASP 67 71.269 -8.152 8.403 506 1HB ASP 67 1HB ASP 67 71.008 -6.253 6.049 507 2HB ASP 67 2HB ASP 67 72.058 -7.668 6.141 508 H GLY 68 H GLY 68 70.712 -4.800 8.859 509 1HA GLY 68 1HA GLY 68 72.080 -3.134 9.788 510 2HA GLY 68 2HA GLY 68 73.239 -4.407 10.173 511 H SER 69 H SER 69 72.428 -4.477 6.897 512 HA SER 69 HA SER 69 75.091 -3.682 6.072 513 1HB SER 69 1HB SER 69 73.835 -3.884 3.779 514 2HB SER 69 2HB SER 69 74.033 -5.327 4.769 515 HG SER 69 HG SER 69 71.794 -3.656 5.108 516 H GLY 70 H GLY 70 72.103 -1.981 6.554 517 1HA GLY 70 1HA GLY 70 71.865 0.397 6.564 518 2HA GLY 70 2HA GLY 70 73.403 0.529 5.711 519 H THR 71 H THR 71 71.705 -1.830 4.142 520 HA THR 71 HA THR 71 70.434 0.135 2.264 521 HB THR 71 HB THR 71 71.234 -1.480 0.482 522 HG1 THR 71 HG1 THR 71 73.082 -2.471 2.296 523 1HG2 THR 71 1HG2 THR 71 73.322 -0.207 2.274 524 2HG2 THR 71 2HG2 THR 71 73.605 -0.737 0.616 525 3HG2 THR 71 3HG2 THR 71 72.474 0.577 0.940 526 H VAL 72 H VAL 72 68.615 -0.792 1.030 527 HA VAL 72 HA VAL 72 67.255 -2.999 2.529 528 HB VAL 72 HB VAL 72 66.352 -0.609 0.916 529 1HG1 VAL 72 1HG1 VAL 72 65.030 -2.643 0.263 530 2HG1 VAL 72 2HG1 VAL 72 64.576 -2.836 1.956 531 3HG1 VAL 72 3HG1 VAL 72 64.065 -1.404 1.064 532 1HG2 VAL 72 1HG2 VAL 72 66.343 -1.494 3.754 533 2HG2 VAL 72 2HG2 VAL 72 66.470 0.132 3.082 534 3HG2 VAL 72 3HG2 VAL 72 64.895 -0.651 3.201 535 H ASP 73 H ASP 73 66.090 -4.598 1.253 536 HA ASP 73 HA ASP 73 66.963 -4.794 -1.607 537 1HB ASP 73 1HB ASP 73 67.538 -6.469 0.707 538 2HB ASP 73 2HB ASP 73 66.757 -7.393 -0.577 539 H PHE 74 H PHE 74 65.589 -6.835 -2.544 540 HA PHE 74 HA PHE 74 62.843 -6.018 -2.591 541 1HB PHE 74 1HB PHE 74 64.022 -7.226 -4.391 542 2HB PHE 74 2HB PHE 74 64.191 -8.634 -3.344 543 HD1 PHE 74 HD1 PHE 74 61.311 -6.306 -3.936 544 HD2 PHE 74 HD2 PHE 74 62.803 -10.327 -4.170 545 HE1 PHE 74 HE1 PHE 74 59.066 -7.098 -4.642 546 HE2 PHE 74 HE2 PHE 74 60.559 -11.119 -4.868 547 HZ PHE 74 HZ PHE 74 58.691 -9.505 -5.103 548 H ASP 75 H ASP 75 64.583 -7.797 -0.261 549 HA ASP 75 HA ASP 75 62.248 -9.377 0.655 550 1HB ASP 75 1HB ASP 75 65.109 -9.494 0.782 551 2HB ASP 75 2HB ASP 75 64.483 -9.467 2.431 552 H GLU 76 H GLU 76 64.388 -6.790 1.897 553 HA GLU 76 HA GLU 76 62.879 -6.424 4.350 554 1HB GLU 76 1HB GLU 76 64.950 -4.799 2.845 555 2HB GLU 76 2HB GLU 76 64.350 -4.360 4.445 556 1HG GLU 76 1HG GLU 76 65.261 -6.292 5.450 557 2HG GLU 76 2HG GLU 76 65.460 -7.110 3.899 558 H PHE 77 H PHE 77 62.947 -4.756 1.192 559 HA PHE 77 HA PHE 77 61.451 -2.479 1.642 560 1HB PHE 77 1HB PHE 77 62.351 -3.689 -0.522 561 2HB PHE 77 2HB PHE 77 60.706 -4.318 -0.617 562 HD1 PHE 77 HD1 PHE 77 58.778 -2.567 -0.356 563 HD2 PHE 77 HD2 PHE 77 62.824 -1.561 -1.387 564 HE1 PHE 77 HE1 PHE 77 58.001 -0.407 -1.296 565 HE2 PHE 77 HE2 PHE 77 62.048 0.599 -2.327 566 HZ PHE 77 HZ PHE 77 59.637 1.176 -2.282 567 H LEU 78 H LEU 78 60.208 -5.811 1.481 568 HA LEU 78 HA LEU 78 57.418 -5.200 1.559 569 1HB LEU 78 1HB LEU 78 59.223 -7.492 2.226 570 2HB LEU 78 2HB LEU 78 57.553 -7.576 2.791 571 HG LEU 78 HG LEU 78 58.381 -7.043 -0.077 572 1HD1 LEU 78 1HD1 LEU 78 57.875 -9.518 1.463 573 2HD1 LEU 78 2HD1 LEU 78 57.027 -9.412 -0.079 574 3HD1 LEU 78 3HD1 LEU 78 58.786 -9.288 -0.029 575 1HD2 LEU 78 1HD2 LEU 78 55.784 -7.137 1.406 576 2HD2 LEU 78 2HD2 LEU 78 56.271 -6.100 0.065 577 3HD2 LEU 78 3HD2 LEU 78 55.821 -7.779 -0.237 578 H VAL 79 H VAL 79 59.817 -5.652 4.150 579 HA VAL 79 HA VAL 79 58.102 -5.600 6.400 580 HB VAL 79 HB VAL 79 60.878 -4.431 6.014 581 1HG1 VAL 79 1HG1 VAL 79 59.263 -5.202 8.444 582 2HG1 VAL 79 2HG1 VAL 79 61.024 -5.159 8.489 583 3HG1 VAL 79 3HG1 VAL 79 60.116 -3.691 8.129 584 1HG2 VAL 79 1HG2 VAL 79 60.113 -7.002 5.519 585 2HG2 VAL 79 2HG2 VAL 79 61.716 -6.556 6.103 586 3HG2 VAL 79 3HG2 VAL 79 60.483 -7.098 7.241 587 H MET 80 H MET 80 59.258 -2.980 4.342 588 HA MET 80 HA MET 80 58.487 -0.806 6.097 589 1HB MET 80 1HB MET 80 59.958 -1.160 3.802 590 2HB MET 80 2HB MET 80 58.507 -0.381 3.173 591 1HG MET 80 1HG MET 80 58.951 1.594 4.226 592 2HG MET 80 2HG MET 80 59.605 0.799 5.658 593 1HE MET 80 1HE MET 80 59.872 1.312 2.053 594 2HE MET 80 2HE MET 80 60.792 2.788 2.336 595 3HE MET 80 3HE MET 80 61.577 1.376 1.614 596 H MET 81 H MET 81 56.896 -2.538 3.425 597 HA MET 81 HA MET 81 54.531 -0.824 3.445 598 1HB MET 81 1HB MET 81 55.729 -2.951 1.900 599 2HB MET 81 2HB MET 81 54.031 -3.322 2.202 600 1HG MET 81 1HG MET 81 53.609 -1.946 0.452 601 2HG MET 81 2HG MET 81 53.941 -0.639 1.588 602 1HE MET 81 1HE MET 81 54.844 1.011 0.944 603 2HE MET 81 2HE MET 81 56.424 1.283 0.214 604 3HE MET 81 3HE MET 81 55.005 1.029 -0.810 605 H VAL 82 H VAL 82 55.516 -3.839 4.987 606 HA VAL 82 HA VAL 82 52.902 -4.737 5.795 607 HB VAL 82 HB VAL 82 55.613 -5.151 7.098 608 1HG1 VAL 82 1HG1 VAL 82 53.233 -5.908 8.090 609 2HG1 VAL 82 2HG1 VAL 82 53.499 -7.248 6.974 610 3HG1 VAL 82 3HG1 VAL 82 54.675 -6.911 8.243 611 1HG2 VAL 82 1HG2 VAL 82 54.779 -5.784 4.469 612 2HG2 VAL 82 2HG2 VAL 82 56.220 -6.369 5.300 613 3HG2 VAL 82 3HG2 VAL 82 54.721 -7.295 5.378 614 H ARG 83 H ARG 83 55.466 -3.051 7.654 615 HA ARG 83 HA ARG 83 54.162 -2.641 10.075 616 1HB ARG 83 1HB ARG 83 56.119 -1.112 8.401 617 2HB ARG 83 2HB ARG 83 55.490 -0.340 9.858 618 1HG ARG 83 1HG ARG 83 56.205 -2.267 11.206 619 2HG ARG 83 2HG ARG 83 56.808 -3.069 9.755 620 1HD ARG 83 1HD ARG 83 58.794 -2.034 10.142 621 2HD ARG 83 2HD ARG 83 57.988 -0.510 9.716 622 HE ARG 83 HE ARG 83 57.190 -0.839 12.303 623 1HH1 ARG 83 1HH1 ARG 83 60.088 -2.271 11.548 624 2HH1 ARG 83 2HH1 ARG 83 61.068 -1.279 12.576 625 1HH2 ARG 83 1HH2 ARG 83 58.519 0.958 13.298 626 2HH2 ARG 83 2HH2 ARG 83 60.179 0.545 13.569 627 H CYS 84 H CYS 84 53.447 -1.148 6.985 628 HA CYS 84 HA CYS 84 51.627 0.831 8.270 629 1HB CYS 84 1HB CYS 84 53.221 0.594 5.841 630 2HB CYS 84 2HB CYS 84 51.566 1.089 5.482 631 HG CYS 84 HG CYS 84 52.610 2.725 7.784 632 H MET 85 H MET 85 51.136 -2.206 7.966 633 HA MET 85 HA MET 85 48.881 -2.333 6.073 634 1HB MET 85 1HB MET 85 50.427 -4.159 7.868 635 2HB MET 85 2HB MET 85 48.810 -4.666 7.381 636 1HG MET 85 1HG MET 85 50.691 -3.626 5.291 637 2HG MET 85 2HG MET 85 50.897 -5.276 5.880 638 1HE MET 85 1HE MET 85 49.899 -3.212 3.542 639 2HE MET 85 2HE MET 85 48.759 -4.066 2.503 640 3HE MET 85 3HE MET 85 48.161 -2.933 3.712 641 H LYS 86 H LYS 86 48.489 -0.376 8.136 642 HA LYS 86 HA LYS 86 46.756 0.290 9.603 643 1HB LYS 86 1HB LYS 86 45.693 -1.461 7.807 644 2HB LYS 86 2HB LYS 86 45.358 -2.308 9.318 645 1HG LYS 86 1HG LYS 86 43.509 -0.966 9.349 646 2HG LYS 86 2HG LYS 86 44.637 0.217 10.013 647 1HD LYS 86 1HD LYS 86 44.589 1.487 8.135 648 2HD LYS 86 2HD LYS 86 44.669 0.079 7.076 649 1HE LYS 86 1HE LYS 86 42.501 0.708 6.596 650 2HE LYS 86 2HE LYS 86 42.152 -0.221 8.069 651 1HZ LYS 86 1HZ LYS 86 42.849 2.667 8.035 652 2HZ LYS 86 2HZ LYS 86 41.261 2.072 8.142 653 3HZ LYS 86 3HZ LYS 86 42.377 1.754 9.383 654 H ASP 87 H ASP 87 47.066 0.281 11.793 655 HA ASP 87 HA ASP 87 47.600 -2.349 13.138 656 1HB ASP 87 1HB ASP 87 48.971 0.298 13.166 657 2HB ASP 87 2HB ASP 87 48.891 -0.570 14.699 658 H ASP 88 H ASP 88 46.840 1.040 14.046 659 HA ASP 88 HA ASP 88 44.462 0.053 15.552 660 1HB ASP 88 1HB ASP 88 45.274 1.358 17.526 661 2HB ASP 88 2HB ASP 88 46.361 0.039 17.097 662 H SER 89 H SER 89 42.831 1.658 15.757 663 HA SER 89 HA SER 89 43.346 4.450 15.021 664 1HB SER 89 1HB SER 89 43.301 3.136 12.863 665 2HB SER 89 2HB SER 89 41.637 2.694 13.230 666 HG SER 89 HG SER 89 42.010 4.630 11.875 667 1H ARG 1 1H ARG 1 58.233 6.705 7.226 668 2H ARG 1 2H ARG 1 58.022 5.449 8.350 669 3H ARG 1 3H ARG 1 58.318 5.090 6.716 670 HA ARG 1 HA ARG 1 56.006 4.747 7.043 671 1HB ARG 1 1HB ARG 1 55.766 5.816 9.157 672 2HB ARG 1 2HB ARG 1 56.336 7.361 8.525 673 1HG ARG 1 1HG ARG 1 54.332 7.683 7.251 674 2HG ARG 1 2HG ARG 1 53.804 6.026 7.545 675 1HD ARG 1 1HD ARG 1 52.583 6.980 9.238 676 2HD ARG 1 2HD ARG 1 54.127 6.963 10.114 677 HE ARG 1 HE ARG 1 54.353 9.265 8.679 678 1HH1 ARG 1 1HH1 ARG 1 53.002 8.498 11.561 679 2HH1 ARG 1 2HH1 ARG 1 51.841 9.782 11.604 680 1HH2 ARG 1 1HH2 ARG 1 52.332 10.691 8.294 681 2HH2 ARG 1 2HH2 ARG 1 51.459 11.022 9.752 682 H ILE 2 H ILE 2 55.036 4.999 5.072 683 HA ILE 2 HA ILE 2 55.294 7.641 3.677 684 HB ILE 2 HB ILE 2 55.635 6.279 1.591 685 1HG1 ILE 2 1HG1 ILE 2 55.767 4.020 3.613 686 2HG1 ILE 2 2HG1 ILE 2 54.572 4.209 2.329 687 1HG2 ILE 2 1HG2 ILE 2 57.472 6.618 3.816 688 2HG2 ILE 2 2HG2 ILE 2 57.890 5.193 2.866 689 3HG2 ILE 2 3HG2 ILE 2 57.780 6.770 2.086 690 1HD1 ILE 2 1HD1 ILE 2 57.070 4.391 1.050 691 2HD1 ILE 2 2HD1 ILE 2 57.224 3.055 2.191 692 3HD1 ILE 2 3HD1 ILE 2 55.942 3.039 0.981 693 H SER 3 H SER 3 53.385 8.304 2.667 694 HA SER 3 HA SER 3 50.892 7.071 3.359 695 1HB SER 3 1HB SER 3 51.912 9.275 1.650 696 2HB SER 3 2HB SER 3 50.318 8.659 1.223 697 HG SER 3 HG SER 3 51.183 9.587 3.767 698 H ALA 4 H ALA 4 50.066 5.212 2.495 699 HA ALA 4 HA ALA 4 51.211 3.842 0.251 700 1HB ALA 4 1HB ALA 4 49.586 3.234 2.328 701 2HB ALA 4 2HB ALA 4 48.384 3.350 1.042 702 3HB ALA 4 3HB ALA 4 49.723 2.212 0.898 703 H ASP 5 H ASP 5 48.525 6.127 0.532 704 HA ASP 5 HA ASP 5 47.397 5.646 -2.080 705 1HB ASP 5 1HB ASP 5 46.819 7.098 0.217 706 2HB ASP 5 2HB ASP 5 47.133 8.351 -0.985 707 H ALA 6 H ALA 6 49.468 8.332 -0.890 708 HA ALA 6 HA ALA 6 49.893 9.545 -3.436 709 1HB ALA 6 1HB ALA 6 50.379 10.238 -0.930 710 2HB ALA 6 2HB ALA 6 51.967 9.546 -1.264 711 3HB ALA 6 3HB ALA 6 51.370 10.893 -2.233 712 H MET 7 H MET 7 51.117 6.593 -2.161 713 HA MET 7 HA MET 7 53.692 6.465 -3.385 714 1HB MET 7 1HB MET 7 51.922 4.843 -1.898 715 2HB MET 7 2HB MET 7 52.304 3.931 -3.358 716 1HG MET 7 1HG MET 7 54.631 5.272 -2.164 717 2HG MET 7 2HG MET 7 53.904 4.050 -1.119 718 1HE MET 7 1HE MET 7 56.574 4.646 -3.363 719 2HE MET 7 2HE MET 7 56.513 3.526 -4.721 720 3HE MET 7 3HE MET 7 55.364 4.868 -4.624 721 H MET 8 H MET 8 50.551 5.204 -4.584 722 HA MET 8 HA MET 8 51.679 4.586 -7.211 723 1HB MET 8 1HB MET 8 49.009 4.479 -5.837 724 2HB MET 8 2HB MET 8 49.093 4.259 -7.586 725 1HG MET 8 1HG MET 8 49.254 2.072 -6.580 726 2HG MET 8 2HG MET 8 50.854 2.492 -7.190 727 1HE MET 8 1HE MET 8 52.619 2.334 -6.323 728 2HE MET 8 2HE MET 8 52.961 3.513 -5.058 729 3HE MET 8 3HE MET 8 53.058 1.791 -4.696 730 H GLN 9 H GLN 9 50.254 7.373 -5.731 731 HA GLN 9 HA GLN 9 49.311 8.578 -8.238 732 1HB GLN 9 1HB GLN 9 49.560 9.351 -5.338 733 2HB GLN 9 2HB GLN 9 49.187 10.583 -6.544 734 1HG GLN 9 1HG GLN 9 47.221 9.351 -7.272 735 2HG GLN 9 2HG GLN 9 47.625 8.008 -6.203 736 1HE2 GLN 9 2HE2 GLN 9 45.812 10.878 -6.397 737 2HE2 GLN 9 1HE2 GLN 9 45.520 11.095 -4.738 738 H ALA 10 H ALA 10 51.946 9.286 -5.907 739 HA ALA 10 HA ALA 10 53.191 11.362 -7.413 740 1HB ALA 10 1HB ALA 10 54.084 9.351 -5.344 741 2HB ALA 10 2HB ALA 10 55.209 10.540 -6.001 742 3HB ALA 10 3HB ALA 10 53.770 11.074 -5.132 743 H LEU 11 H LEU 11 54.123 7.905 -7.174 744 HA LEU 11 HA LEU 11 55.198 8.096 -9.960 745 1HB LEU 11 1HB LEU 11 57.058 6.537 -8.916 746 2HB LEU 11 2HB LEU 11 57.162 8.281 -8.707 747 HG LEU 11 HG LEU 11 55.656 6.670 -6.674 748 1HD1 LEU 11 1HD1 LEU 11 58.318 6.078 -7.349 749 2HD1 LEU 11 2HD1 LEU 11 58.429 7.109 -5.924 750 3HD1 LEU 11 3HD1 LEU 11 57.484 5.621 -5.863 751 1HD2 LEU 11 1HD2 LEU 11 56.260 9.349 -7.006 752 2HD2 LEU 11 2HD2 LEU 11 55.797 8.600 -5.479 753 3HD2 LEU 11 3HD2 LEU 11 57.502 8.815 -5.873 754 H LEU 12 H LEU 12 56.148 5.419 -10.047 755 HA LEU 12 HA LEU 12 55.344 3.242 -10.482 756 1HB LEU 12 1HB LEU 12 53.768 4.128 -8.050 757 2HB LEU 12 2HB LEU 12 53.666 2.490 -8.698 758 HG LEU 12 HG LEU 12 56.266 2.526 -8.574 759 1HD1 LEU 12 1HD1 LEU 12 55.496 4.806 -6.729 760 2HD1 LEU 12 2HD1 LEU 12 57.051 3.977 -6.659 761 3HD1 LEU 12 3HD1 LEU 12 56.595 4.875 -8.106 762 1HD2 LEU 12 1HD2 LEU 12 54.257 1.638 -6.875 763 2HD2 LEU 12 2HD2 LEU 12 55.960 1.197 -6.768 764 3HD2 LEU 12 3HD2 LEU 12 55.334 2.528 -5.798 765 H GLY 13 H GLY 13 54.271 5.230 -12.136 766 1HA GLY 13 1HA GLY 13 52.164 4.101 -13.467 767 2HA GLY 13 2HA GLY 13 51.351 5.006 -12.188 768 H ALA 14 H ALA 14 50.897 7.111 -12.635 769 HA ALA 14 HA ALA 14 50.792 9.090 -13.948 770 1HB ALA 14 1HB ALA 14 52.874 9.097 -12.404 771 2HB ALA 14 2HB ALA 14 53.798 8.795 -13.876 772 3HB ALA 14 3HB ALA 14 52.841 10.269 -13.721 773 H ARG 15 H ARG 15 50.018 7.713 -15.855 774 HA ARG 15 HA ARG 15 52.001 7.926 -18.091 775 1HB ARG 15 1HB ARG 15 50.915 5.727 -18.876 776 2HB ARG 15 2HB ARG 15 51.984 5.618 -17.477 777 1HG ARG 15 1HG ARG 15 50.117 5.591 -15.955 778 2HG ARG 15 2HG ARG 15 48.984 5.969 -17.254 779 1HD ARG 15 1HD ARG 15 50.421 3.651 -18.073 780 2HD ARG 15 2HD ARG 15 49.888 3.379 -16.402 781 HE ARG 15 HE ARG 15 47.588 3.878 -17.119 782 1HH1 ARG 15 1HH2 ARG 15 48.428 1.627 -18.913 783 2HH1 ARG 15 2HH2 ARG 15 47.971 2.219 -20.476 784 1HH2 ARG 15 1HH1 ARG 15 47.652 5.508 -19.428 785 2HH2 ARG 15 2HH1 ARG 15 47.529 4.415 -20.766 786 H ALA 16 H ALA 16 50.905 9.807 -18.890 787 HA ALA 16 HA ALA 16 48.033 9.916 -19.254 788 1HB ALA 16 1HB ALA 16 50.435 11.520 -19.728 789 2HB ALA 16 2HB ALA 16 49.233 11.722 -21.003 790 3HB ALA 16 3HB ALA 16 48.802 12.050 -19.324 791 H LYS 17 H LYS 17 48.396 7.529 -20.321 792 HA LYS 17 HA LYS 17 48.257 6.221 -22.289 793 1HB LYS 17 1HB LYS 17 46.364 8.049 -22.300 794 2HB LYS 17 2HB LYS 17 47.304 8.747 -23.620 795 1HG LYS 17 1HG LYS 17 46.494 7.214 -25.051 796 2HG LYS 17 2HG LYS 17 47.084 5.909 -24.021 797 1HD LYS 17 1HD LYS 17 44.797 5.491 -23.983 798 2HD LYS 17 2HD LYS 17 44.972 6.519 -22.559 799 1HE LYS 17 1HE LYS 17 44.649 8.364 -24.612 800 2HE LYS 17 2HE LYS 17 43.533 7.057 -25.055 801 1HZ LYS 17 1HZ LYS 17 43.144 7.132 -22.441 802 2HZ LYS 17 2HZ LYS 17 43.540 8.766 -22.692 803 3HZ LYS 17 3HZ LYS 17 42.233 8.074 -23.523 Start of MODEL 32 1 1H MET 1 1H MET 1 66.499 -10.129 14.465 2 2H MET 1 2H MET 1 66.767 -11.520 15.403 3 3H MET 1 3H MET 1 67.406 -11.419 13.835 4 HA MET 1 HA MET 1 65.324 -11.672 12.821 5 1HB MET 1 1HB MET 1 66.470 -13.557 14.315 6 2HB MET 1 2HB MET 1 64.981 -13.396 15.247 7 1HG MET 1 1HG MET 1 63.865 -14.598 13.711 8 2HG MET 1 2HG MET 1 64.313 -13.443 12.458 9 1HE MET 1 1HE MET 1 63.894 -16.593 13.139 10 2HE MET 1 2HE MET 1 64.120 -16.568 11.393 11 3HE MET 1 3HE MET 1 65.138 -17.601 12.405 12 H ASP 2 H ASP 2 62.884 -12.145 13.368 13 HA ASP 2 HA ASP 2 61.790 -10.822 15.736 14 1HB ASP 2 1HB ASP 2 62.626 -9.195 13.680 15 2HB ASP 2 2HB ASP 2 60.927 -9.438 13.276 16 H ASP 3 H ASP 3 59.458 -11.078 15.831 17 HA ASP 3 HA ASP 3 58.381 -13.015 13.806 18 1HB ASP 3 1HB ASP 3 58.515 -12.917 16.725 19 2HB ASP 3 2HB ASP 3 56.869 -13.180 16.149 20 H ILE 4 H ILE 4 55.709 -12.880 14.580 21 HA ILE 4 HA ILE 4 53.736 -11.612 14.335 22 HB ILE 4 HB ILE 4 55.573 -9.267 14.898 23 1HG1 ILE 4 1HG1 ILE 4 54.172 -11.143 16.831 24 2HG1 ILE 4 2HG1 ILE 4 55.915 -11.040 16.578 25 1HG2 ILE 4 1HG2 ILE 4 52.611 -9.781 15.127 26 2HG2 ILE 4 2HG2 ILE 4 53.397 -8.510 16.063 27 3HG2 ILE 4 3HG2 ILE 4 53.436 -8.459 14.302 28 1HD1 ILE 4 1HD1 ILE 4 55.277 -8.417 17.063 29 2HD1 ILE 4 2HD1 ILE 4 54.131 -9.259 18.107 30 3HD1 ILE 4 3HD1 ILE 4 55.863 -9.544 18.288 31 H TYR 5 H TYR 5 56.456 -9.703 12.979 32 HA TYR 5 HA TYR 5 54.872 -8.794 10.712 33 1HB TYR 5 1HB TYR 5 57.858 -8.786 11.270 34 2HB TYR 5 2HB TYR 5 57.045 -7.815 10.043 35 HD1 TYR 5 HD1 TYR 5 55.466 -6.013 10.702 36 HD2 TYR 5 HD2 TYR 5 57.744 -8.207 13.609 37 HE1 TYR 5 HE1 TYR 5 54.966 -4.279 12.403 38 HE2 TYR 5 HE2 TYR 5 57.243 -6.473 15.311 39 HH TYR 5 HH TYR 5 55.372 -3.560 14.469 40 H LYS 6 H LYS 6 57.558 -11.135 11.105 41 HA LYS 6 HA LYS 6 57.955 -11.968 8.485 42 1HB LYS 6 1HB LYS 6 58.351 -12.944 11.157 43 2HB LYS 6 2HB LYS 6 57.833 -14.287 10.137 44 1HG LYS 6 1HG LYS 6 59.596 -13.783 8.519 45 2HG LYS 6 2HG LYS 6 60.090 -12.377 9.464 46 1HD LYS 6 1HD LYS 6 61.488 -13.731 10.595 47 2HD LYS 6 2HD LYS 6 60.065 -14.507 11.293 48 1HE LYS 6 1HE LYS 6 60.274 -15.622 8.727 49 2HE LYS 6 2HE LYS 6 61.939 -15.571 9.340 50 1HZ LYS 6 1HZ LYS 6 60.667 -16.291 11.538 51 2HZ LYS 6 2HZ LYS 6 59.618 -16.985 10.400 52 3HZ LYS 6 3HZ LYS 6 61.258 -17.426 10.421 53 H ALA 7 H ALA 7 55.124 -12.486 10.476 54 HA ALA 7 HA ALA 7 53.982 -14.684 8.992 55 1HB ALA 7 1HB ALA 7 52.885 -12.507 10.790 56 2HB ALA 7 2HB ALA 7 51.888 -13.822 10.166 57 3HB ALA 7 3HB ALA 7 53.252 -14.175 11.227 58 H ALA 8 H ALA 8 53.537 -11.139 8.827 59 HA ALA 8 HA ALA 8 51.579 -11.162 6.724 60 1HB ALA 8 1HB ALA 8 53.557 -9.193 7.866 61 2HB ALA 8 2HB ALA 8 52.555 -8.753 6.483 62 3HB ALA 8 3HB ALA 8 51.800 -9.196 8.014 63 H VAL 9 H VAL 9 55.138 -10.884 6.700 64 HA VAL 9 HA VAL 9 55.560 -10.393 3.953 65 HB VAL 9 HB VAL 9 57.161 -12.193 5.798 66 1HG1 VAL 9 1HG1 VAL 9 57.606 -10.960 3.163 67 2HG1 VAL 9 2HG1 VAL 9 58.903 -10.659 4.321 68 3HG1 VAL 9 3HG1 VAL 9 58.439 -12.314 3.928 69 1HG2 VAL 9 1HG2 VAL 9 56.844 -9.203 5.652 70 2HG2 VAL 9 2HG2 VAL 9 56.867 -10.245 7.074 71 3HG2 VAL 9 3HG2 VAL 9 58.363 -9.909 6.203 72 H GLU 10 H GLU 10 55.337 -13.544 5.635 73 HA GLU 10 HA GLU 10 55.518 -15.132 3.230 74 1HB GLU 10 1HB GLU 10 55.682 -15.537 5.923 75 2HB GLU 10 2HB GLU 10 54.070 -16.176 5.598 76 1HG GLU 10 1HG GLU 10 54.955 -17.672 3.892 77 2HG GLU 10 2HG GLU 10 56.564 -16.970 4.067 78 H GLN 11 H GLN 11 52.982 -13.264 4.604 79 HA GLN 11 HA GLN 11 50.879 -14.833 3.177 80 1HB GLN 11 1HB GLN 11 51.106 -13.428 5.653 81 2HB GLN 11 2HB GLN 11 49.887 -12.605 4.679 82 1HG GLN 11 1HG GLN 11 48.430 -14.230 5.218 83 2HG GLN 11 2HG GLN 11 49.435 -15.370 4.323 84 1HE2 GLN 11 2HE2 GLN 11 51.215 -16.461 5.596 85 2HE2 GLN 11 1HE2 GLN 11 51.008 -16.688 7.266 86 H LEU 12 H LEU 12 52.612 -13.385 1.485 87 HA LEU 12 HA LEU 12 51.067 -10.919 0.784 88 1HB LEU 12 1HB LEU 12 53.843 -11.935 0.101 89 2HB LEU 12 2HB LEU 12 53.155 -10.453 -0.565 90 HG LEU 12 HG LEU 12 53.434 -11.000 2.402 91 1HD1 LEU 12 1HD1 LEU 12 55.183 -9.420 0.495 92 2HD1 LEU 12 2HD1 LEU 12 55.291 -9.311 2.252 93 3HD1 LEU 12 3HD1 LEU 12 55.655 -10.834 1.439 94 1HD2 LEU 12 1HD2 LEU 12 52.711 -8.551 0.764 95 2HD2 LEU 12 2HD2 LEU 12 51.676 -9.407 1.909 96 3HD2 LEU 12 3HD2 LEU 12 53.074 -8.501 2.489 97 H THR 13 H THR 13 49.344 -12.050 -0.345 98 HA THR 13 HA THR 13 49.533 -14.081 -2.251 99 HB THR 13 HB THR 13 47.568 -12.595 -3.290 100 HG1 THR 13 HG1 THR 13 46.954 -10.988 -1.996 101 1HG2 THR 13 1HG2 THR 13 47.434 -14.701 -1.871 102 2HG2 THR 13 2HG2 THR 13 47.349 -13.645 -0.461 103 3HG2 THR 13 3HG2 THR 13 46.084 -13.582 -1.688 104 H GLU 14 H GLU 14 49.614 -13.976 -4.625 105 HA GLU 14 HA GLU 14 51.811 -12.650 -5.741 106 1HB GLU 14 1HB GLU 14 50.606 -13.132 -7.910 107 2HB GLU 14 2HB GLU 14 50.672 -14.507 -6.807 108 1HG GLU 14 1HG GLU 14 48.371 -13.456 -5.951 109 2HG GLU 14 2HG GLU 14 48.338 -12.815 -7.593 110 H GLU 15 H GLU 15 48.402 -11.573 -5.702 111 HA GLU 15 HA GLU 15 48.777 -9.183 -7.234 112 1HB GLU 15 1HB GLU 15 46.573 -8.649 -6.394 113 2HB GLU 15 2HB GLU 15 46.638 -10.398 -6.615 114 1HG GLU 15 1HG GLU 15 45.754 -10.282 -4.473 115 2HG GLU 15 2HG GLU 15 47.477 -10.359 -4.103 116 H GLN 16 H GLN 16 49.763 -9.987 -4.038 117 HA GLN 16 HA GLN 16 49.758 -7.217 -3.031 118 1HB GLN 16 1HB GLN 16 49.324 -9.216 -1.616 119 2HB GLN 16 2HB GLN 16 50.956 -9.791 -1.956 120 1HG GLN 16 1HG GLN 16 50.765 -8.571 0.231 121 2HG GLN 16 2HG GLN 16 51.927 -7.846 -0.880 122 1HE2 GLN 16 2HE2 GLN 16 51.693 -5.621 -1.118 123 2HE2 GLN 16 1HE2 GLN 16 50.251 -4.759 -0.873 124 H LYS 17 H LYS 17 52.341 -9.666 -3.480 125 HA LYS 17 HA LYS 17 54.538 -7.893 -3.260 126 1HB LYS 17 1HB LYS 17 53.984 -10.569 -4.491 127 2HB LYS 17 2HB LYS 17 55.545 -9.809 -4.801 128 1HG LYS 17 1HG LYS 17 56.225 -9.983 -2.609 129 2HG LYS 17 2HG LYS 17 54.584 -9.829 -1.979 130 1HD LYS 17 1HD LYS 17 54.347 -12.066 -1.883 131 2HD LYS 17 2HD LYS 17 54.826 -12.233 -3.573 132 1HE LYS 17 1HE LYS 17 57.161 -11.580 -2.023 133 2HE LYS 17 2HE LYS 17 56.340 -12.971 -1.285 134 1HZ LYS 17 1HZ LYS 17 56.085 -13.836 -3.623 135 2HZ LYS 17 2HZ LYS 17 57.203 -12.649 -4.103 136 3HZ LYS 17 3HZ LYS 17 57.663 -13.859 -3.004 137 H ASN 18 H ASN 18 52.645 -8.837 -6.135 138 HA ASN 18 HA ASN 18 54.307 -7.535 -8.074 139 1HB ASN 18 1HB ASN 18 52.461 -7.955 -9.537 140 2HB ASN 18 2HB ASN 18 52.429 -9.263 -8.355 141 1HD2 ASN 18 2HD2 ASN 18 50.041 -8.626 -9.686 142 2HD2 ASN 18 1HD2 ASN 18 48.968 -7.881 -8.602 143 H GLU 19 H GLU 19 52.197 -6.262 -5.675 144 HA GLU 19 HA GLU 19 51.686 -3.728 -7.115 145 1HB GLU 19 1HB GLU 19 49.915 -4.615 -5.758 146 2HB GLU 19 2HB GLU 19 51.003 -4.870 -4.392 147 1HG GLU 19 1HG GLU 19 50.710 -2.757 -3.668 148 2HG GLU 19 2HG GLU 19 51.062 -2.101 -5.267 149 H PHE 20 H PHE 20 53.662 -4.969 -4.442 150 HA PHE 20 HA PHE 20 54.728 -2.347 -3.714 151 1HB PHE 20 1HB PHE 20 55.211 -5.236 -3.021 152 2HB PHE 20 2HB PHE 20 56.349 -4.006 -2.472 153 HD1 PHE 20 HD1 PHE 20 52.950 -2.856 -2.919 154 HD2 PHE 20 HD2 PHE 20 55.634 -4.722 -0.131 155 HE1 PHE 20 HE1 PHE 20 51.423 -2.268 -1.057 156 HE2 PHE 20 HE2 PHE 20 54.106 -4.134 1.732 157 HZ PHE 20 HZ PHE 20 52.000 -2.908 1.269 158 H LYS 21 H LYS 21 55.759 -5.072 -5.738 159 HA LYS 21 HA LYS 21 58.461 -4.500 -6.177 160 1HB LYS 21 1HB LYS 21 56.254 -5.870 -7.491 161 2HB LYS 21 2HB LYS 21 57.366 -5.182 -8.674 162 1HG LYS 21 1HG LYS 21 58.653 -6.527 -6.373 163 2HG LYS 21 2HG LYS 21 57.759 -7.589 -7.463 164 1HD LYS 21 1HD LYS 21 59.008 -6.304 -9.357 165 2HD LYS 21 2HD LYS 21 60.114 -5.814 -8.074 166 1HE LYS 21 1HE LYS 21 60.244 -8.330 -7.473 167 2HE LYS 21 2HE LYS 21 59.532 -8.605 -9.075 168 1HZ LYS 21 1HZ LYS 21 61.305 -6.888 -9.814 169 2HZ LYS 21 2HZ LYS 21 62.100 -7.338 -8.382 170 3HZ LYS 21 3HZ LYS 21 61.767 -8.502 -9.575 171 H ALA 22 H ALA 22 55.617 -2.899 -7.590 172 HA ALA 22 HA ALA 22 56.894 -1.327 -9.570 173 1HB ALA 22 1HB ALA 22 54.371 -1.629 -8.373 174 2HB ALA 22 2HB ALA 22 54.783 0.071 -8.138 175 3HB ALA 22 3HB ALA 22 54.755 -0.614 -9.764 176 H ALA 23 H ALA 23 56.002 -0.270 -6.257 177 HA ALA 23 HA ALA 23 57.460 2.181 -6.322 178 1HB ALA 23 1HB ALA 23 55.698 0.939 -4.666 179 2HB ALA 23 2HB ALA 23 57.190 0.711 -3.755 180 3HB ALA 23 3HB ALA 23 56.655 2.337 -4.178 181 H PHE 24 H PHE 24 58.355 -0.945 -4.802 182 HA PHE 24 HA PHE 24 60.888 -0.378 -3.837 183 1HB PHE 24 1HB PHE 24 59.663 -2.541 -3.714 184 2HB PHE 24 2HB PHE 24 60.025 -2.823 -5.418 185 HD1 PHE 24 HD1 PHE 24 61.865 -1.805 -2.299 186 HD2 PHE 24 HD2 PHE 24 61.854 -4.175 -5.883 187 HE1 PHE 24 HE1 PHE 24 64.074 -2.748 -1.682 188 HE2 PHE 24 HE2 PHE 24 64.064 -5.117 -5.266 189 HZ PHE 24 HZ PHE 24 65.173 -4.405 -3.165 190 H ASP 25 H ASP 25 59.993 -1.016 -7.227 191 HA ASP 25 HA ASP 25 62.706 -0.980 -8.243 192 1HB ASP 25 1HB ASP 25 60.129 -1.584 -9.128 193 2HB ASP 25 2HB ASP 25 60.587 -0.179 -10.090 194 H ILE 26 H ILE 26 60.070 1.446 -8.244 195 HA ILE 26 HA ILE 26 61.271 3.567 -9.579 196 HB ILE 26 HB ILE 26 59.720 3.727 -6.982 197 1HG1 ILE 26 1HG1 ILE 26 59.036 2.572 -9.571 198 2HG1 ILE 26 2HG1 ILE 26 58.132 2.528 -8.063 199 1HG2 ILE 26 1HG2 ILE 26 60.706 5.840 -7.953 200 2HG2 ILE 26 2HG2 ILE 26 59.719 5.571 -9.390 201 3HG2 ILE 26 3HG2 ILE 26 58.947 5.853 -7.829 202 1HD1 ILE 26 1HD1 ILE 26 57.312 4.848 -8.564 203 2HD1 ILE 26 2HD1 ILE 26 58.101 4.733 -10.136 204 3HD1 ILE 26 3HD1 ILE 26 56.780 3.639 -9.732 205 H PHE 27 H PHE 27 61.708 2.713 -6.130 206 HA PHE 27 HA PHE 27 63.382 4.853 -5.358 207 1HB PHE 27 1HB PHE 27 63.370 1.923 -4.557 208 2HB PHE 27 2HB PHE 27 64.162 3.204 -3.640 209 HD1 PHE 27 HD1 PHE 27 62.184 5.416 -4.018 210 HD2 PHE 27 HD2 PHE 27 61.611 1.258 -3.105 211 HE1 PHE 27 HE1 PHE 27 60.034 5.956 -2.905 212 HE2 PHE 27 HE2 PHE 27 59.461 1.798 -1.993 213 HZ PHE 27 HZ PHE 27 58.673 4.147 -1.893 214 H VAL 28 H VAL 28 64.363 1.627 -6.585 215 HA VAL 28 HA VAL 28 67.140 2.595 -6.964 216 HB VAL 28 HB VAL 28 67.588 0.230 -7.319 217 1HG1 VAL 28 1HG1 VAL 28 67.211 0.956 -4.988 218 2HG1 VAL 28 2HG1 VAL 28 65.489 0.616 -5.162 219 3HG1 VAL 28 3HG1 VAL 28 66.659 -0.701 -5.230 220 1HG2 VAL 28 1HG2 VAL 28 65.449 -0.044 -8.726 221 2HG2 VAL 28 2HG2 VAL 28 65.877 -1.393 -7.671 222 3HG2 VAL 28 3HG2 VAL 28 64.606 -0.267 -7.193 223 H LEU 29 H LEU 29 64.970 3.668 -8.701 224 HA LEU 29 HA LEU 29 64.949 2.393 -11.263 225 1HB LEU 29 1HB LEU 29 63.573 4.359 -10.155 226 2HB LEU 29 2HB LEU 29 64.809 5.373 -10.900 227 HG LEU 29 HG LEU 29 63.560 3.252 -12.589 228 1HD1 LEU 29 1HD1 LEU 29 62.192 5.796 -11.686 229 2HD1 LEU 29 2HD1 LEU 29 61.753 4.959 -13.176 230 3HD1 LEU 29 3HD1 LEU 29 61.566 4.148 -11.622 231 1HD2 LEU 29 1HD2 LEU 29 65.300 5.436 -12.935 232 2HD2 LEU 29 2HD2 LEU 29 64.569 4.459 -14.209 233 3HD2 LEU 29 3HD2 LEU 29 63.777 5.940 -13.667 234 H GLY 30 H GLY 30 67.478 3.983 -9.614 235 1HA GLY 30 1HA GLY 30 69.013 4.182 -12.169 236 2HA GLY 30 2HA GLY 30 69.105 5.471 -10.969 237 H ALA 31 H ALA 31 68.900 2.058 -10.125 238 HA ALA 31 HA ALA 31 71.629 2.283 -8.912 239 1HB ALA 31 1HB ALA 31 69.055 1.401 -8.022 240 2HB ALA 31 2HB ALA 31 70.135 0.006 -8.021 241 3HB ALA 31 3HB ALA 31 70.560 1.450 -7.104 242 H GLU 32 H GLU 32 73.016 0.357 -9.069 243 HA GLU 32 HA GLU 32 72.548 -1.156 -11.603 244 1HB GLU 32 1HB GLU 32 74.971 -0.465 -9.924 245 2HB GLU 32 2HB GLU 32 75.051 -1.592 -11.278 246 1HG GLU 32 1HG GLU 32 75.614 0.457 -12.279 247 2HG GLU 32 2HG GLU 32 73.891 0.314 -12.627 248 H ASP 33 H ASP 33 73.259 -1.564 -8.150 249 HA ASP 33 HA ASP 33 73.516 -4.468 -8.308 250 1HB ASP 33 1HB ASP 33 73.369 -2.334 -6.201 251 2HB ASP 33 2HB ASP 33 73.178 -4.019 -5.719 252 H GLY 34 H GLY 34 70.945 -2.172 -7.427 253 1HA GLY 34 1HA GLY 34 68.603 -2.738 -7.905 254 2HA GLY 34 2HA GLY 34 69.001 -4.431 -7.607 255 H CYS 35 H CYS 35 70.446 -2.211 -5.434 256 HA CYS 35 HA CYS 35 68.398 -2.920 -3.357 257 1HB CYS 35 1HB CYS 35 71.410 -2.643 -3.322 258 2HB CYS 35 2HB CYS 35 70.462 -2.659 -1.835 259 HG CYS 35 HG CYS 35 69.989 -5.098 -2.132 260 H ILE 36 H ILE 36 67.859 -1.242 -1.842 261 HA ILE 36 HA ILE 36 68.165 1.484 -2.902 262 HB ILE 36 HB ILE 36 66.740 0.236 -0.537 263 1HG1 ILE 36 1HG1 ILE 36 65.759 1.443 -3.145 264 2HG1 ILE 36 2HG1 ILE 36 65.837 -0.281 -2.782 265 1HG2 ILE 36 1HG2 ILE 36 67.042 3.104 -1.396 266 2HG2 ILE 36 2HG2 ILE 36 65.554 2.572 -0.614 267 3HG2 ILE 36 3HG2 ILE 36 67.095 2.423 0.230 268 1HD1 ILE 36 1HD1 ILE 36 64.388 0.350 -0.699 269 2HD1 ILE 36 2HD1 ILE 36 64.023 1.814 -1.613 270 3HD1 ILE 36 3HD1 ILE 36 63.608 0.234 -2.276 271 H SER 37 H SER 37 68.980 3.250 -1.572 272 HA SER 37 HA SER 37 70.601 2.625 0.813 273 1HB SER 37 1HB SER 37 71.620 2.966 -1.939 274 2HB SER 37 2HB SER 37 72.480 3.877 -0.703 275 HG SER 37 HG SER 37 72.811 1.950 0.420 276 H THR 38 H THR 38 68.352 4.319 0.209 277 HA THR 38 HA THR 38 67.608 6.474 0.847 278 HB THR 38 HB THR 38 69.022 7.744 2.192 279 HG1 THR 38 HG1 THR 38 71.471 7.269 1.668 280 1HG2 THR 38 1HG2 THR 38 69.235 5.008 2.489 281 2HG2 THR 38 2HG2 THR 38 70.920 5.530 2.481 282 3HG2 THR 38 3HG2 THR 38 69.793 6.208 3.657 283 H LYS 39 H LYS 39 70.732 6.683 -0.926 284 HA LYS 39 HA LYS 39 70.163 9.028 -2.408 285 1HB LYS 39 1HB LYS 39 71.818 6.545 -2.818 286 2HB LYS 39 2HB LYS 39 71.729 7.753 -4.101 287 1HG LYS 39 1HG LYS 39 72.243 9.433 -2.125 288 2HG LYS 39 2HG LYS 39 72.906 7.990 -1.356 289 1HD LYS 39 1HD LYS 39 73.655 8.751 -4.180 290 2HD LYS 39 2HD LYS 39 74.520 9.404 -2.788 291 1HE LYS 39 1HE LYS 39 74.236 6.575 -2.403 292 2HE LYS 39 2HE LYS 39 74.902 6.861 -4.023 293 1HZ LYS 39 1HZ LYS 39 76.418 8.515 -2.965 294 2HZ LYS 39 2HZ LYS 39 75.896 7.958 -1.451 295 3HZ LYS 39 3HZ LYS 39 76.714 6.906 -2.504 296 H GLU 40 H GLU 40 69.210 5.665 -2.932 297 HA GLU 40 HA GLU 40 67.911 6.256 -5.517 298 1HB GLU 40 1HB GLU 40 68.186 3.836 -3.710 299 2HB GLU 40 2HB GLU 40 67.304 3.794 -5.234 300 1HG GLU 40 1HG GLU 40 70.233 4.480 -4.867 301 2HG GLU 40 2HG GLU 40 69.581 3.023 -5.619 302 H LEU 41 H LEU 41 67.037 5.604 -2.147 303 HA LEU 41 HA LEU 41 64.167 5.518 -2.608 304 1HB LEU 41 1HB LEU 41 65.601 4.502 -0.724 305 2HB LEU 41 2HB LEU 41 65.658 6.125 -0.042 306 HG LEU 41 HG LEU 41 63.842 4.907 1.009 307 1HD1 LEU 41 1HD1 LEU 41 63.569 7.350 0.247 308 2HD1 LEU 41 2HD1 LEU 41 62.528 6.707 -1.024 309 3HD1 LEU 41 3HD1 LEU 41 62.099 6.470 0.670 310 1HD2 LEU 41 1HD2 LEU 41 63.276 4.130 -1.813 311 2HD2 LEU 41 2HD2 LEU 41 63.116 3.188 -0.332 312 3HD2 LEU 41 3HD2 LEU 41 61.884 4.375 -0.760 313 H GLY 42 H GLY 42 66.328 7.943 -1.078 314 1HA GLY 42 1HA GLY 42 64.525 9.971 -0.540 315 2HA GLY 42 2HA GLY 42 66.162 10.299 -1.108 316 H LYS 43 H LYS 43 65.767 9.027 -3.715 317 HA LYS 43 HA LYS 43 65.070 11.147 -5.353 318 1HB LYS 43 1HB LYS 43 65.078 8.184 -5.534 319 2HB LYS 43 2HB LYS 43 64.185 9.022 -6.803 320 1HG LYS 43 1HG LYS 43 66.982 9.848 -6.020 321 2HG LYS 43 2HG LYS 43 66.687 8.606 -7.235 322 1HD LYS 43 1HD LYS 43 65.021 10.941 -7.692 323 2HD LYS 43 2HD LYS 43 66.731 11.369 -7.660 324 1HE LYS 43 1HE LYS 43 66.148 10.753 -9.947 325 2HE LYS 43 2HE LYS 43 67.144 9.449 -9.273 326 1HZ LYS 43 1HZ LYS 43 64.199 9.450 -8.998 327 2HZ LYS 43 2HZ LYS 43 64.954 8.785 -10.367 328 3HZ LYS 43 3HZ LYS 43 65.274 8.149 -8.825 329 H VAL 44 H VAL 44 62.826 8.699 -4.017 330 HA VAL 44 HA VAL 44 60.464 9.759 -5.287 331 HB VAL 44 HB VAL 44 61.131 7.927 -2.993 332 1HG1 VAL 44 1HG1 VAL 44 58.460 9.174 -3.598 333 2HG1 VAL 44 2HG1 VAL 44 58.534 7.516 -3.003 334 3HG1 VAL 44 3HG1 VAL 44 59.197 8.831 -2.034 335 1HG2 VAL 44 1HG2 VAL 44 60.036 7.752 -5.767 336 2HG2 VAL 44 2HG2 VAL 44 61.212 6.717 -4.958 337 3HG2 VAL 44 3HG2 VAL 44 59.494 6.547 -4.599 338 H MET 45 H MET 45 61.932 10.252 -2.067 339 HA MET 45 HA MET 45 60.074 11.772 -0.724 340 1HB MET 45 1HB MET 45 63.036 12.339 -1.088 341 2HB MET 45 2HB MET 45 62.046 12.950 0.238 342 1HG MET 45 1HG MET 45 62.664 10.048 -0.381 343 2HG MET 45 2HG MET 45 63.205 10.970 1.019 344 1HE MET 45 1HE MET 45 60.848 9.231 -0.910 345 2HE MET 45 2HE MET 45 60.414 8.162 0.421 346 3HE MET 45 3HE MET 45 59.238 9.323 -0.188 347 H ARG 46 H ARG 46 62.048 12.839 -3.476 348 HA ARG 46 HA ARG 46 60.967 15.580 -3.365 349 1HB ARG 46 1HB ARG 46 62.669 14.128 -5.419 350 2HB ARG 46 2HB ARG 46 62.437 15.873 -5.316 351 1HG ARG 46 1HG ARG 46 63.240 15.272 -2.762 352 2HG ARG 46 2HG ARG 46 64.172 14.114 -3.712 353 1HD ARG 46 1HD ARG 46 64.159 17.135 -3.969 354 2HD ARG 46 2HD ARG 46 65.542 16.069 -3.649 355 HE ARG 46 HE ARG 46 65.001 15.078 -5.980 356 1HH1 ARG 46 1HH1 ARG 46 65.457 18.303 -5.143 357 2HH1 ARG 46 2HH1 ARG 46 65.005 18.947 -6.686 358 1HH2 ARG 46 1HH2 ARG 46 63.915 15.903 -7.938 359 2HH2 ARG 46 2HH2 ARG 46 64.136 17.589 -8.268 360 H MET 47 H MET 47 60.570 12.632 -5.304 361 HA MET 47 HA MET 47 58.888 13.737 -7.345 362 1HB MET 47 1HB MET 47 59.358 11.000 -6.160 363 2HB MET 47 2HB MET 47 58.222 11.239 -7.488 364 1HG MET 47 1HG MET 47 60.489 12.661 -8.277 365 2HG MET 47 2HG MET 47 61.139 11.196 -7.541 366 1HE MET 47 1HE MET 47 59.825 9.197 -7.609 367 2HE MET 47 2HE MET 47 58.550 8.791 -8.764 368 3HE MET 47 3HE MET 47 60.225 8.366 -9.110 369 H LEU 48 H LEU 48 58.216 12.533 -4.087 370 HA LEU 48 HA LEU 48 55.333 12.402 -4.404 371 1HB LEU 48 1HB LEU 48 57.018 12.776 -1.906 372 2HB LEU 48 2HB LEU 48 55.386 12.112 -1.983 373 HG LEU 48 HG LEU 48 57.728 10.862 -3.432 374 1HD1 LEU 48 1HD1 LEU 48 56.736 10.529 -0.614 375 2HD1 LEU 48 2HD1 LEU 48 57.455 9.160 -1.462 376 3HD1 LEU 48 3HD1 LEU 48 58.396 10.629 -1.200 377 1HD2 LEU 48 1HD2 LEU 48 54.976 9.867 -2.632 378 2HD2 LEU 48 2HD2 LEU 48 55.520 10.225 -4.271 379 3HD2 LEU 48 3HD2 LEU 48 56.221 8.870 -3.386 380 H GLY 49 H GLY 49 57.615 14.844 -3.181 381 1HA GLY 49 1HA GLY 49 56.906 17.221 -3.797 382 2HA GLY 49 2HA GLY 49 55.350 16.796 -3.083 383 H GLN 50 H GLN 50 58.379 15.671 -1.706 384 HA GLN 50 HA GLN 50 58.290 17.765 0.401 385 1HB GLN 50 1HB GLN 50 57.481 14.912 0.618 386 2HB GLN 50 2HB GLN 50 58.463 15.540 1.942 387 1HG GLN 50 1HG GLN 50 56.754 16.777 2.747 388 2HG GLN 50 2HG GLN 50 56.369 17.413 1.147 389 1HE2 GLN 50 2HE2 GLN 50 54.530 16.564 0.116 390 2HE2 GLN 50 1HE2 GLN 50 53.659 15.218 0.671 391 H ASN 51 H ASN 51 60.079 16.683 2.174 392 HA ASN 51 HA ASN 51 62.368 15.431 0.875 393 1HB ASN 51 1HB ASN 51 62.026 18.034 0.230 394 2HB ASN 51 2HB ASN 51 62.949 18.227 1.722 395 1HD2 ASN 51 2HD2 ASN 51 65.077 17.000 1.821 396 2HD2 ASN 51 1HD2 ASN 51 65.917 16.719 0.373 397 HA PRO 52 HA PRO 52 62.395 15.055 5.409 398 1HB PRO 52 1HB PRO 52 63.452 12.535 5.436 399 2HB PRO 52 2HB PRO 52 61.721 12.851 5.206 400 1HG PRO 52 1HG PRO 52 63.802 12.167 3.199 401 2HG PRO 52 2HG PRO 52 62.101 11.684 3.273 402 1HD PRO 52 1HD PRO 52 63.081 13.654 1.629 403 2HD PRO 52 2HD PRO 52 61.394 13.554 2.179 404 H THR 53 H THR 53 64.313 14.585 6.895 405 HA THR 53 HA THR 53 66.710 15.898 5.885 406 HB THR 53 HB THR 53 67.342 14.871 8.340 407 HG1 THR 53 HG1 THR 53 65.333 14.979 9.501 408 1HG2 THR 53 1HG2 THR 53 67.115 17.289 7.473 409 2HG2 THR 53 2HG2 THR 53 65.458 17.207 8.069 410 3HG2 THR 53 3HG2 THR 53 66.807 17.011 9.187 411 HA PRO 54 HA PRO 54 69.177 12.418 4.859 412 1HB PRO 54 1HB PRO 54 71.561 12.914 6.108 413 2HB PRO 54 2HB PRO 54 71.004 13.828 4.694 414 1HG PRO 54 1HG PRO 54 70.937 14.572 7.573 415 2HG PRO 54 2HG PRO 54 71.272 15.577 6.155 416 1HD PRO 54 1HD PRO 54 68.877 15.562 7.464 417 2HD PRO 54 2HD PRO 54 69.056 15.960 5.740 418 H GLU 55 H GLU 55 68.726 13.124 8.250 419 HA GLU 55 HA GLU 55 69.885 10.634 9.246 420 1HB GLU 55 1HB GLU 55 68.291 12.952 10.296 421 2HB GLU 55 2HB GLU 55 68.434 11.499 11.286 422 1HG GLU 55 1HG GLU 55 70.780 11.682 11.436 423 2HG GLU 55 2HG GLU 55 70.873 12.771 10.051 424 H GLU 56 H GLU 56 66.638 11.789 8.384 425 HA GLU 56 HA GLU 56 65.221 9.477 9.406 426 1HB GLU 56 1HB GLU 56 64.576 11.590 7.322 427 2HB GLU 56 2HB GLU 56 63.398 10.451 7.974 428 1HG GLU 56 1HG GLU 56 65.033 12.318 9.710 429 2HG GLU 56 2HG GLU 56 63.423 12.715 9.111 430 H LEU 57 H LEU 57 66.782 10.286 6.344 431 HA LEU 57 HA LEU 57 65.660 8.366 4.615 432 1HB LEU 57 1HB LEU 57 67.877 10.143 4.752 433 2HB LEU 57 2HB LEU 57 68.503 8.576 4.236 434 HG LEU 57 HG LEU 57 66.261 10.158 2.952 435 1HD1 LEU 57 1HD1 LEU 57 69.073 10.052 2.543 436 2HD1 LEU 57 2HD1 LEU 57 68.321 9.217 1.184 437 3HD1 LEU 57 3HD1 LEU 57 67.869 10.881 1.554 438 1HD2 LEU 57 1HD2 LEU 57 67.185 7.305 2.581 439 2HD2 LEU 57 2HD2 LEU 57 65.541 7.902 2.811 440 3HD2 LEU 57 3HD2 LEU 57 66.377 8.187 1.285 441 H GLN 58 H GLN 58 68.774 7.939 6.352 442 HA GLN 58 HA GLN 58 69.180 5.223 5.898 443 1HB GLN 58 1HB GLN 58 70.143 7.269 7.586 444 2HB GLN 58 2HB GLN 58 69.751 5.921 8.654 445 1HG GLN 58 1HG GLN 58 71.152 5.185 6.152 446 2HG GLN 58 2HG GLN 58 72.103 6.129 7.299 447 1HE2 GLN 58 2HE2 GLN 58 71.654 3.012 6.488 448 2HE2 GLN 58 1HE2 GLN 58 71.779 2.265 8.007 449 H GLU 59 H GLU 59 66.917 6.736 8.152 450 HA GLU 59 HA GLU 59 66.221 4.525 9.772 451 1HB GLU 59 1HB GLU 59 65.501 7.094 9.604 452 2HB GLU 59 2HB GLU 59 64.124 6.400 8.746 453 1HG GLU 59 1HG GLU 59 63.629 6.574 11.147 454 2HG GLU 59 2HG GLU 59 63.712 4.880 10.660 455 H MET 60 H MET 60 64.672 5.597 6.721 456 HA MET 60 HA MET 60 62.777 3.566 6.395 457 1HB MET 60 1HB MET 60 64.536 5.130 4.501 458 2HB MET 60 2HB MET 60 63.320 4.005 3.894 459 1HG MET 60 1HG MET 60 61.756 5.598 4.171 460 2HG MET 60 2HG MET 60 62.056 5.546 5.908 461 1HE MET 60 1HE MET 60 62.665 6.907 2.579 462 2HE MET 60 2HE MET 60 61.635 8.152 3.281 463 3HE MET 60 3HE MET 60 63.288 8.542 2.786 464 H ILE 61 H ILE 61 66.266 3.458 5.749 465 HA ILE 61 HA ILE 61 66.130 0.733 4.641 466 HB ILE 61 HB ILE 61 68.288 2.751 5.287 467 1HG1 ILE 61 1HG1 ILE 61 68.576 2.310 2.708 468 2HG1 ILE 61 2HG1 ILE 61 66.934 1.679 2.829 469 1HG2 ILE 61 1HG2 ILE 61 68.566 -0.103 5.123 470 2HG2 ILE 61 2HG2 ILE 61 69.330 0.623 3.709 471 3HG2 ILE 61 3HG2 ILE 61 69.828 1.111 5.330 472 1HD1 ILE 61 1HD1 ILE 61 67.406 4.275 4.179 473 2HD1 ILE 61 2HD1 ILE 61 67.496 4.304 2.417 474 3HD1 ILE 61 3HD1 ILE 61 66.028 3.739 3.215 475 H ASP 62 H ASP 62 67.605 2.291 7.515 476 HA ASP 62 HA ASP 62 68.573 -0.019 8.810 477 1HB ASP 62 1HB ASP 62 68.140 2.742 9.324 478 2HB ASP 62 2HB ASP 62 67.447 1.859 10.686 479 H GLU 63 H GLU 63 65.283 1.246 8.609 480 HA GLU 63 HA GLU 63 64.064 -0.198 10.727 481 1HB GLU 63 1HB GLU 63 63.331 1.544 8.720 482 2HB GLU 63 2HB GLU 63 62.518 0.056 8.232 483 1HG GLU 63 1HG GLU 63 61.290 -0.074 10.240 484 2HG GLU 63 2HG GLU 63 62.374 1.034 11.080 485 H VAL 64 H VAL 64 65.148 -1.255 7.556 486 HA VAL 64 HA VAL 64 64.304 -4.038 8.264 487 HB VAL 64 HB VAL 64 63.562 -4.301 5.917 488 1HG1 VAL 64 1HG1 VAL 64 62.263 -2.930 7.945 489 2HG1 VAL 64 2HG1 VAL 64 62.092 -1.849 6.563 490 3HG1 VAL 64 3HG1 VAL 64 61.511 -3.510 6.460 491 1HG2 VAL 64 1HG2 VAL 64 64.642 -1.505 5.767 492 2HG2 VAL 64 2HG2 VAL 64 64.815 -2.829 4.616 493 3HG2 VAL 64 3HG2 VAL 64 63.289 -1.953 4.728 494 H ASP 65 H ASP 65 66.809 -3.610 8.829 495 HA ASP 65 HA ASP 65 68.371 -4.537 6.442 496 1HB ASP 65 1HB ASP 65 68.543 -2.092 7.887 497 2HB ASP 65 2HB ASP 65 69.974 -3.036 8.301 498 H GLU 66 H GLU 66 68.882 -6.647 6.974 499 HA GLU 66 HA GLU 66 69.838 -7.171 9.772 500 1HB GLU 66 1HB GLU 66 68.035 -8.611 7.869 501 2HB GLU 66 2HB GLU 66 69.032 -9.586 8.949 502 1HG GLU 66 1HG GLU 66 68.090 -7.690 10.676 503 2HG GLU 66 2HG GLU 66 66.724 -7.854 9.574 504 H ASP 67 H ASP 67 71.471 -6.314 7.468 505 HA ASP 67 HA ASP 67 73.303 -8.670 7.370 506 1HB ASP 67 1HB ASP 67 73.619 -7.960 4.887 507 2HB ASP 67 2HB ASP 67 72.154 -8.849 5.308 508 H GLY 68 H GLY 68 73.097 -5.785 8.582 509 1HA GLY 68 1HA GLY 68 74.513 -3.915 8.847 510 2HA GLY 68 2HA GLY 68 75.776 -5.146 8.824 511 H SER 69 H SER 69 73.677 -4.472 6.081 512 HA SER 69 HA SER 69 76.086 -3.745 4.490 513 1HB SER 69 1HB SER 69 74.610 -4.283 2.603 514 2HB SER 69 2HB SER 69 74.538 -5.576 3.797 515 HG SER 69 HG SER 69 72.515 -4.372 2.833 516 H GLY 70 H GLY 70 72.948 -2.480 5.528 517 1HA GLY 70 1HA GLY 70 72.461 -0.144 5.792 518 2HA GLY 70 2HA GLY 70 73.843 0.236 4.763 519 H THR 71 H THR 71 72.520 -2.127 3.058 520 HA THR 71 HA THR 71 70.796 -0.245 1.493 521 HB THR 71 HB THR 71 71.330 -1.955 -0.334 522 HG1 THR 71 HG1 THR 71 71.937 -3.687 0.890 523 1HG2 THR 71 1HG2 THR 71 73.005 0.058 0.907 524 2HG2 THR 71 2HG2 THR 71 73.989 -1.195 0.150 525 3HG2 THR 71 3HG2 THR 71 72.795 -0.315 -0.804 526 H VAL 72 H VAL 72 68.828 -1.168 0.534 527 HA VAL 72 HA VAL 72 67.707 -3.408 2.182 528 HB VAL 72 HB VAL 72 66.596 -0.884 0.961 529 1HG1 VAL 72 1HG1 VAL 72 65.107 -2.779 0.307 530 2HG1 VAL 72 2HG1 VAL 72 64.958 -3.213 2.010 531 3HG1 VAL 72 3HG1 VAL 72 64.330 -1.668 1.436 532 1HG2 VAL 72 1HG2 VAL 72 66.556 -2.171 3.706 533 2HG2 VAL 72 2HG2 VAL 72 67.398 -0.696 3.231 534 3HG2 VAL 72 3HG2 VAL 72 65.637 -0.722 3.298 535 H ASP 73 H ASP 73 66.945 -5.195 1.088 536 HA ASP 73 HA ASP 73 67.103 -5.154 -1.897 537 1HB ASP 73 1HB ASP 73 67.190 -7.654 -1.540 538 2HB ASP 73 2HB ASP 73 68.514 -6.779 -0.768 539 H PHE 74 H PHE 74 65.409 -6.806 -2.867 540 HA PHE 74 HA PHE 74 62.782 -5.811 -2.445 541 1HB PHE 74 1HB PHE 74 63.364 -6.899 -4.494 542 2HB PHE 74 2HB PHE 74 63.914 -8.347 -3.648 543 HD1 PHE 74 HD1 PHE 74 60.839 -6.215 -3.959 544 HD2 PHE 74 HD2 PHE 74 62.462 -10.170 -3.535 545 HE1 PHE 74 HE1 PHE 74 58.554 -7.168 -4.100 546 HE2 PHE 74 HE2 PHE 74 60.176 -11.122 -3.676 547 HZ PHE 74 HZ PHE 74 58.223 -9.621 -3.958 548 H ASP 75 H ASP 75 64.609 -8.050 -0.580 549 HA ASP 75 HA ASP 75 62.244 -9.412 0.561 550 1HB ASP 75 1HB ASP 75 65.126 -9.767 0.359 551 2HB ASP 75 2HB ASP 75 64.568 -10.027 2.011 552 H GLU 76 H GLU 76 64.574 -6.896 1.427 553 HA GLU 76 HA GLU 76 63.624 -6.731 4.208 554 1HB GLU 76 1HB GLU 76 65.681 -5.456 2.446 555 2HB GLU 76 2HB GLU 76 65.204 -4.604 3.915 556 1HG GLU 76 1HG GLU 76 65.746 -6.575 5.266 557 2HG GLU 76 2HG GLU 76 66.162 -7.480 3.811 558 H PHE 77 H PHE 77 63.137 -5.025 1.150 559 HA PHE 77 HA PHE 77 61.862 -2.680 2.212 560 1HB PHE 77 1HB PHE 77 62.747 -2.782 -0.039 561 2HB PHE 77 2HB PHE 77 61.705 -4.149 -0.436 562 HD1 PHE 77 HD1 PHE 77 61.724 -0.532 0.421 563 HD2 PHE 77 HD2 PHE 77 59.427 -3.835 -1.080 564 HE1 PHE 77 HE1 PHE 77 59.928 1.033 -0.273 565 HE2 PHE 77 HE2 PHE 77 57.631 -2.272 -1.775 566 HZ PHE 77 HZ PHE 77 57.882 0.162 -1.372 567 H LEU 78 H LEU 78 60.691 -5.923 1.475 568 HA LEU 78 HA LEU 78 57.883 -5.373 1.421 569 1HB LEU 78 1HB LEU 78 59.541 -7.790 2.195 570 2HB LEU 78 2HB LEU 78 57.789 -7.842 1.996 571 HG LEU 78 HG LEU 78 59.562 -6.745 -0.181 572 1HD1 LEU 78 1HD1 LEU 78 60.221 -9.122 0.536 573 2HD1 LEU 78 2HD1 LEU 78 58.627 -9.616 -0.033 574 3HD1 LEU 78 3HD1 LEU 78 59.784 -8.904 -1.158 575 1HD2 LEU 78 1HD2 LEU 78 56.782 -7.944 -0.035 576 2HD2 LEU 78 2HD2 LEU 78 57.206 -6.278 -0.425 577 3HD2 LEU 78 3HD2 LEU 78 57.601 -7.574 -1.554 578 H VAL 79 H VAL 79 60.134 -5.954 4.101 579 HA VAL 79 HA VAL 79 58.077 -6.223 6.136 580 HB VAL 79 HB VAL 79 61.044 -5.603 6.165 581 1HG1 VAL 79 1HG1 VAL 79 59.170 -5.229 8.248 582 2HG1 VAL 79 2HG1 VAL 79 60.013 -6.733 8.616 583 3HG1 VAL 79 3HG1 VAL 79 60.928 -5.244 8.386 584 1HG2 VAL 79 1HG2 VAL 79 59.430 -8.115 6.712 585 2HG2 VAL 79 2HG2 VAL 79 60.463 -7.825 5.312 586 3HG2 VAL 79 3HG2 VAL 79 61.176 -7.976 6.918 587 H MET 80 H MET 80 59.802 -3.521 4.686 588 HA MET 80 HA MET 80 59.282 -1.562 6.726 589 1HB MET 80 1HB MET 80 60.638 -1.771 4.310 590 2HB MET 80 2HB MET 80 59.357 -0.611 3.953 591 1HG MET 80 1HG MET 80 60.530 -0.078 6.552 592 2HG MET 80 2HG MET 80 61.767 -0.082 5.295 593 1HE MET 80 1HE MET 80 61.461 0.800 3.119 594 2HE MET 80 2HE MET 80 59.779 1.072 2.641 595 3HE MET 80 3HE MET 80 60.887 2.434 2.794 596 H MET 81 H MET 81 57.182 -3.157 4.556 597 HA MET 81 HA MET 81 55.213 -0.917 4.545 598 1HB MET 81 1HB MET 81 55.598 -3.510 3.051 599 2HB MET 81 2HB MET 81 54.054 -2.658 2.991 600 1HG MET 81 1HG MET 81 56.740 -1.449 2.271 601 2HG MET 81 2HG MET 81 55.533 -2.003 1.111 602 1HE MET 81 1HE MET 81 56.715 0.729 0.913 603 2HE MET 81 2HE MET 81 55.345 0.300 -0.108 604 3HE MET 81 3HE MET 81 55.356 1.841 0.763 605 H VAL 82 H VAL 82 55.964 -3.762 6.277 606 HA VAL 82 HA VAL 82 53.162 -4.355 7.032 607 HB VAL 82 HB VAL 82 55.683 -5.551 8.189 608 1HG1 VAL 82 1HG1 VAL 82 53.129 -6.029 8.816 609 2HG1 VAL 82 2HG1 VAL 82 53.243 -7.086 7.409 610 3HG1 VAL 82 3HG1 VAL 82 54.327 -7.322 8.780 611 1HG2 VAL 82 1HG2 VAL 82 54.427 -6.053 5.480 612 2HG2 VAL 82 2HG2 VAL 82 56.106 -5.647 5.832 613 3HG2 VAL 82 3HG2 VAL 82 55.471 -7.232 6.274 614 H ARG 83 H ARG 83 56.159 -3.128 8.528 615 HA ARG 83 HA ARG 83 55.291 -2.885 11.201 616 1HB ARG 83 1HB ARG 83 57.183 -1.361 9.413 617 2HB ARG 83 2HB ARG 83 56.979 -0.903 11.105 618 1HG ARG 83 1HG ARG 83 57.570 -3.190 11.806 619 2HG ARG 83 2HG ARG 83 57.761 -3.663 10.117 620 1HD ARG 83 1HD ARG 83 59.937 -3.068 11.296 621 2HD ARG 83 2HD ARG 83 59.618 -2.110 9.835 622 HE ARG 83 HE ARG 83 59.316 -0.215 11.217 623 1HH1 ARG 83 1HH1 ARG 83 60.508 -2.586 13.162 624 2HH1 ARG 83 2HH1 ARG 83 59.747 -2.059 14.625 625 1HH2 ARG 83 1HH2 ARG 83 57.691 0.240 13.044 626 2HH2 ARG 83 2HH2 ARG 83 58.153 -0.461 14.559 627 H CYS 84 H CYS 84 54.664 -0.783 8.416 628 HA CYS 84 HA CYS 84 53.043 1.015 10.179 629 1HB CYS 84 1HB CYS 84 54.074 1.435 7.357 630 2HB CYS 84 2HB CYS 84 53.401 2.664 8.428 631 HG CYS 84 HG CYS 84 56.208 2.279 8.374 632 H MET 85 H MET 85 52.208 -1.659 9.038 633 HA MET 85 HA MET 85 50.235 -0.977 6.956 634 1HB MET 85 1HB MET 85 51.681 -3.233 7.830 635 2HB MET 85 2HB MET 85 49.991 -3.598 8.176 636 1HG MET 85 1HG MET 85 49.469 -2.832 5.803 637 2HG MET 85 2HG MET 85 51.208 -2.835 5.515 638 1HE MET 85 1HE MET 85 51.739 -4.093 4.114 639 2HE MET 85 2HE MET 85 52.453 -5.564 4.767 640 3HE MET 85 3HE MET 85 51.113 -5.674 3.630 641 H LYS 86 H LYS 86 49.854 -2.776 10.031 642 HA LYS 86 HA LYS 86 47.062 -2.184 10.292 643 1HB LYS 86 1HB LYS 86 49.284 -3.250 12.002 644 2HB LYS 86 2HB LYS 86 47.744 -2.858 12.769 645 1HG LYS 86 1HG LYS 86 46.898 -4.804 12.025 646 2HG LYS 86 2HG LYS 86 47.153 -4.262 10.366 647 1HD LYS 86 1HD LYS 86 48.400 -6.265 10.504 648 2HD LYS 86 2HD LYS 86 49.608 -4.996 10.711 649 1HE LYS 86 1HE LYS 86 49.835 -5.404 13.009 650 2HE LYS 86 2HE LYS 86 48.238 -6.170 13.127 651 1HZ LYS 86 1HZ LYS 86 49.177 -7.845 11.468 652 2HZ LYS 86 2HZ LYS 86 50.707 -7.244 11.901 653 3HZ LYS 86 3HZ LYS 86 49.715 -7.961 13.076 654 H ASP 87 H ASP 87 49.047 -1.306 13.032 655 HA ASP 87 HA ASP 87 49.136 0.696 14.283 656 1HB ASP 87 1HB ASP 87 48.848 1.893 11.510 657 2HB ASP 87 2HB ASP 87 49.610 2.648 12.911 658 H ASP 88 H ASP 88 47.152 0.676 15.413 659 HA ASP 88 HA ASP 88 44.554 1.022 14.418 660 1HB ASP 88 1HB ASP 88 45.862 1.954 16.991 661 2HB ASP 88 2HB ASP 88 44.116 1.891 16.745 662 H SER 89 H SER 89 45.650 3.714 16.373 663 HA SER 89 HA SER 89 45.674 5.630 14.147 664 1HB SER 89 1HB SER 89 43.246 4.963 14.696 665 2HB SER 89 2HB SER 89 43.476 5.822 16.216 666 HG SER 89 HG SER 89 43.882 6.899 13.616 667 1H ARG 1 1H ARG 1 60.179 4.947 7.259 668 2H ARG 1 2H ARG 1 60.260 5.527 8.853 669 3H ARG 1 3H ARG 1 59.980 3.878 8.560 670 HA ARG 1 HA ARG 1 57.784 4.164 8.263 671 1HB ARG 1 1HB ARG 1 58.757 5.696 10.215 672 2HB ARG 1 2HB ARG 1 58.142 6.992 9.187 673 1HG ARG 1 1HG ARG 1 55.916 5.974 9.186 674 2HG ARG 1 2HG ARG 1 56.513 4.617 10.142 675 1HD ARG 1 1HD ARG 1 57.287 6.530 11.807 676 2HD ARG 1 2HD ARG 1 56.006 7.450 10.994 677 HE ARG 1 HE ARG 1 54.859 4.964 11.509 678 1HH1 ARG 1 1HH1 ARG 1 56.964 5.709 13.826 679 2HH1 ARG 1 2HH1 ARG 1 55.829 6.164 15.053 680 1HH2 ARG 1 1HH2 ARG 1 53.131 6.304 12.879 681 2HH2 ARG 1 2HH2 ARG 1 53.658 6.499 14.517 682 H ILE 2 H ILE 2 56.522 4.538 6.479 683 HA ILE 2 HA ILE 2 56.914 7.076 4.947 684 HB ILE 2 HB ILE 2 56.823 4.251 3.836 685 1HG1 ILE 2 1HG1 ILE 2 59.072 6.279 4.063 686 2HG1 ILE 2 2HG1 ILE 2 58.963 4.740 4.919 687 1HG2 ILE 2 1HG2 ILE 2 55.863 6.356 2.535 688 2HG2 ILE 2 2HG2 ILE 2 57.573 6.685 2.253 689 3HG2 ILE 2 3HG2 ILE 2 56.863 5.168 1.701 690 1HD1 ILE 2 1HD1 ILE 2 58.763 3.715 2.518 691 2HD1 ILE 2 2HD1 ILE 2 59.473 5.244 1.999 692 3HD1 ILE 2 3HD1 ILE 2 60.351 4.197 3.114 693 H SER 3 H SER 3 54.961 7.960 4.324 694 HA SER 3 HA SER 3 52.475 6.942 5.287 695 1HB SER 3 1HB SER 3 53.472 9.267 4.186 696 2HB SER 3 2HB SER 3 52.396 8.693 2.917 697 HG SER 3 HG SER 3 51.369 10.014 4.539 698 H ALA 4 H ALA 4 50.578 6.493 3.709 699 HA ALA 4 HA ALA 4 51.519 4.624 1.557 700 1HB ALA 4 1HB ALA 4 50.418 3.680 3.629 701 2HB ALA 4 2HB ALA 4 48.956 4.560 3.180 702 3HB ALA 4 3HB ALA 4 49.576 3.287 2.128 703 H ASP 5 H ASP 5 48.943 6.914 2.497 704 HA ASP 5 HA ASP 5 47.648 6.910 -0.097 705 1HB ASP 5 1HB ASP 5 46.960 7.655 2.387 706 2HB ASP 5 2HB ASP 5 47.488 9.227 1.784 707 H ALA 6 H ALA 6 50.080 8.994 1.472 708 HA ALA 6 HA ALA 6 50.198 10.872 -0.765 709 1HB ALA 6 1HB ALA 6 50.688 11.280 1.714 710 2HB ALA 6 2HB ALA 6 52.207 10.423 1.454 711 3HB ALA 6 3HB ALA 6 51.880 11.921 0.584 712 H MET 7 H MET 7 52.529 8.497 0.576 713 HA MET 7 HA MET 7 54.567 8.630 -1.290 714 1HB MET 7 1HB MET 7 54.345 7.160 0.748 715 2HB MET 7 2HB MET 7 53.330 6.079 -0.209 716 1HG MET 7 1HG MET 7 55.944 6.858 -1.401 717 2HG MET 7 2HG MET 7 55.999 5.759 -0.022 718 1HE MET 7 1HE MET 7 56.675 5.949 -2.978 719 2HE MET 7 2HE MET 7 56.720 4.221 -3.355 720 3HE MET 7 3HE MET 7 55.549 5.269 -4.150 721 H MET 8 H MET 8 51.404 7.064 -1.714 722 HA MET 8 HA MET 8 52.128 6.001 -4.363 723 1HB MET 8 1HB MET 8 49.747 6.007 -2.528 724 2HB MET 8 2HB MET 8 49.551 5.503 -4.207 725 1HG MET 8 1HG MET 8 51.621 4.343 -2.322 726 2HG MET 8 2HG MET 8 50.055 3.600 -2.647 727 1HE MET 8 1HE MET 8 53.445 4.754 -3.965 728 2HE MET 8 2HE MET 8 53.517 3.120 -3.291 729 3HE MET 8 3HE MET 8 53.861 3.390 -4.998 730 H GLN 9 H GLN 9 49.661 8.327 -3.175 731 HA GLN 9 HA GLN 9 48.884 9.264 -5.759 732 1HB GLN 9 1HB GLN 9 47.746 10.969 -4.494 733 2HB GLN 9 2HB GLN 9 47.721 9.504 -3.512 734 1HG GLN 9 1HG GLN 9 48.466 10.993 -1.917 735 2HG GLN 9 2HG GLN 9 50.019 10.526 -2.607 736 1HE2 GLN 9 2HE2 GLN 9 47.436 12.788 -3.733 737 2HE2 GLN 9 1HE2 GLN 9 48.483 14.108 -3.941 738 H ALA 10 H ALA 10 51.538 10.198 -3.628 739 HA ALA 10 HA ALA 10 52.176 12.617 -5.175 740 1HB ALA 10 1HB ALA 10 52.564 11.740 -2.606 741 2HB ALA 10 2HB ALA 10 54.153 11.455 -3.313 742 3HB ALA 10 3HB ALA 10 53.454 13.071 -3.339 743 H LEU 11 H LEU 11 52.749 9.293 -5.544 744 HA LEU 11 HA LEU 11 55.115 9.853 -7.304 745 1HB LEU 11 1HB LEU 11 55.137 8.498 -4.954 746 2HB LEU 11 2HB LEU 11 54.777 7.186 -6.056 747 HG LEU 11 HG LEU 11 56.736 7.923 -7.463 748 1HD1 LEU 11 1HD1 LEU 11 56.782 10.258 -6.560 749 2HD1 LEU 11 2HD1 LEU 11 57.370 9.615 -5.028 750 3HD1 LEU 11 3HD1 LEU 11 58.352 9.457 -6.483 751 1HD2 LEU 11 1HD2 LEU 11 56.681 6.246 -5.353 752 2HD2 LEU 11 2HD2 LEU 11 58.160 6.574 -6.254 753 3HD2 LEU 11 3HD2 LEU 11 57.844 7.421 -4.740 754 H LEU 12 H LEU 12 55.398 7.917 -8.887 755 HA LEU 12 HA LEU 12 54.464 6.902 -10.815 756 1HB LEU 12 1HB LEU 12 52.778 5.871 -8.511 757 2HB LEU 12 2HB LEU 12 52.893 5.097 -10.093 758 HG LEU 12 HG LEU 12 55.483 5.204 -9.641 759 1HD1 LEU 12 1HD1 LEU 12 54.235 5.594 -6.921 760 2HD1 LEU 12 2HD1 LEU 12 55.789 4.783 -7.096 761 3HD1 LEU 12 3HD1 LEU 12 55.600 6.450 -7.636 762 1HD2 LEU 12 1HD2 LEU 12 53.380 3.299 -8.842 763 2HD2 LEU 12 2HD2 LEU 12 54.861 3.019 -9.758 764 3HD2 LEU 12 3HD2 LEU 12 54.911 3.074 -7.996 765 H GLY 13 H GLY 13 53.380 9.556 -10.332 766 1HA GLY 13 1HA GLY 13 50.574 9.750 -10.332 767 2HA GLY 13 2HA GLY 13 51.630 10.869 -11.199 768 H ALA 14 H ALA 14 52.736 8.591 -12.814 769 HA ALA 14 HA ALA 14 52.292 7.600 -14.910 770 1HB ALA 14 1HB ALA 14 50.271 6.920 -13.025 771 2HB ALA 14 2HB ALA 14 49.467 7.187 -14.572 772 3HB ALA 14 3HB ALA 14 50.768 6.003 -14.447 773 H ARG 15 H ARG 15 52.173 10.453 -14.855 774 HA ARG 15 HA ARG 15 49.884 11.713 -15.863 775 1HB ARG 15 1HB ARG 15 52.851 12.016 -16.220 776 2HB ARG 15 2HB ARG 15 51.771 13.039 -17.170 777 1HG ARG 15 1HG ARG 15 50.695 13.861 -15.144 778 2HG ARG 15 2HG ARG 15 51.654 12.761 -14.153 779 1HD ARG 15 1HD ARG 15 53.410 14.198 -14.133 780 2HD ARG 15 2HD ARG 15 53.339 14.402 -15.895 781 HE ARG 15 HE ARG 15 51.097 15.721 -14.669 782 1HH1 ARG 15 1HH1 ARG 15 52.733 16.941 -16.842 783 2HH1 ARG 15 2HH1 ARG 15 53.548 18.227 -16.017 784 1HH2 ARG 15 1HH2 ARG 15 52.907 16.961 -12.854 785 2HH2 ARG 15 2HH2 ARG 15 53.648 18.237 -13.760 786 H ALA 16 H ALA 16 49.319 12.256 -18.128 787 HA ALA 16 HA ALA 16 49.094 9.994 -19.842 788 1HB ALA 16 1HB ALA 16 47.966 12.437 -19.648 789 2HB ALA 16 2HB ALA 16 49.078 12.750 -20.982 790 3HB ALA 16 3HB ALA 16 47.870 11.472 -21.121 791 H LYS 17 H LYS 17 50.945 8.998 -20.622 792 HA LYS 17 HA LYS 17 52.987 10.751 -21.956 793 1HB LYS 17 1HB LYS 17 53.261 9.097 -19.749 794 2HB LYS 17 2HB LYS 17 53.831 8.079 -21.072 795 1HG LYS 17 1HG LYS 17 55.769 9.216 -21.122 796 2HG LYS 17 2HG LYS 17 54.887 10.706 -21.463 797 1HD LYS 17 1HD LYS 17 55.098 11.446 -19.333 798 2HD LYS 17 2HD LYS 17 54.689 9.869 -18.659 799 1HE LYS 17 1HE LYS 17 57.032 9.102 -19.283 800 2HE LYS 17 2HE LYS 17 57.402 10.800 -19.643 801 1HZ LYS 17 1HZ LYS 17 55.987 10.431 -17.164 802 2HZ LYS 17 2HZ LYS 17 57.508 9.677 -17.174 803 3HZ LYS 17 3HZ LYS 17 57.381 11.341 -17.486 Start of MODEL 33 1 1H MET 1 1H MET 1 59.285 -8.780 21.172 2 2H MET 1 2H MET 1 58.455 -7.311 21.364 3 3H MET 1 3H MET 1 57.709 -8.774 21.797 4 HA MET 1 HA MET 1 56.781 -8.118 19.713 5 1HB MET 1 1HB MET 1 59.535 -7.208 19.453 6 2HB MET 1 2HB MET 1 59.007 -8.062 18.004 7 1HG MET 1 1HG MET 1 56.920 -6.630 18.034 8 2HG MET 1 2HG MET 1 57.674 -5.681 19.315 9 1HE MET 1 1HE MET 1 57.981 -3.787 18.826 10 2HE MET 1 2HE MET 1 59.702 -3.573 18.510 11 3HE MET 1 3HE MET 1 58.504 -2.991 17.344 12 H ASP 2 H ASP 2 55.945 -10.118 19.235 13 HA ASP 2 HA ASP 2 57.768 -12.443 18.913 14 1HB ASP 2 1HB ASP 2 55.452 -12.147 20.227 15 2HB ASP 2 2HB ASP 2 54.793 -12.586 18.650 16 H ASP 3 H ASP 3 55.668 -13.724 17.167 17 HA ASP 3 HA ASP 3 56.774 -12.862 14.592 18 1HB ASP 3 1HB ASP 3 55.734 -15.188 15.744 19 2HB ASP 3 2HB ASP 3 54.527 -14.726 14.543 20 H ILE 4 H ILE 4 55.906 -10.741 14.243 21 HA ILE 4 HA ILE 4 52.946 -10.681 13.755 22 HB ILE 4 HB ILE 4 54.814 -8.631 14.977 23 1HG1 ILE 4 1HG1 ILE 4 52.226 -9.562 16.163 24 2HG1 ILE 4 2HG1 ILE 4 53.618 -10.642 16.244 25 1HG2 ILE 4 1HG2 ILE 4 52.483 -8.196 13.381 26 2HG2 ILE 4 2HG2 ILE 4 52.076 -7.816 15.054 27 3HG2 ILE 4 3HG2 ILE 4 53.431 -7.005 14.271 28 1HD1 ILE 4 1HD1 ILE 4 54.365 -7.921 16.936 29 2HD1 ILE 4 2HD1 ILE 4 53.066 -8.508 17.974 30 3HD1 ILE 4 3HD1 ILE 4 54.580 -9.406 17.864 31 H TYR 5 H TYR 5 56.168 -9.614 12.772 32 HA TYR 5 HA TYR 5 55.101 -8.169 10.418 33 1HB TYR 5 1HB TYR 5 57.903 -8.731 11.446 34 2HB TYR 5 2HB TYR 5 57.517 -7.649 10.106 35 HD1 TYR 5 HD1 TYR 5 57.140 -8.187 13.756 36 HD2 TYR 5 HD2 TYR 5 56.596 -5.460 10.482 37 HE1 TYR 5 HE1 TYR 5 56.711 -6.345 15.360 38 HE2 TYR 5 HE2 TYR 5 56.167 -3.619 12.086 39 HH TYR 5 HH TYR 5 55.237 -3.846 14.937 40 H LYS 6 H LYS 6 57.604 -10.707 10.867 41 HA LYS 6 HA LYS 6 57.893 -11.596 8.258 42 1HB LYS 6 1HB LYS 6 57.815 -13.018 10.923 43 2HB LYS 6 2HB LYS 6 58.222 -13.882 9.440 44 1HG LYS 6 1HG LYS 6 60.127 -12.497 9.039 45 2HG LYS 6 2HG LYS 6 59.627 -11.336 10.269 46 1HD LYS 6 1HD LYS 6 59.893 -14.064 11.310 47 2HD LYS 6 2HD LYS 6 61.404 -13.419 10.669 48 1HE LYS 6 1HE LYS 6 59.740 -11.651 12.437 49 2HE LYS 6 2HE LYS 6 60.733 -12.921 13.182 50 1HZ LYS 6 1HZ LYS 6 61.699 -10.923 11.203 51 2HZ LYS 6 2HZ LYS 6 62.001 -10.868 12.873 52 3HZ LYS 6 3HZ LYS 6 62.639 -12.133 11.939 53 H ALA 7 H ALA 7 55.220 -12.319 10.479 54 HA ALA 7 HA ALA 7 53.946 -14.345 8.898 55 1HB ALA 7 1HB ALA 7 53.558 -13.756 11.316 56 2HB ALA 7 2HB ALA 7 52.715 -12.303 10.775 57 3HB ALA 7 3HB ALA 7 52.070 -13.897 10.381 58 H ALA 8 H ALA 8 52.938 -10.921 9.307 59 HA ALA 8 HA ALA 8 51.007 -10.739 7.323 60 1HB ALA 8 1HB ALA 8 52.615 -9.025 8.894 61 2HB ALA 8 2HB ALA 8 52.771 -8.444 7.235 62 3HB ALA 8 3HB ALA 8 51.176 -8.580 7.975 63 H VAL 9 H VAL 9 54.491 -10.988 6.899 64 HA VAL 9 HA VAL 9 54.535 -10.200 4.103 65 HB VAL 9 HB VAL 9 56.468 -11.914 5.694 66 1HG1 VAL 9 1HG1 VAL 9 56.740 -10.153 3.244 67 2HG1 VAL 9 2HG1 VAL 9 58.118 -10.790 4.141 68 3HG1 VAL 9 3HG1 VAL 9 57.000 -11.894 3.340 69 1HG2 VAL 9 1HG2 VAL 9 55.617 -9.442 6.471 70 2HG2 VAL 9 2HG2 VAL 9 57.243 -10.053 6.775 71 3HG2 VAL 9 3HG2 VAL 9 56.939 -9.002 5.391 72 H GLU 10 H GLU 10 55.014 -13.402 5.656 73 HA GLU 10 HA GLU 10 54.925 -14.995 3.340 74 1HB GLU 10 1HB GLU 10 54.667 -15.252 6.221 75 2HB GLU 10 2HB GLU 10 53.618 -16.406 5.397 76 1HG GLU 10 1HG GLU 10 55.400 -17.691 4.930 77 2HG GLU 10 2HG GLU 10 56.114 -16.362 4.014 78 H GLN 11 H GLN 11 52.348 -13.277 4.924 79 HA GLN 11 HA GLN 11 50.171 -14.868 3.790 80 1HB GLN 11 1HB GLN 11 50.588 -12.845 5.745 81 2HB GLN 11 2HB GLN 11 49.429 -12.202 4.582 82 1HG GLN 11 1HG GLN 11 47.807 -13.533 5.390 83 2HG GLN 11 2HG GLN 11 48.810 -14.963 5.144 84 1HE2 GLN 11 2HE2 GLN 11 50.178 -15.670 6.956 85 2HE2 GLN 11 1HE2 GLN 11 49.886 -15.119 8.536 86 H LEU 12 H LEU 12 52.136 -12.179 2.767 87 HA LEU 12 HA LEU 12 50.583 -10.738 0.985 88 1HB LEU 12 1HB LEU 12 53.392 -11.852 0.749 89 2HB LEU 12 2HB LEU 12 52.746 -10.645 -0.364 90 HG LEU 12 HG LEU 12 52.693 -10.245 2.630 91 1HD1 LEU 12 1HD1 LEU 12 55.041 -10.603 1.829 92 2HD1 LEU 12 2HD1 LEU 12 54.816 -9.271 0.695 93 3HD1 LEU 12 3HD1 LEU 12 54.756 -8.971 2.432 94 1HD2 LEU 12 1HD2 LEU 12 51.382 -8.910 0.689 95 2HD2 LEU 12 2HD2 LEU 12 51.996 -8.109 2.136 96 3HD2 LEU 12 3HD2 LEU 12 52.918 -8.044 0.634 97 H THR 13 H THR 13 50.575 -10.997 -1.494 98 HA THR 13 HA THR 13 50.174 -13.873 -2.254 99 HB THR 13 HB THR 13 48.438 -12.277 -3.782 100 HG1 THR 13 HG1 THR 13 48.281 -10.570 -2.556 101 1HG2 THR 13 1HG2 THR 13 48.106 -14.067 -1.381 102 2HG2 THR 13 2HG2 THR 13 46.714 -13.311 -2.156 103 3HG2 THR 13 3HG2 THR 13 47.742 -14.415 -3.071 104 H GLU 14 H GLU 14 50.238 -14.144 -4.694 105 HA GLU 14 HA GLU 14 52.640 -13.163 -5.828 106 1HB GLU 14 1HB GLU 14 51.275 -15.174 -6.486 107 2HB GLU 14 2HB GLU 14 50.120 -14.079 -7.248 108 1HG GLU 14 1HG GLU 14 51.445 -14.511 -9.079 109 2HG GLU 14 2HG GLU 14 52.357 -13.160 -8.404 110 H GLU 15 H GLU 15 49.275 -12.145 -6.547 111 HA GLU 15 HA GLU 15 49.971 -10.004 -8.309 112 1HB GLU 15 1HB GLU 15 47.711 -11.278 -7.520 113 2HB GLU 15 2HB GLU 15 47.554 -9.788 -6.590 114 1HG GLU 15 1HG GLU 15 47.977 -8.505 -8.719 115 2HG GLU 15 2HG GLU 15 47.890 -10.038 -9.590 116 H GLN 16 H GLN 16 49.208 -9.997 -4.806 117 HA GLN 16 HA GLN 16 49.470 -7.220 -4.329 118 1HB GLN 16 1HB GLN 16 48.595 -8.635 -2.633 119 2HB GLN 16 2HB GLN 16 49.984 -9.719 -2.711 120 1HG GLN 16 1HG GLN 16 50.152 -8.319 -0.712 121 2HG GLN 16 2HG GLN 16 51.428 -7.881 -1.848 122 1HE2 GLN 16 2HE2 GLN 16 51.592 -5.652 -1.174 123 2HE2 GLN 16 1HE2 GLN 16 50.338 -4.535 -1.425 124 H LYS 17 H LYS 17 51.971 -9.778 -4.266 125 HA LYS 17 HA LYS 17 54.170 -8.144 -3.494 126 1HB LYS 17 1HB LYS 17 54.616 -10.414 -3.420 127 2HB LYS 17 2HB LYS 17 53.683 -10.747 -4.877 128 1HG LYS 17 1HG LYS 17 56.239 -9.175 -5.074 129 2HG LYS 17 2HG LYS 17 56.299 -10.934 -4.959 130 1HD LYS 17 1HD LYS 17 54.266 -10.238 -6.845 131 2HD LYS 17 2HD LYS 17 55.729 -9.342 -7.260 132 1HE LYS 17 1HE LYS 17 56.069 -11.384 -8.385 133 2HE LYS 17 2HE LYS 17 56.916 -11.673 -6.852 134 1HZ LYS 17 1HZ LYS 17 54.036 -12.262 -7.243 135 2HZ LYS 17 2HZ LYS 17 55.251 -13.423 -7.494 136 3HZ LYS 17 3HZ LYS 17 55.030 -12.748 -5.955 137 H ASN 18 H ASN 18 52.783 -8.858 -6.699 138 HA ASN 18 HA ASN 18 54.754 -7.493 -8.270 139 1HB ASN 18 1HB ASN 18 51.947 -8.470 -8.534 140 2HB ASN 18 2HB ASN 18 52.499 -7.305 -9.739 141 1HD2 ASN 18 2HD2 ASN 18 53.108 -10.549 -8.414 142 2HD2 ASN 18 1HD2 ASN 18 54.077 -11.079 -9.703 143 H GLU 19 H GLU 19 52.123 -6.368 -6.284 144 HA GLU 19 HA GLU 19 51.767 -3.766 -7.505 145 1HB GLU 19 1HB GLU 19 50.596 -5.360 -5.530 146 2HB GLU 19 2HB GLU 19 51.225 -3.972 -4.641 147 1HG GLU 19 1HG GLU 19 50.141 -2.655 -6.706 148 2HG GLU 19 2HG GLU 19 49.102 -4.081 -6.733 149 H PHE 20 H PHE 20 53.345 -4.707 -4.420 150 HA PHE 20 HA PHE 20 54.588 -2.164 -3.994 151 1HB PHE 20 1HB PHE 20 55.069 -3.198 -2.035 152 2HB PHE 20 2HB PHE 20 54.218 -4.598 -2.675 153 HD1 PHE 20 HD1 PHE 20 57.591 -2.976 -2.601 154 HD2 PHE 20 HD2 PHE 20 55.363 -6.626 -3.005 155 HE1 PHE 20 HE1 PHE 20 59.704 -4.272 -2.547 156 HE2 PHE 20 HE2 PHE 20 57.477 -7.921 -2.947 157 HZ PHE 20 HZ PHE 20 59.646 -6.744 -2.716 158 H LYS 21 H LYS 21 55.589 -5.035 -5.800 159 HA LYS 21 HA LYS 21 58.322 -4.672 -6.162 160 1HB LYS 21 1HB LYS 21 56.079 -5.891 -7.509 161 2HB LYS 21 2HB LYS 21 57.182 -5.210 -8.706 162 1HG LYS 21 1HG LYS 21 58.675 -6.516 -6.606 163 2HG LYS 21 2HG LYS 21 57.493 -7.630 -7.293 164 1HD LYS 21 1HD LYS 21 59.292 -5.937 -9.032 165 2HD LYS 21 2HD LYS 21 59.783 -7.528 -8.452 166 1HE LYS 21 1HE LYS 21 57.629 -8.446 -9.448 167 2HE LYS 21 2HE LYS 21 57.420 -6.867 -10.233 168 1HZ LYS 21 1HZ LYS 21 59.667 -7.085 -11.142 169 2HZ LYS 21 2HZ LYS 21 59.803 -8.630 -10.456 170 3HZ LYS 21 3HZ LYS 21 58.657 -8.342 -11.678 171 H ALA 22 H ALA 22 55.670 -2.843 -7.661 172 HA ALA 22 HA ALA 22 57.054 -1.374 -9.616 173 1HB ALA 22 1HB ALA 22 54.630 -1.153 -7.970 174 2HB ALA 22 2HB ALA 22 55.258 0.411 -8.490 175 3HB ALA 22 3HB ALA 22 54.849 -0.818 -9.687 176 H ALA 23 H ALA 23 56.309 -0.089 -6.349 177 HA ALA 23 HA ALA 23 58.093 2.100 -6.424 178 1HB ALA 23 1HB ALA 23 56.969 0.349 -4.230 179 2HB ALA 23 2HB ALA 23 57.980 1.747 -3.861 180 3HB ALA 23 3HB ALA 23 56.450 1.965 -4.710 181 H PHE 24 H PHE 24 58.655 -1.244 -5.305 182 HA PHE 24 HA PHE 24 61.221 -1.083 -4.243 183 1HB PHE 24 1HB PHE 24 60.188 -3.185 -4.226 184 2HB PHE 24 2HB PHE 24 59.721 -3.079 -5.921 185 HD1 PHE 24 HD1 PHE 24 63.044 -2.542 -4.282 186 HD2 PHE 24 HD2 PHE 24 60.714 -4.915 -6.999 187 HE1 PHE 24 HE1 PHE 24 65.081 -3.801 -4.927 188 HE2 PHE 24 HE2 PHE 24 62.750 -6.176 -7.645 189 HZ PHE 24 HZ PHE 24 64.934 -5.619 -6.609 190 H ASP 25 H ASP 25 60.331 -1.218 -7.700 191 HA ASP 25 HA ASP 25 63.048 -1.194 -8.689 192 1HB ASP 25 1HB ASP 25 60.978 -1.967 -9.886 193 2HB ASP 25 2HB ASP 25 60.465 -0.283 -9.996 194 H ILE 26 H ILE 26 60.543 1.376 -8.719 195 HA ILE 26 HA ILE 26 62.179 3.517 -9.549 196 HB ILE 26 HB ILE 26 59.742 3.266 -7.782 197 1HG1 ILE 26 1HG1 ILE 26 58.955 4.606 -9.972 198 2HG1 ILE 26 2HG1 ILE 26 60.346 3.766 -10.660 199 1HG2 ILE 26 1HG2 ILE 26 61.216 5.757 -8.656 200 2HG2 ILE 26 2HG2 ILE 26 59.506 5.779 -8.221 201 3HG2 ILE 26 3HG2 ILE 26 60.714 5.308 -7.025 202 1HD1 ILE 26 1HD1 ILE 26 58.516 2.141 -8.970 203 2HD1 ILE 26 2HD1 ILE 26 57.897 2.647 -10.541 204 3HD1 ILE 26 3HD1 ILE 26 59.379 1.697 -10.442 205 H PHE 27 H PHE 27 62.003 1.919 -6.442 206 HA PHE 27 HA PHE 27 63.228 4.065 -4.903 207 1HB PHE 27 1HB PHE 27 62.134 1.397 -4.557 208 2HB PHE 27 2HB PHE 27 63.627 1.585 -3.637 209 HD1 PHE 27 HD1 PHE 27 60.727 3.814 -4.511 210 HD2 PHE 27 HD2 PHE 27 63.267 2.223 -1.431 211 HE1 PHE 27 HE1 PHE 27 59.521 5.165 -2.817 212 HE2 PHE 27 HE2 PHE 27 62.060 3.575 0.262 213 HZ PHE 27 HZ PHE 27 60.187 5.046 -0.432 214 H VAL 28 H VAL 28 64.418 1.392 -6.847 215 HA VAL 28 HA VAL 28 67.216 2.049 -5.981 216 HB VAL 28 HB VAL 28 67.693 -0.291 -6.532 217 1HG1 VAL 28 1HG1 VAL 28 65.190 0.081 -4.860 218 2HG1 VAL 28 2HG1 VAL 28 66.167 -1.387 -4.875 219 3HG1 VAL 28 3HG1 VAL 28 66.857 0.125 -4.284 220 1HG2 VAL 28 1HG2 VAL 28 65.884 -0.238 -8.403 221 2HG2 VAL 28 2HG2 VAL 28 66.117 -1.744 -7.517 222 3HG2 VAL 28 3HG2 VAL 28 64.762 -0.688 -7.121 223 H LEU 29 H LEU 29 65.128 2.716 -8.405 224 HA LEU 29 HA LEU 29 66.173 1.954 -10.861 225 1HB LEU 29 1HB LEU 29 64.577 4.070 -9.738 226 2HB LEU 29 2HB LEU 29 65.626 4.739 -10.989 227 HG LEU 29 HG LEU 29 63.758 2.370 -11.298 228 1HD1 LEU 29 1HD1 LEU 29 63.705 5.246 -12.199 229 2HD1 LEU 29 2HD1 LEU 29 62.839 4.003 -13.102 230 3HD1 LEU 29 3HD1 LEU 29 62.431 4.313 -11.414 231 1HD2 LEU 29 1HD2 LEU 29 66.122 3.215 -12.777 232 2HD2 LEU 29 2HD2 LEU 29 65.159 1.748 -12.959 233 3HD2 LEU 29 3HD2 LEU 29 64.685 3.225 -13.800 234 H GLY 30 H GLY 30 67.605 4.186 -8.538 235 1HA GLY 30 1HA GLY 30 69.741 4.871 -10.497 236 2HA GLY 30 2HA GLY 30 69.446 5.719 -8.980 237 H ALA 31 H ALA 31 69.117 2.632 -8.076 238 HA ALA 31 HA ALA 31 71.701 2.507 -6.774 239 1HB ALA 31 1HB ALA 31 69.175 1.406 -6.492 240 2HB ALA 31 2HB ALA 31 70.146 0.025 -7.003 241 3HB ALA 31 3HB ALA 31 70.595 0.935 -5.560 242 H GLU 32 H GLU 32 73.572 1.600 -7.560 243 HA GLU 32 HA GLU 32 73.571 0.402 -10.251 244 1HB GLU 32 1HB GLU 32 76.021 0.522 -9.919 245 2HB GLU 32 2HB GLU 32 75.255 2.054 -9.499 246 1HG GLU 32 1HG GLU 32 76.113 1.918 -7.426 247 2HG GLU 32 2HG GLU 32 75.243 0.406 -7.167 248 H ASP 33 H ASP 33 72.891 -0.826 -7.266 249 HA ASP 33 HA ASP 33 74.158 -3.473 -7.902 250 1HB ASP 33 1HB ASP 33 74.042 -1.780 -5.519 251 2HB ASP 33 2HB ASP 33 73.499 -3.427 -5.194 252 H GLY 34 H GLY 34 71.230 -1.732 -7.375 253 1HA GLY 34 1HA GLY 34 69.084 -2.689 -7.990 254 2HA GLY 34 2HA GLY 34 69.712 -4.283 -7.573 255 H CYS 35 H CYS 35 70.652 -2.018 -5.266 256 HA CYS 35 HA CYS 35 68.401 -2.857 -3.469 257 1HB CYS 35 1HB CYS 35 70.108 -2.654 -1.681 258 2HB CYS 35 2HB CYS 35 70.637 -3.769 -2.940 259 HG CYS 35 HG CYS 35 71.709 -1.143 -3.736 260 H ILE 36 H ILE 36 68.209 -1.177 -1.564 261 HA ILE 36 HA ILE 36 68.017 1.529 -2.807 262 HB ILE 36 HB ILE 36 66.856 0.461 -0.214 263 1HG1 ILE 36 1HG1 ILE 36 65.438 0.644 -2.881 264 2HG1 ILE 36 2HG1 ILE 36 66.236 -0.834 -2.343 265 1HG2 ILE 36 1HG2 ILE 36 66.890 3.034 -1.462 266 2HG2 ILE 36 2HG2 ILE 36 65.245 2.408 -1.553 267 3HG2 ILE 36 3HG2 ILE 36 66.049 2.549 0.009 268 1HD1 ILE 36 1HD1 ILE 36 64.651 0.170 -0.181 269 2HD1 ILE 36 2HD1 ILE 36 63.644 0.116 -1.629 270 3HD1 ILE 36 3HD1 ILE 36 64.458 -1.344 -1.064 271 H SER 37 H SER 37 68.698 3.391 -1.526 272 HA SER 37 HA SER 37 70.422 2.956 0.833 273 1HB SER 37 1HB SER 37 71.338 3.549 -1.951 274 2HB SER 37 2HB SER 37 72.217 4.273 -0.610 275 HG SER 37 HG SER 37 73.130 2.402 -0.380 276 H THR 38 H THR 38 67.985 4.450 0.108 277 HA THR 38 HA THR 38 67.042 6.549 0.664 278 HB THR 38 HB THR 38 68.239 7.872 2.158 279 HG1 THR 38 HG1 THR 38 69.852 8.737 1.106 280 1HG2 THR 38 1HG2 THR 38 68.628 5.167 2.442 281 2HG2 THR 38 2HG2 THR 38 70.278 5.784 2.525 282 3HG2 THR 38 3HG2 THR 38 69.057 6.378 3.651 283 H LYS 39 H LYS 39 70.314 7.039 -0.750 284 HA LYS 39 HA LYS 39 69.849 9.330 -2.267 285 1HB LYS 39 1HB LYS 39 71.311 6.818 -3.154 286 2HB LYS 39 2HB LYS 39 71.648 8.469 -3.678 287 1HG LYS 39 1HG LYS 39 71.900 8.892 -1.074 288 2HG LYS 39 2HG LYS 39 72.230 7.159 -1.050 289 1HD LYS 39 1HD LYS 39 74.360 8.131 -1.350 290 2HD LYS 39 2HD LYS 39 73.884 7.654 -2.980 291 1HE LYS 39 1HE LYS 39 72.892 10.066 -3.151 292 2HE LYS 39 2HE LYS 39 73.953 10.418 -1.774 293 1HZ LYS 39 1HZ LYS 39 75.526 8.925 -3.393 294 2HZ LYS 39 2HZ LYS 39 74.643 9.849 -4.513 295 3HZ LYS 39 3HZ LYS 39 75.555 10.619 -3.305 296 H GLU 40 H GLU 40 68.840 5.998 -2.918 297 HA GLU 40 HA GLU 40 67.562 6.784 -5.484 298 1HB GLU 40 1HB GLU 40 67.532 4.101 -4.083 299 2HB GLU 40 2HB GLU 40 67.373 4.424 -5.810 300 1HG GLU 40 1HG GLU 40 69.860 4.908 -4.148 301 2HG GLU 40 2HG GLU 40 69.625 3.577 -5.281 302 H LEU 41 H LEU 41 66.793 5.717 -2.210 303 HA LEU 41 HA LEU 41 63.937 5.474 -2.596 304 1HB LEU 41 1HB LEU 41 64.537 4.320 -0.724 305 2HB LEU 41 2HB LEU 41 65.993 5.281 -0.501 306 HG LEU 41 HG LEU 41 64.716 7.048 0.588 307 1HD1 LEU 41 1HD1 LEU 41 62.595 6.096 -0.883 308 2HD1 LEU 41 2HD1 LEU 41 62.198 5.532 0.741 309 3HD1 LEU 41 3HD1 LEU 41 62.462 7.251 0.444 310 1HD2 LEU 41 1HD2 LEU 41 65.262 4.606 1.670 311 2HD2 LEU 41 2HD2 LEU 41 64.587 5.952 2.590 312 3HD2 LEU 41 3HD2 LEU 41 63.523 4.700 1.949 313 H GLY 42 H GLY 42 65.885 7.947 -0.858 314 1HA GLY 42 1HA GLY 42 63.867 9.779 -0.287 315 2HA GLY 42 2HA GLY 42 65.520 10.265 -0.660 316 H LYS 43 H LYS 43 65.638 9.413 -3.357 317 HA LYS 43 HA LYS 43 64.752 11.606 -4.814 318 1HB LYS 43 1HB LYS 43 65.630 8.864 -5.297 319 2HB LYS 43 2HB LYS 43 64.534 9.433 -6.556 320 1HG LYS 43 1HG LYS 43 66.306 11.576 -5.967 321 2HG LYS 43 2HG LYS 43 67.291 10.124 -6.151 322 1HD LYS 43 1HD LYS 43 65.112 10.632 -8.138 323 2HD LYS 43 2HD LYS 43 66.603 11.567 -8.263 324 1HE LYS 43 1HE LYS 43 67.724 9.789 -9.114 325 2HE LYS 43 2HE LYS 43 67.157 8.738 -7.801 326 1HZ LYS 43 1HZ LYS 43 65.143 9.587 -9.714 327 2HZ LYS 43 2HZ LYS 43 66.307 8.506 -10.315 328 3HZ LYS 43 3HZ LYS 43 65.361 8.078 -8.969 329 H VAL 44 H VAL 44 62.846 8.819 -3.791 330 HA VAL 44 HA VAL 44 60.576 9.469 -5.530 331 HB VAL 44 HB VAL 44 61.096 7.565 -3.236 332 1HG1 VAL 44 1HG1 VAL 44 58.573 8.535 -4.187 333 2HG1 VAL 44 2HG1 VAL 44 58.749 6.853 -4.687 334 3HG1 VAL 44 3HG1 VAL 44 58.880 7.284 -2.982 335 1HG2 VAL 44 1HG2 VAL 44 62.053 7.287 -5.642 336 2HG2 VAL 44 2HG2 VAL 44 61.238 5.907 -4.907 337 3HG2 VAL 44 3HG2 VAL 44 60.391 6.902 -6.092 338 H MET 45 H MET 45 61.638 10.272 -2.284 339 HA MET 45 HA MET 45 59.156 11.004 -1.099 340 1HB MET 45 1HB MET 45 61.925 12.209 -0.781 341 2HB MET 45 2HB MET 45 60.611 12.326 0.390 342 1HG MET 45 1HG MET 45 62.029 9.807 -0.510 343 2HG MET 45 2HG MET 45 62.072 10.532 1.096 344 1HE MET 45 1HE MET 45 60.753 8.288 -1.284 345 2HE MET 45 2HE MET 45 59.208 7.649 -0.725 346 3HE MET 45 3HE MET 45 59.271 9.187 -1.598 347 H ARG 46 H ARG 46 61.444 12.951 -3.043 348 HA ARG 46 HA ARG 46 60.023 15.426 -2.882 349 1HB ARG 46 1HB ARG 46 61.418 15.990 -4.835 350 2HB ARG 46 2HB ARG 46 62.365 15.092 -3.648 351 1HG ARG 46 1HG ARG 46 62.671 13.346 -5.055 352 2HG ARG 46 2HG ARG 46 60.980 13.351 -5.557 353 1HD ARG 46 1HD ARG 46 61.762 14.145 -7.549 354 2HD ARG 46 2HD ARG 46 61.983 15.685 -6.696 355 HE ARG 46 HE ARG 46 64.304 14.956 -6.171 356 1HH1 ARG 46 1HH1 ARG 46 62.681 12.475 -7.800 357 2HH1 ARG 46 2HH1 ARG 46 63.988 12.101 -8.873 358 1HH2 ARG 46 1HH2 ARG 46 65.934 14.790 -7.869 359 2HH2 ARG 46 2HH2 ARG 46 65.829 13.412 -8.913 360 H MET 47 H MET 47 59.363 12.509 -4.643 361 HA MET 47 HA MET 47 57.688 13.798 -6.690 362 1HB MET 47 1HB MET 47 58.737 11.128 -5.978 363 2HB MET 47 2HB MET 47 57.148 11.110 -6.743 364 1HG MET 47 1HG MET 47 57.956 11.857 -8.745 365 2HG MET 47 2HG MET 47 59.138 12.921 -7.984 366 1HE MET 47 1HE MET 47 57.938 9.509 -7.972 367 2HE MET 47 2HE MET 47 58.821 8.943 -9.388 368 3HE MET 47 3HE MET 47 59.340 8.448 -7.779 369 H LEU 48 H LEU 48 57.223 12.133 -3.596 370 HA LEU 48 HA LEU 48 54.315 11.966 -3.883 371 1HB LEU 48 1HB LEU 48 56.204 11.624 -1.532 372 2HB LEU 48 2HB LEU 48 54.503 11.161 -1.536 373 HG LEU 48 HG LEU 48 55.942 10.095 -3.843 374 1HD1 LEU 48 1HD1 LEU 48 57.737 10.156 -2.022 375 2HD1 LEU 48 2HD1 LEU 48 56.735 9.008 -1.134 376 3HD1 LEU 48 3HD1 LEU 48 57.389 8.571 -2.712 377 1HD2 LEU 48 1HD2 LEU 48 53.977 9.269 -1.780 378 2HD2 LEU 48 2HD2 LEU 48 53.981 8.961 -3.516 379 3HD2 LEU 48 3HD2 LEU 48 54.974 7.974 -2.443 380 H GLY 49 H GLY 49 56.221 14.599 -3.535 381 1HA GLY 49 1HA GLY 49 55.479 16.810 -3.025 382 2HA GLY 49 2HA GLY 49 54.071 16.123 -2.215 383 H GLN 50 H GLN 50 57.081 14.698 -1.388 384 HA GLN 50 HA GLN 50 57.298 16.404 1.061 385 1HB GLN 50 1HB GLN 50 56.948 13.423 0.768 386 2HB GLN 50 2HB GLN 50 57.711 14.099 2.206 387 1HG GLN 50 1HG GLN 50 55.605 15.693 2.201 388 2HG GLN 50 2HG GLN 50 54.886 14.398 1.245 389 1HE2 GLN 50 2HE2 GLN 50 56.740 14.843 4.312 390 2HE2 GLN 50 1HE2 GLN 50 55.941 13.599 5.145 391 H ASN 51 H ASN 51 59.435 15.494 2.284 392 HA ASN 51 HA ASN 51 61.554 14.444 0.609 393 1HB ASN 51 1HB ASN 51 60.855 16.998 -0.003 394 2HB ASN 51 2HB ASN 51 62.065 17.300 1.245 395 1HD2 ASN 51 2HD2 ASN 51 64.053 17.658 0.259 396 2HD2 ASN 51 1HD2 ASN 51 64.656 16.787 -1.067 397 HA PRO 52 HA PRO 52 62.398 14.305 5.099 398 1HB PRO 52 1HB PRO 52 63.521 11.811 5.040 399 2HB PRO 52 2HB PRO 52 61.771 12.080 5.145 400 1HG PRO 52 1HG PRO 52 63.433 11.348 2.790 401 2HG PRO 52 2HG PRO 52 61.807 10.809 3.237 402 1HD PRO 52 1HD PRO 52 62.312 12.706 1.331 403 2HD PRO 52 2HD PRO 52 60.801 12.614 2.264 404 H THR 53 H THR 53 64.585 13.946 6.204 405 HA THR 53 HA THR 53 66.721 15.137 4.550 406 HB THR 53 HB THR 53 67.760 15.521 6.684 407 HG1 THR 53 HG1 THR 53 66.960 14.453 8.541 408 1HG2 THR 53 1HG2 THR 53 65.535 16.704 6.135 409 2HG2 THR 53 2HG2 THR 53 64.818 15.626 7.333 410 3HG2 THR 53 3HG2 THR 53 66.087 16.754 7.810 411 HA PRO 54 HA PRO 54 69.016 11.447 3.924 412 1HB PRO 54 1HB PRO 54 71.592 12.305 4.274 413 2HB PRO 54 2HB PRO 54 70.616 12.734 2.855 414 1HG PRO 54 1HG PRO 54 71.216 14.336 5.292 415 2HG PRO 54 2HG PRO 54 71.115 14.849 3.599 416 1HD PRO 54 1HD PRO 54 69.123 15.262 5.410 417 2HD PRO 54 2HD PRO 54 68.837 15.075 3.666 418 H GLU 55 H GLU 55 69.833 13.292 6.850 419 HA GLU 55 HA GLU 55 71.277 11.283 8.257 420 1HB GLU 55 1HB GLU 55 70.499 13.869 8.651 421 2HB GLU 55 2HB GLU 55 69.432 13.033 9.779 422 1HG GLU 55 1HG GLU 55 71.207 13.128 11.194 423 2HG GLU 55 2HG GLU 55 71.817 11.768 10.251 424 H GLU 56 H GLU 56 67.772 11.950 8.095 425 HA GLU 56 HA GLU 56 67.142 9.682 9.867 426 1HB GLU 56 1HB GLU 56 65.876 12.050 8.741 427 2HB GLU 56 2HB GLU 56 64.828 10.637 8.593 428 1HG GLU 56 1HG GLU 56 64.683 10.329 10.888 429 2HG GLU 56 2HG GLU 56 66.234 11.112 11.196 430 H LEU 57 H LEU 57 67.247 10.382 6.415 431 HA LEU 57 HA LEU 57 65.639 8.422 5.273 432 1HB LEU 57 1HB LEU 57 67.914 10.031 4.597 433 2HB LEU 57 2HB LEU 57 68.173 8.412 3.949 434 HG LEU 57 HG LEU 57 65.699 10.114 3.516 435 1HD1 LEU 57 1HD1 LEU 57 68.235 9.742 2.051 436 2HD1 LEU 57 2HD1 LEU 57 66.787 9.565 1.060 437 3HD1 LEU 57 3HD1 LEU 57 67.064 11.057 1.959 438 1HD2 LEU 57 1HD2 LEU 57 65.509 7.521 3.638 439 2HD2 LEU 57 2HD2 LEU 57 64.829 8.335 2.227 440 3HD2 LEU 57 3HD2 LEU 57 66.396 7.534 2.113 441 H GLN 58 H GLN 58 69.112 7.912 6.038 442 HA GLN 58 HA GLN 58 69.195 5.124 5.651 443 1HB GLN 58 1HB GLN 58 70.948 7.038 6.321 444 2HB GLN 58 2HB GLN 58 70.683 6.365 7.930 445 1HG GLN 58 1HG GLN 58 71.591 4.850 5.466 446 2HG GLN 58 2HG GLN 58 72.552 5.198 6.904 447 1HE2 GLN 58 2HE2 GLN 58 70.381 2.927 5.501 448 2HE2 GLN 58 1HE2 GLN 58 70.123 1.980 6.885 449 H GLU 59 H GLU 59 67.854 6.990 8.299 450 HA GLU 59 HA GLU 59 67.749 4.985 10.326 451 1HB GLU 59 1HB GLU 59 67.046 7.625 10.001 452 2HB GLU 59 2HB GLU 59 65.467 6.845 10.109 453 1HG GLU 59 1HG GLU 59 65.947 7.227 12.360 454 2HG GLU 59 2HG GLU 59 66.548 5.581 12.148 455 H MET 60 H MET 60 65.852 5.455 7.415 456 HA MET 60 HA MET 60 63.645 3.734 8.250 457 1HB MET 60 1HB MET 60 63.001 5.303 6.669 458 2HB MET 60 2HB MET 60 64.565 5.280 5.860 459 1HG MET 60 1HG MET 60 63.937 3.633 4.440 460 2HG MET 60 2HG MET 60 63.097 2.733 5.700 461 1HE MET 60 1HE MET 60 63.123 6.031 3.820 462 2HE MET 60 2HE MET 60 61.436 6.528 3.723 463 3HE MET 60 3HE MET 60 62.281 6.553 5.277 464 H ILE 61 H ILE 61 66.647 3.406 6.390 465 HA ILE 61 HA ILE 61 66.096 0.682 5.504 466 HB ILE 61 HB ILE 61 68.468 2.552 5.579 467 1HG1 ILE 61 1HG1 ILE 61 68.155 1.991 3.019 468 2HG1 ILE 61 2HG1 ILE 61 66.545 1.486 3.532 469 1HG2 ILE 61 1HG2 ILE 61 68.525 -0.336 5.432 470 2HG2 ILE 61 2HG2 ILE 61 69.084 0.362 3.912 471 3HG2 ILE 61 3HG2 ILE 61 69.873 0.800 5.428 472 1HD1 ILE 61 1HD1 ILE 61 67.523 4.107 4.554 473 2HD1 ILE 61 2HD1 ILE 61 67.094 4.025 2.845 474 3HD1 ILE 61 3HD1 ILE 61 65.897 3.623 4.076 475 H ASP 62 H ASP 62 67.740 2.199 8.242 476 HA ASP 62 HA ASP 62 69.045 -0.184 9.230 477 1HB ASP 62 1HB ASP 62 69.574 2.239 9.738 478 2HB ASP 62 2HB ASP 62 68.116 2.284 10.730 479 H GLU 63 H GLU 63 65.800 1.086 9.458 480 HA GLU 63 HA GLU 63 64.992 -0.409 11.815 481 1HB GLU 63 1HB GLU 63 64.018 1.631 10.176 482 2HB GLU 63 2HB GLU 63 62.906 0.292 9.890 483 1HG GLU 63 1HG GLU 63 61.899 0.770 11.844 484 2HG GLU 63 2HG GLU 63 63.391 0.336 12.677 485 H VAL 64 H VAL 64 65.224 -1.104 8.388 486 HA VAL 64 HA VAL 64 64.148 -3.849 8.929 487 HB VAL 64 HB VAL 64 63.104 -3.673 6.645 488 1HG1 VAL 64 1HG1 VAL 64 62.370 -2.015 9.001 489 2HG1 VAL 64 2HG1 VAL 64 61.520 -1.657 7.498 490 3HG1 VAL 64 3HG1 VAL 64 61.452 -3.280 8.186 491 1HG2 VAL 64 1HG2 VAL 64 64.725 -1.317 6.581 492 2HG2 VAL 64 2HG2 VAL 64 63.699 -1.966 5.301 493 3HG2 VAL 64 3HG2 VAL 64 63.037 -0.818 6.466 494 H ASP 65 H ASP 65 66.850 -3.463 9.043 495 HA ASP 65 HA ASP 65 67.784 -4.740 6.514 496 1HB ASP 65 1HB ASP 65 68.277 -2.415 6.200 497 2HB ASP 65 2HB ASP 65 68.848 -2.245 7.860 498 H GLU 66 H GLU 66 67.980 -6.706 7.773 499 HA GLU 66 HA GLU 66 69.685 -6.698 10.184 500 1HB GLU 66 1HB GLU 66 67.575 -8.225 9.099 501 2HB GLU 66 2HB GLU 66 68.980 -9.293 9.100 502 1HG GLU 66 1HG GLU 66 69.382 -8.636 11.498 503 2HG GLU 66 2HG GLU 66 67.845 -7.772 11.462 504 H ASP 67 H ASP 67 70.953 -5.904 7.655 505 HA ASP 67 HA ASP 67 72.885 -8.180 7.336 506 1HB ASP 67 1HB ASP 67 72.046 -6.084 5.306 507 2HB ASP 67 2HB ASP 67 73.070 -7.489 5.003 508 H GLY 68 H GLY 68 72.408 -4.701 7.654 509 1HA GLY 68 1HA GLY 68 73.971 -3.204 8.674 510 2HA GLY 68 2HA GLY 68 75.230 -4.424 8.482 511 H SER 69 H SER 69 73.512 -4.200 5.618 512 HA SER 69 HA SER 69 75.744 -2.831 4.288 513 1HB SER 69 1HB SER 69 74.412 -3.447 2.268 514 2HB SER 69 2HB SER 69 74.667 -4.820 3.341 515 HG SER 69 HG SER 69 72.360 -3.173 3.147 516 H GLY 70 H GLY 70 72.947 -1.789 5.842 517 1HA GLY 70 1HA GLY 70 71.821 0.268 5.861 518 2HA GLY 70 2HA GLY 70 73.233 0.925 5.033 519 H THR 71 H THR 71 71.190 -1.681 3.787 520 HA THR 71 HA THR 71 69.957 0.190 1.828 521 HB THR 71 HB THR 71 70.750 -1.455 0.021 522 HG1 THR 71 HG1 THR 71 72.594 -2.651 0.635 523 1HG2 THR 71 1HG2 THR 71 71.803 0.852 0.872 524 2HG2 THR 71 2HG2 THR 71 73.149 -0.213 1.279 525 3HG2 THR 71 3HG2 THR 71 72.574 -0.114 -0.386 526 H VAL 72 H VAL 72 68.180 -0.873 0.627 527 HA VAL 72 HA VAL 72 67.092 -3.261 2.085 528 HB VAL 72 HB VAL 72 65.819 -0.763 0.948 529 1HG1 VAL 72 1HG1 VAL 72 64.512 -2.796 0.296 530 2HG1 VAL 72 2HG1 VAL 72 64.399 -3.228 2.002 531 3HG1 VAL 72 3HG1 VAL 72 63.639 -1.748 1.415 532 1HG2 VAL 72 1HG2 VAL 72 66.153 -2.020 3.662 533 2HG2 VAL 72 2HG2 VAL 72 66.462 -0.357 3.166 534 3HG2 VAL 72 3HG2 VAL 72 64.804 -0.925 3.362 535 H ASP 73 H ASP 73 66.206 -4.910 0.795 536 HA ASP 73 HA ASP 73 66.580 -4.597 -2.164 537 1HB ASP 73 1HB ASP 73 66.812 -7.159 -1.973 538 2HB ASP 73 2HB ASP 73 68.127 -6.191 -1.309 539 H PHE 74 H PHE 74 65.141 -6.431 -3.286 540 HA PHE 74 HA PHE 74 62.423 -5.724 -3.076 541 1HB PHE 74 1HB PHE 74 63.258 -6.844 -5.013 542 2HB PHE 74 2HB PHE 74 63.883 -8.186 -4.054 543 HD1 PHE 74 HD1 PHE 74 60.675 -6.430 -4.872 544 HD2 PHE 74 HD2 PHE 74 62.587 -10.119 -3.786 545 HE1 PHE 74 HE1 PHE 74 58.517 -7.626 -5.136 546 HE2 PHE 74 HE2 PHE 74 60.431 -11.316 -4.052 547 HZ PHE 74 HZ PHE 74 58.397 -10.069 -4.727 548 H ASP 75 H ASP 75 64.297 -7.778 -1.015 549 HA ASP 75 HA ASP 75 61.941 -9.219 0.050 550 1HB ASP 75 1HB ASP 75 64.410 -10.025 -0.363 551 2HB ASP 75 2HB ASP 75 64.723 -9.256 1.193 552 H GLU 76 H GLU 76 64.552 -7.239 1.522 553 HA GLU 76 HA GLU 76 63.285 -6.809 4.021 554 1HB GLU 76 1HB GLU 76 65.250 -5.191 2.376 555 2HB GLU 76 2HB GLU 76 64.858 -4.809 4.052 556 1HG GLU 76 1HG GLU 76 65.590 -7.056 4.746 557 2HG GLU 76 2HG GLU 76 65.971 -7.454 3.070 558 H PHE 77 H PHE 77 62.582 -5.432 0.912 559 HA PHE 77 HA PHE 77 61.428 -2.934 1.729 560 1HB PHE 77 1HB PHE 77 62.110 -3.958 -0.593 561 2HB PHE 77 2HB PHE 77 60.457 -4.575 -0.599 562 HD1 PHE 77 HD1 PHE 77 58.547 -2.900 -0.186 563 HD2 PHE 77 HD2 PHE 77 62.555 -1.717 -1.179 564 HE1 PHE 77 HE1 PHE 77 57.716 -0.670 -0.886 565 HE2 PHE 77 HE2 PHE 77 61.724 0.513 -1.878 566 HZ PHE 77 HZ PHE 77 59.304 1.036 -1.731 567 H LEU 78 H LEU 78 60.021 -6.187 1.291 568 HA LEU 78 HA LEU 78 57.289 -5.545 1.670 569 1HB LEU 78 1HB LEU 78 59.007 -7.949 2.317 570 2HB LEU 78 2HB LEU 78 57.256 -7.970 2.525 571 HG LEU 78 HG LEU 78 58.744 -7.404 -0.055 572 1HD1 LEU 78 1HD1 LEU 78 57.031 -9.722 0.888 573 2HD1 LEU 78 2HD1 LEU 78 57.558 -9.499 -0.781 574 3HD1 LEU 78 3HD1 LEU 78 58.750 -9.770 0.492 575 1HD2 LEU 78 1HD2 LEU 78 55.900 -7.075 0.803 576 2HD2 LEU 78 2HD2 LEU 78 56.840 -6.129 -0.351 577 3HD2 LEU 78 3HD2 LEU 78 56.195 -7.702 -0.819 578 H VAL 79 H VAL 79 59.831 -6.233 4.073 579 HA VAL 79 HA VAL 79 58.168 -6.253 6.397 580 HB VAL 79 HB VAL 79 61.065 -5.477 5.953 581 1HG1 VAL 79 1HG1 VAL 79 59.824 -4.816 8.176 582 2HG1 VAL 79 2HG1 VAL 79 59.948 -6.538 8.533 583 3HG1 VAL 79 3HG1 VAL 79 61.409 -5.587 8.260 584 1HG2 VAL 79 1HG2 VAL 79 60.349 -7.776 5.221 585 2HG2 VAL 79 2HG2 VAL 79 61.537 -7.792 6.524 586 3HG2 VAL 79 3HG2 VAL 79 59.835 -8.092 6.878 587 H MET 80 H MET 80 60.204 -3.599 5.106 588 HA MET 80 HA MET 80 59.615 -1.556 6.875 589 1HB MET 80 1HB MET 80 60.844 -1.836 4.449 590 2HB MET 80 2HB MET 80 59.472 -0.816 4.016 591 1HG MET 80 1HG MET 80 60.832 -0.028 6.511 592 2HG MET 80 2HG MET 80 61.823 0.128 5.060 593 1HE MET 80 1HE MET 80 61.215 1.014 3.054 594 2HE MET 80 2HE MET 80 59.491 1.050 2.689 595 3HE MET 80 3HE MET 80 60.396 2.562 2.855 596 H MET 81 H MET 81 57.581 -2.549 4.096 597 HA MET 81 HA MET 81 55.568 -0.526 4.500 598 1HB MET 81 1HB MET 81 56.094 -2.882 2.848 599 2HB MET 81 2HB MET 81 54.381 -2.695 3.223 600 1HG MET 81 1HG MET 81 54.670 -1.401 1.268 601 2HG MET 81 2HG MET 81 54.714 -0.212 2.569 602 1HE MET 81 1HE MET 81 55.585 0.911 0.233 603 2HE MET 81 2HE MET 81 56.168 1.731 1.680 604 3HE MET 81 3HE MET 81 57.267 1.431 0.327 605 H VAL 82 H VAL 82 55.937 -3.849 5.722 606 HA VAL 82 HA VAL 82 53.327 -4.223 6.788 607 HB VAL 82 HB VAL 82 55.972 -5.143 7.953 608 1HG1 VAL 82 1HG1 VAL 82 53.758 -5.592 9.165 609 2HG1 VAL 82 2HG1 VAL 82 53.336 -6.618 7.794 610 3HG1 VAL 82 3HG1 VAL 82 54.741 -7.006 8.786 611 1HG2 VAL 82 1HG2 VAL 82 54.877 -5.549 5.326 612 2HG2 VAL 82 2HG2 VAL 82 56.362 -6.207 6.010 613 3HG2 VAL 82 3HG2 VAL 82 54.843 -7.079 6.204 614 H ARG 83 H ARG 83 56.191 -2.630 8.169 615 HA ARG 83 HA ARG 83 55.435 -2.242 10.822 616 1HB ARG 83 1HB ARG 83 56.748 -0.317 8.879 617 2HB ARG 83 2HB ARG 83 56.828 -0.184 10.636 618 1HG ARG 83 1HG ARG 83 57.612 -2.754 10.353 619 2HG ARG 83 2HG ARG 83 58.193 -2.101 8.819 620 1HD ARG 83 1HD ARG 83 58.903 -1.149 11.612 621 2HD ARG 83 2HD ARG 83 59.999 -1.787 10.369 622 HE ARG 83 HE ARG 83 59.329 0.241 8.985 623 1HH1 ARG 83 1HH1 ARG 83 57.926 0.387 12.042 624 2HH1 ARG 83 2HH1 ARG 83 58.443 2.003 12.390 625 1HH2 ARG 83 1HH2 ARG 83 60.458 2.248 9.580 626 2HH2 ARG 83 2HH2 ARG 83 59.877 3.055 10.997 627 H CYS 84 H CYS 84 54.861 0.287 8.326 628 HA CYS 84 HA CYS 84 53.102 1.876 9.839 629 1HB CYS 84 1HB CYS 84 52.481 2.814 7.692 630 2HB CYS 84 2HB CYS 84 54.184 2.363 7.616 631 HG CYS 84 HG CYS 84 53.321 0.090 6.408 632 H MET 85 H MET 85 52.427 -1.117 8.090 633 HA MET 85 HA MET 85 49.527 -0.846 8.202 634 1HB MET 85 1HB MET 85 51.391 -3.203 7.769 635 2HB MET 85 2HB MET 85 49.653 -3.231 7.471 636 1HG MET 85 1HG MET 85 49.806 -1.818 5.631 637 2HG MET 85 2HG MET 85 51.310 -1.088 6.188 638 1HE MET 85 1HE MET 85 51.278 -1.274 3.700 639 2HE MET 85 2HE MET 85 52.482 -2.352 2.981 640 3HE MET 85 3HE MET 85 50.772 -2.770 2.920 641 H LYS 86 H LYS 86 48.420 -0.992 10.120 642 HA LYS 86 HA LYS 86 49.359 -3.008 12.130 643 1HB LYS 86 1HB LYS 86 49.819 -0.422 12.450 644 2HB LYS 86 2HB LYS 86 48.122 -0.392 12.933 645 1HG LYS 86 1HG LYS 86 48.532 -2.060 14.657 646 2HG LYS 86 2HG LYS 86 50.201 -2.251 14.121 647 1HD LYS 86 1HD LYS 86 50.648 -0.706 15.732 648 2HD LYS 86 2HD LYS 86 50.089 0.449 14.521 649 1HE LYS 86 1HE LYS 86 47.738 0.119 15.454 650 2HE LYS 86 2HE LYS 86 48.495 -0.751 16.804 651 1HZ LYS 86 1HZ LYS 86 50.053 1.245 16.915 652 2HZ LYS 86 2HZ LYS 86 48.901 2.057 15.966 653 3HZ LYS 86 3HZ LYS 86 48.477 1.464 17.501 654 H ASP 87 H ASP 87 46.970 -1.659 13.718 655 HA ASP 87 HA ASP 87 44.907 -3.466 12.549 656 1HB ASP 87 1HB ASP 87 45.724 -3.632 14.942 657 2HB ASP 87 2HB ASP 87 44.993 -2.052 15.229 658 H ASP 88 H ASP 88 43.265 -2.532 11.406 659 HA ASP 88 HA ASP 88 42.690 0.376 11.865 660 1HB ASP 88 1HB ASP 88 42.081 0.434 9.542 661 2HB ASP 88 2HB ASP 88 43.578 -0.493 9.630 662 H SER 89 H SER 89 40.417 0.998 11.858 663 HA SER 89 HA SER 89 38.666 -0.679 13.337 664 1HB SER 89 1HB SER 89 38.341 1.750 11.576 665 2HB SER 89 2HB SER 89 36.954 1.029 12.387 666 HG SER 89 HG SER 89 37.949 2.665 13.647 667 1H ARG 1 1H ARG 1 57.110 5.531 8.414 668 2H ARG 1 2H ARG 1 56.595 5.166 9.988 669 3H ARG 1 3H ARG 1 56.084 4.205 8.684 670 HA ARG 1 HA ARG 1 54.232 5.542 9.105 671 1HB ARG 1 1HB ARG 1 56.436 7.316 9.944 672 2HB ARG 1 2HB ARG 1 55.074 8.160 9.205 673 1HG ARG 1 1HG ARG 1 53.526 7.061 10.768 674 2HG ARG 1 2HG ARG 1 54.871 6.184 11.497 675 1HD ARG 1 1HD ARG 1 55.887 8.603 11.829 676 2HD ARG 1 2HD ARG 1 54.188 9.101 11.702 677 HE ARG 1 HE ARG 1 55.243 7.177 13.730 678 1HH1 ARG 1 1HH1 ARG 1 52.329 6.889 12.868 679 2HH1 ARG 1 2HH1 ARG 1 51.529 7.833 14.081 680 1HH2 ARG 1 1HH2 ARG 1 54.425 9.427 15.126 681 2HH2 ARG 1 2HH2 ARG 1 52.716 9.272 15.359 682 H ILE 2 H ILE 2 55.233 4.638 6.679 683 HA ILE 2 HA ILE 2 54.928 7.018 4.874 684 HB ILE 2 HB ILE 2 56.502 4.439 4.658 685 1HG1 ILE 2 1HG1 ILE 2 57.332 7.352 4.451 686 2HG1 ILE 2 2HG1 ILE 2 57.489 6.374 5.909 687 1HG2 ILE 2 1HG2 ILE 2 55.832 6.500 2.544 688 2HG2 ILE 2 2HG2 ILE 2 57.192 5.386 2.398 689 3HG2 ILE 2 3HG2 ILE 2 55.545 4.761 2.482 690 1HD1 ILE 2 1HD1 ILE 2 58.647 4.777 3.963 691 2HD1 ILE 2 2HD1 ILE 2 59.155 6.401 3.499 692 3HD1 ILE 2 3HD1 ILE 2 59.524 5.789 5.111 693 H SER 3 H SER 3 52.780 6.945 4.245 694 HA SER 3 HA SER 3 51.154 4.609 4.063 695 1HB SER 3 1HB SER 3 51.063 7.335 2.741 696 2HB SER 3 2HB SER 3 49.742 6.174 2.647 697 HG SER 3 HG SER 3 50.702 7.653 4.814 698 H ALA 4 H ALA 4 50.396 3.516 2.104 699 HA ALA 4 HA ALA 4 52.524 3.320 0.026 700 1HB ALA 4 1HB ALA 4 50.206 1.600 0.936 701 2HB ALA 4 2HB ALA 4 51.131 1.228 -0.519 702 3HB ALA 4 3HB ALA 4 51.929 1.247 1.053 703 H ASP 5 H ASP 5 49.034 3.905 0.403 704 HA ASP 5 HA ASP 5 48.249 3.979 -2.308 705 1HB ASP 5 1HB ASP 5 47.408 5.481 0.181 706 2HB ASP 5 2HB ASP 5 46.550 5.668 -1.350 707 H ALA 6 H ALA 6 50.186 6.240 -0.473 708 HA ALA 6 HA ALA 6 49.829 8.539 -2.199 709 1HB ALA 6 1HB ALA 6 51.058 7.863 0.234 710 2HB ALA 6 2HB ALA 6 52.385 8.359 -0.817 711 3HB ALA 6 3HB ALA 6 51.037 9.457 -0.519 712 H MET 7 H MET 7 52.536 6.202 -1.863 713 HA MET 7 HA MET 7 54.186 7.075 -3.940 714 1HB MET 7 1HB MET 7 53.730 4.719 -2.346 715 2HB MET 7 2HB MET 7 54.117 4.236 -3.997 716 1HG MET 7 1HG MET 7 56.059 5.912 -3.862 717 2HG MET 7 2HG MET 7 55.759 5.947 -2.125 718 1HE MET 7 1HE MET 7 57.942 5.154 -4.296 719 2HE MET 7 2HE MET 7 58.711 3.608 -3.944 720 3HE MET 7 3HE MET 7 57.377 3.678 -5.094 721 H MET 8 H MET 8 51.071 5.502 -4.169 722 HA MET 8 HA MET 8 51.392 4.773 -7.005 723 1HB MET 8 1HB MET 8 49.319 4.576 -4.847 724 2HB MET 8 2HB MET 8 48.804 4.395 -6.524 725 1HG MET 8 1HG MET 8 49.433 2.231 -6.324 726 2HG MET 8 2HG MET 8 51.089 2.830 -6.398 727 1HE MET 8 1HE MET 8 52.649 2.747 -4.959 728 2HE MET 8 2HE MET 8 52.173 3.921 -3.736 729 3HE MET 8 3HE MET 8 52.659 2.288 -3.257 730 H GLN 9 H GLN 9 49.765 7.284 -5.086 731 HA GLN 9 HA GLN 9 48.422 8.496 -7.369 732 1HB GLN 9 1HB GLN 9 48.388 8.607 -4.554 733 2HB GLN 9 2HB GLN 9 48.847 10.227 -5.080 734 1HG GLN 9 1HG GLN 9 46.793 10.651 -5.939 735 2HG GLN 9 2HG GLN 9 46.681 9.053 -6.678 736 1HE2 GLN 9 2HE2 GLN 9 45.960 7.242 -5.252 737 2HE2 GLN 9 1HE2 GLN 9 45.031 7.578 -3.870 738 H ALA 10 H ALA 10 51.474 9.034 -5.645 739 HA ALA 10 HA ALA 10 52.071 11.513 -7.101 740 1HB ALA 10 1HB ALA 10 53.645 9.685 -5.259 741 2HB ALA 10 2HB ALA 10 54.241 11.235 -5.852 742 3HB ALA 10 3HB ALA 10 52.820 11.178 -4.809 743 H LEU 11 H LEU 11 53.394 8.182 -7.060 744 HA LEU 11 HA LEU 11 54.201 8.543 -9.909 745 1HB LEU 11 1HB LEU 11 56.438 7.548 -9.252 746 2HB LEU 11 2HB LEU 11 56.143 9.162 -8.604 747 HG LEU 11 HG LEU 11 55.143 7.005 -6.874 748 1HD1 LEU 11 1HD1 LEU 11 57.381 6.183 -8.010 749 2HD1 LEU 11 2HD1 LEU 11 58.127 7.335 -6.904 750 3HD1 LEU 11 3HD1 LEU 11 57.161 6.004 -6.269 751 1HD2 LEU 11 1HD2 LEU 11 55.499 9.568 -6.477 752 2HD2 LEU 11 2HD2 LEU 11 55.901 8.444 -5.178 753 3HD2 LEU 11 3HD2 LEU 11 57.180 9.116 -6.189 754 H LEU 12 H LEU 12 55.550 6.114 -10.178 755 HA LEU 12 HA LEU 12 55.188 3.793 -10.414 756 1HB LEU 12 1HB LEU 12 53.270 4.145 -8.099 757 2HB LEU 12 2HB LEU 12 54.228 2.721 -8.504 758 HG LEU 12 HG LEU 12 55.461 5.383 -7.755 759 1HD1 LEU 12 1HD1 LEU 12 53.987 3.965 -6.008 760 2HD1 LEU 12 2HD1 LEU 12 55.501 3.072 -5.879 761 3HD1 LEU 12 3HD1 LEU 12 55.465 4.800 -5.534 762 1HD2 LEU 12 1HD2 LEU 12 56.525 2.550 -7.983 763 2HD2 LEU 12 2HD2 LEU 12 56.923 3.908 -9.035 764 3HD2 LEU 12 3HD2 LEU 12 57.449 3.913 -7.351 765 H GLY 13 H GLY 13 53.939 4.782 -12.399 766 1HA GLY 13 1HA GLY 13 52.121 4.499 -13.856 767 2HA GLY 13 2HA GLY 13 51.485 3.320 -12.709 768 H ALA 14 H ALA 14 50.448 5.889 -14.230 769 HA ALA 14 HA ALA 14 48.740 6.772 -11.956 770 1HB ALA 14 1HB ALA 14 50.592 8.446 -13.655 771 2HB ALA 14 2HB ALA 14 49.195 9.165 -12.855 772 3HB ALA 14 3HB ALA 14 50.464 8.400 -11.898 773 H ARG 15 H ARG 15 48.750 5.413 -14.849 774 HA ARG 15 HA ARG 15 46.086 6.408 -15.569 775 1HB ARG 15 1HB ARG 15 46.956 7.066 -17.890 776 2HB ARG 15 2HB ARG 15 47.398 8.150 -16.570 777 1HG ARG 15 1HG ARG 15 49.301 5.949 -16.930 778 2HG ARG 15 2HG ARG 15 49.176 6.994 -18.345 779 1HD ARG 15 1HD ARG 15 49.537 8.091 -15.540 780 2HD ARG 15 2HD ARG 15 50.899 7.744 -16.623 781 HE ARG 15 HE ARG 15 48.675 9.607 -17.378 782 1HH1 ARG 15 1HH1 ARG 15 50.517 8.794 -19.561 783 2HH1 ARG 15 2HH1 ARG 15 51.726 10.034 -19.520 784 1HH2 ARG 15 1HH2 ARG 15 50.858 11.145 -16.352 785 2HH2 ARG 15 2HH2 ARG 15 51.917 11.365 -17.704 786 H ALA 16 H ALA 16 45.950 5.431 -18.166 787 HA ALA 16 HA ALA 16 45.545 3.365 -19.255 788 1HB ALA 16 1HB ALA 16 48.355 3.066 -18.148 789 2HB ALA 16 2HB ALA 16 47.673 2.049 -19.418 790 3HB ALA 16 3HB ALA 16 47.913 3.773 -19.702 791 H LYS 17 H LYS 17 43.912 2.384 -17.971 792 HA LYS 17 HA LYS 17 44.142 1.244 -15.415 793 1HB LYS 17 1HB LYS 17 42.428 1.022 -17.801 794 2HB LYS 17 2HB LYS 17 42.398 -0.410 -16.772 795 1HG LYS 17 1HG LYS 17 41.913 1.027 -14.809 796 2HG LYS 17 2HG LYS 17 41.890 2.439 -15.865 797 1HD LYS 17 1HD LYS 17 39.706 2.035 -16.239 798 2HD LYS 17 2HD LYS 17 40.185 0.567 -17.092 799 1HE LYS 17 1HE LYS 17 40.195 -0.644 -14.882 800 2HE LYS 17 2HE LYS 17 39.515 0.819 -14.142 801 1HZ LYS 17 1HZ LYS 17 37.918 0.645 -16.203 802 2HZ LYS 17 2HZ LYS 17 38.309 -1.005 -16.091 803 3HZ LYS 17 3HZ LYS 17 37.596 -0.213 -14.772 Start of MODEL 34 1 1H MET 1 1H MET 1 63.883 -11.597 15.646 2 2H MET 1 2H MET 1 63.844 -9.908 15.794 3 3H MET 1 3H MET 1 65.073 -10.798 16.557 4 HA MET 1 HA MET 1 63.569 -11.737 18.121 5 1HB MET 1 1HB MET 1 64.437 -9.353 18.314 6 2HB MET 1 2HB MET 1 62.871 -8.817 17.704 7 1HG MET 1 1HG MET 1 62.533 -10.750 19.839 8 2HG MET 1 2HG MET 1 63.522 -9.392 20.376 9 1HE MET 1 1HE MET 1 61.081 -10.480 21.347 10 2HE MET 1 2HE MET 1 60.093 -9.092 21.795 11 3HE MET 1 3HE MET 1 59.564 -10.157 20.496 12 H ASP 2 H ASP 2 61.624 -9.327 16.309 13 HA ASP 2 HA ASP 2 59.080 -10.331 16.970 14 1HB ASP 2 1HB ASP 2 60.031 -9.070 14.374 15 2HB ASP 2 2HB ASP 2 58.368 -9.081 14.966 16 H ASP 3 H ASP 3 57.624 -11.746 15.810 17 HA ASP 3 HA ASP 3 58.815 -13.474 13.692 18 1HB ASP 3 1HB ASP 3 58.748 -14.141 16.400 19 2HB ASP 3 2HB ASP 3 57.348 -14.976 15.728 20 H ILE 4 H ILE 4 56.590 -11.412 13.927 21 HA ILE 4 HA ILE 4 54.274 -13.170 13.186 22 HB ILE 4 HB ILE 4 53.893 -11.804 15.162 23 1HG1 ILE 4 1HG1 ILE 4 52.578 -10.391 12.825 24 2HG1 ILE 4 2HG1 ILE 4 52.084 -11.990 13.384 25 1HG2 ILE 4 1HG2 ILE 4 55.493 -9.918 13.665 26 2HG2 ILE 4 2HG2 ILE 4 53.985 -9.159 14.176 27 3HG2 ILE 4 3HG2 ILE 4 55.056 -9.888 15.373 28 1HD1 ILE 4 1HD1 ILE 4 52.116 -10.630 15.742 29 2HD1 ILE 4 2HD1 ILE 4 51.659 -9.338 14.632 30 3HD1 ILE 4 3HD1 ILE 4 50.680 -10.801 14.734 31 H TYR 5 H TYR 5 56.384 -10.567 12.155 32 HA TYR 5 HA TYR 5 54.722 -9.753 9.888 33 1HB TYR 5 1HB TYR 5 57.488 -9.203 10.940 34 2HB TYR 5 2HB TYR 5 57.021 -8.622 9.340 35 HD1 TYR 5 HD1 TYR 5 55.156 -7.016 9.074 36 HD2 TYR 5 HD2 TYR 5 56.520 -8.266 12.949 37 HE1 TYR 5 HE1 TYR 5 53.933 -5.127 10.114 38 HE2 TYR 5 HE2 TYR 5 55.299 -6.376 13.990 39 HH TYR 5 HH TYR 5 53.667 -4.812 13.609 40 H LYS 6 H LYS 6 57.724 -11.666 10.292 41 HA LYS 6 HA LYS 6 58.433 -12.255 7.689 42 1HB LYS 6 1HB LYS 6 58.511 -13.565 10.316 43 2HB LYS 6 2HB LYS 6 58.548 -14.716 8.979 44 1HG LYS 6 1HG LYS 6 60.275 -12.421 8.477 45 2HG LYS 6 2HG LYS 6 60.723 -13.267 9.959 46 1HD LYS 6 1HD LYS 6 60.949 -15.358 8.794 47 2HD LYS 6 2HD LYS 6 60.234 -14.686 7.328 48 1HE LYS 6 1HE LYS 6 62.522 -13.102 8.210 49 2HE LYS 6 2HE LYS 6 62.967 -14.792 7.899 50 1HZ LYS 6 1HZ LYS 6 61.293 -13.152 6.074 51 2HZ LYS 6 2HZ LYS 6 62.964 -13.380 5.872 52 3HZ LYS 6 3HZ LYS 6 61.906 -14.705 5.777 53 H ALA 7 H ALA 7 55.571 -13.334 9.414 54 HA ALA 7 HA ALA 7 54.791 -15.315 7.396 55 1HB ALA 7 1HB ALA 7 53.818 -14.201 9.979 56 2HB ALA 7 2HB ALA 7 52.592 -14.891 8.914 57 3HB ALA 7 3HB ALA 7 53.945 -15.881 9.461 58 H ALA 8 H ALA 8 53.396 -12.191 8.492 59 HA ALA 8 HA ALA 8 51.361 -11.846 6.637 60 1HB ALA 8 1HB ALA 8 53.334 -10.017 7.977 61 2HB ALA 8 2HB ALA 8 52.176 -9.343 6.831 62 3HB ALA 8 3HB ALA 8 51.604 -10.187 8.270 63 H VAL 9 H VAL 9 54.835 -11.225 6.126 64 HA VAL 9 HA VAL 9 54.670 -10.082 3.522 65 HB VAL 9 HB VAL 9 56.782 -11.868 4.778 66 1HG1 VAL 9 1HG1 VAL 9 56.670 -10.193 2.314 67 2HG1 VAL 9 2HG1 VAL 9 58.162 -10.141 3.253 68 3HG1 VAL 9 3HG1 VAL 9 57.569 -11.678 2.624 69 1HG2 VAL 9 1HG2 VAL 9 55.823 -9.535 5.802 70 2HG2 VAL 9 2HG2 VAL 9 57.492 -10.072 5.997 71 3HG2 VAL 9 3HG2 VAL 9 57.079 -8.920 4.726 72 H GLU 10 H GLU 10 55.685 -13.430 4.268 73 HA GLU 10 HA GLU 10 55.400 -14.444 1.630 74 1HB GLU 10 1HB GLU 10 55.991 -15.340 4.289 75 2HB GLU 10 2HB GLU 10 54.854 -16.475 3.560 76 1HG GLU 10 1HG GLU 10 56.431 -17.287 2.168 77 2HG GLU 10 2HG GLU 10 56.903 -15.665 1.661 78 H GLN 11 H GLN 11 52.984 -13.816 4.086 79 HA GLN 11 HA GLN 11 50.953 -15.584 2.962 80 1HB GLN 11 1HB GLN 11 51.325 -14.511 5.358 81 2HB GLN 11 2HB GLN 11 50.364 -13.196 4.680 82 1HG GLN 11 1HG GLN 11 48.506 -14.619 4.272 83 2HG GLN 11 2HG GLN 11 49.474 -16.076 4.495 84 1HE2 GLN 11 2HE2 GLN 11 48.968 -13.092 6.478 85 2HE2 GLN 11 1HE2 GLN 11 48.615 -13.933 7.909 86 H LEU 12 H LEU 12 52.207 -12.539 2.048 87 HA LEU 12 HA LEU 12 50.051 -11.018 1.156 88 1HB LEU 12 1HB LEU 12 52.750 -11.645 -0.066 89 2HB LEU 12 2HB LEU 12 51.688 -10.394 -0.714 90 HG LEU 12 HG LEU 12 52.456 -10.456 2.204 91 1HD1 LEU 12 1HD1 LEU 12 54.086 -9.726 -0.136 92 2HD1 LEU 12 2HD1 LEU 12 53.970 -8.452 1.078 93 3HD1 LEU 12 3HD1 LEU 12 54.583 -10.044 1.525 94 1HD2 LEU 12 1HD2 LEU 12 50.515 -9.061 1.091 95 2HD2 LEU 12 2HD2 LEU 12 51.588 -8.288 2.258 96 3HD2 LEU 12 3HD2 LEU 12 51.837 -8.037 0.530 97 H THR 13 H THR 13 49.010 -10.899 -0.992 98 HA THR 13 HA THR 13 48.430 -13.603 -2.074 99 HB THR 13 HB THR 13 46.855 -11.735 -3.384 100 HG1 THR 13 HG1 THR 13 46.936 -9.987 -2.258 101 1HG2 THR 13 1HG2 THR 13 46.136 -13.827 -2.252 102 2HG2 THR 13 2HG2 THR 13 46.322 -13.022 -0.694 103 3HG2 THR 13 3HG2 THR 13 45.104 -12.457 -1.838 104 H GLU 14 H GLU 14 48.567 -14.017 -4.374 105 HA GLU 14 HA GLU 14 50.884 -13.311 -5.729 106 1HB GLU 14 1HB GLU 14 49.534 -13.930 -7.781 107 2HB GLU 14 2HB GLU 14 49.401 -15.083 -6.452 108 1HG GLU 14 1HG GLU 14 47.349 -13.555 -5.762 109 2HG GLU 14 2HG GLU 14 47.376 -13.125 -7.472 110 H GLU 15 H GLU 15 47.769 -11.577 -5.774 111 HA GLU 15 HA GLU 15 48.518 -9.627 -7.756 112 1HB GLU 15 1HB GLU 15 46.314 -10.330 -6.084 113 2HB GLU 15 2HB GLU 15 46.628 -8.610 -5.856 114 1HG GLU 15 1HG GLU 15 46.111 -8.084 -8.032 115 2HG GLU 15 2HG GLU 15 46.690 -9.631 -8.653 116 H GLN 16 H GLN 16 48.111 -9.159 -4.222 117 HA GLN 16 HA GLN 16 49.272 -6.634 -3.966 118 1HB GLN 16 1HB GLN 16 48.220 -7.660 -2.099 119 2HB GLN 16 2HB GLN 16 49.233 -9.099 -2.219 120 1HG GLN 16 1HG GLN 16 51.059 -8.068 -1.232 121 2HG GLN 16 2HG GLN 16 50.567 -6.458 -1.760 122 1HE2 GLN 16 2HE2 GLN 16 50.382 -5.373 0.245 123 2HE2 GLN 16 1HE2 GLN 16 49.357 -5.879 1.501 124 H LYS 17 H LYS 17 50.911 -9.781 -4.192 125 HA LYS 17 HA LYS 17 53.540 -9.100 -3.512 126 1HB LYS 17 1HB LYS 17 52.157 -11.213 -4.674 127 2HB LYS 17 2HB LYS 17 53.312 -10.750 -5.925 128 1HG LYS 17 1HG LYS 17 54.568 -12.254 -4.649 129 2HG LYS 17 2HG LYS 17 55.029 -10.705 -3.940 130 1HD LYS 17 1HD LYS 17 53.721 -11.036 -2.032 131 2HD LYS 17 2HD LYS 17 52.665 -12.197 -2.838 132 1HE LYS 17 1HE LYS 17 54.053 -13.957 -2.382 133 2HE LYS 17 2HE LYS 17 55.516 -12.999 -2.681 134 1HZ LYS 17 1HZ LYS 17 54.710 -11.728 -0.578 135 2HZ LYS 17 2HZ LYS 17 53.880 -13.172 -0.243 136 3HZ LYS 17 3HZ LYS 17 55.568 -13.182 -0.403 137 H ASN 18 H ASN 18 52.197 -9.015 -6.844 138 HA ASN 18 HA ASN 18 54.444 -7.642 -7.986 139 1HB ASN 18 1HB ASN 18 51.529 -7.810 -8.821 140 2HB ASN 18 2HB ASN 18 52.864 -7.344 -9.876 141 1HD2 ASN 18 2HD2 ASN 18 51.307 -10.069 -8.279 142 2HD2 ASN 18 1HD2 ASN 18 52.252 -11.276 -9.008 143 H GLU 19 H GLU 19 52.058 -6.521 -5.854 144 HA GLU 19 HA GLU 19 51.738 -3.821 -6.893 145 1HB GLU 19 1HB GLU 19 50.573 -5.502 -4.989 146 2HB GLU 19 2HB GLU 19 51.301 -4.210 -4.035 147 1HG GLU 19 1HG GLU 19 49.745 -2.725 -4.711 148 2HG GLU 19 2HG GLU 19 49.979 -3.162 -6.405 149 H PHE 20 H PHE 20 53.371 -5.022 -3.920 150 HA PHE 20 HA PHE 20 54.758 -2.559 -3.425 151 1HB PHE 20 1HB PHE 20 55.680 -3.754 -1.624 152 2HB PHE 20 2HB PHE 20 54.185 -4.633 -1.933 153 HD1 PHE 20 HD1 PHE 20 54.231 -6.797 -3.172 154 HD2 PHE 20 HD2 PHE 20 57.831 -4.746 -2.043 155 HE1 PHE 20 HE1 PHE 20 55.537 -8.867 -3.573 156 HE2 PHE 20 HE2 PHE 20 59.137 -6.815 -2.443 157 HZ PHE 20 HZ PHE 20 57.990 -8.877 -3.208 158 H LYS 21 H LYS 21 55.550 -5.376 -5.390 159 HA LYS 21 HA LYS 21 58.339 -5.099 -5.683 160 1HB LYS 21 1HB LYS 21 56.099 -5.927 -7.538 161 2HB LYS 21 2HB LYS 21 57.790 -6.039 -8.025 162 1HG LYS 21 1HG LYS 21 57.736 -7.173 -5.472 163 2HG LYS 21 2HG LYS 21 56.270 -7.774 -6.248 164 1HD LYS 21 1HD LYS 21 58.661 -7.796 -7.976 165 2HD LYS 21 2HD LYS 21 58.750 -8.881 -6.588 166 1HE LYS 21 1HE LYS 21 56.215 -8.852 -8.195 167 2HE LYS 21 2HE LYS 21 57.626 -9.712 -8.845 168 1HZ LYS 21 1HZ LYS 21 57.121 -10.080 -6.010 169 2HZ LYS 21 2HZ LYS 21 55.966 -10.775 -7.045 170 3HZ LYS 21 3HZ LYS 21 57.602 -11.209 -7.180 171 H ALA 22 H ALA 22 55.717 -3.240 -7.169 172 HA ALA 22 HA ALA 22 57.259 -1.843 -9.134 173 1HB ALA 22 1HB ALA 22 54.628 -1.996 -8.236 174 2HB ALA 22 2HB ALA 22 55.088 -0.333 -7.871 175 3HB ALA 22 3HB ALA 22 55.211 -0.940 -9.522 176 H ALA 23 H ALA 23 56.084 -0.585 -5.982 177 HA ALA 23 HA ALA 23 57.564 1.782 -5.867 178 1HB ALA 23 1HB ALA 23 55.984 0.181 -4.187 179 2HB ALA 23 2HB ALA 23 57.502 0.385 -3.314 180 3HB ALA 23 3HB ALA 23 56.582 1.800 -3.826 181 H PHE 24 H PHE 24 58.588 -1.420 -4.612 182 HA PHE 24 HA PHE 24 61.115 -0.862 -3.627 183 1HB PHE 24 1HB PHE 24 59.968 -3.071 -3.718 184 2HB PHE 24 2HB PHE 24 60.314 -3.160 -5.444 185 HD1 PHE 24 HD1 PHE 24 62.037 -2.658 -2.151 186 HD2 PHE 24 HD2 PHE 24 62.306 -4.148 -6.170 187 HE1 PHE 24 HE1 PHE 24 64.282 -3.590 -1.656 188 HE2 PHE 24 HE2 PHE 24 64.550 -5.080 -5.675 189 HZ PHE 24 HZ PHE 24 65.538 -4.801 -3.418 190 H ASP 25 H ASP 25 60.282 -1.416 -7.065 191 HA ASP 25 HA ASP 25 62.908 -1.117 -8.132 192 1HB ASP 25 1HB ASP 25 60.427 -1.740 -9.056 193 2HB ASP 25 2HB ASP 25 60.589 -0.098 -9.682 194 H ILE 26 H ILE 26 60.270 1.321 -8.068 195 HA ILE 26 HA ILE 26 61.764 3.541 -8.954 196 HB ILE 26 HB ILE 26 59.438 3.222 -7.040 197 1HG1 ILE 26 1HG1 ILE 26 58.431 4.394 -9.228 198 2HG1 ILE 26 2HG1 ILE 26 59.821 3.607 -9.976 199 1HG2 ILE 26 1HG2 ILE 26 61.040 5.515 -7.293 200 2HG2 ILE 26 2HG2 ILE 26 59.636 5.825 -8.312 201 3HG2 ILE 26 3HG2 ILE 26 59.417 5.432 -6.608 202 1HD1 ILE 26 1HD1 ILE 26 58.208 1.963 -8.091 203 2HD1 ILE 26 2HD1 ILE 26 57.466 2.349 -9.644 204 3HD1 ILE 26 3HD1 ILE 26 59.008 1.495 -9.592 205 H PHE 27 H PHE 27 61.735 1.955 -5.825 206 HA PHE 27 HA PHE 27 62.990 4.110 -4.336 207 1HB PHE 27 1HB PHE 27 62.394 1.187 -3.991 208 2HB PHE 27 2HB PHE 27 63.487 1.972 -2.849 209 HD1 PHE 27 HD1 PHE 27 60.720 3.711 -4.580 210 HD2 PHE 27 HD2 PHE 27 62.023 1.872 -0.923 211 HE1 PHE 27 HE1 PHE 27 58.778 4.695 -3.393 212 HE2 PHE 27 HE2 PHE 27 60.080 2.856 0.265 213 HZ PHE 27 HZ PHE 27 58.457 4.268 -0.972 214 H VAL 28 H VAL 28 64.148 1.346 -6.215 215 HA VAL 28 HA VAL 28 66.971 2.055 -5.525 216 HB VAL 28 HB VAL 28 67.460 -0.202 -6.264 217 1HG1 VAL 28 1HG1 VAL 28 65.516 0.398 -4.238 218 2HG1 VAL 28 2HG1 VAL 28 65.100 -1.146 -4.983 219 3HG1 VAL 28 3HG1 VAL 28 66.697 -0.912 -4.271 220 1HG2 VAL 28 1HG2 VAL 28 65.170 0.223 -7.898 221 2HG2 VAL 28 2HG2 VAL 28 66.255 -1.168 -7.904 222 3HG2 VAL 28 3HG2 VAL 28 64.822 -1.170 -6.875 223 H LEU 29 H LEU 29 64.855 3.129 -7.671 224 HA LEU 29 HA LEU 29 65.662 2.631 -10.287 225 1HB LEU 29 1HB LEU 29 64.107 4.465 -8.900 226 2HB LEU 29 2HB LEU 29 65.317 5.480 -9.684 227 HG LEU 29 HG LEU 29 63.442 3.505 -11.005 228 1HD1 LEU 29 1HD1 LEU 29 63.367 6.315 -10.494 229 2HD1 LEU 29 2HD1 LEU 29 63.581 6.087 -12.230 230 3HD1 LEU 29 3HD1 LEU 29 62.210 5.345 -11.405 231 1HD2 LEU 29 1HD2 LEU 29 66.109 4.283 -11.767 232 2HD2 LEU 29 2HD2 LEU 29 64.989 3.219 -12.619 233 3HD2 LEU 29 3HD2 LEU 29 64.957 4.958 -12.919 234 H GLY 30 H GLY 30 67.951 2.237 -10.441 235 1HA GLY 30 1HA GLY 30 69.815 3.663 -11.447 236 2HA GLY 30 2HA GLY 30 69.666 4.647 -9.990 237 H ALA 31 H ALA 31 69.200 2.241 -8.296 238 HA ALA 31 HA ALA 31 71.744 1.765 -7.272 239 1HB ALA 31 1HB ALA 31 69.187 0.956 -6.768 240 2HB ALA 31 2HB ALA 31 69.903 -0.557 -7.324 241 3HB ALA 31 3HB ALA 31 70.598 0.293 -5.944 242 H GLU 32 H GLU 32 73.154 -0.167 -7.460 243 HA GLU 32 HA GLU 32 73.538 -0.954 -10.276 244 1HB GLU 32 1HB GLU 32 75.136 -0.429 -8.051 245 2HB GLU 32 2HB GLU 32 75.248 -2.180 -8.240 246 1HG GLU 32 1HG GLU 32 75.750 -1.797 -10.686 247 2HG GLU 32 2HG GLU 32 75.856 -0.073 -10.330 248 H ASP 33 H ASP 33 73.057 -2.623 -7.139 249 HA ASP 33 HA ASP 33 72.522 -5.175 -8.555 250 1HB ASP 33 1HB ASP 33 73.600 -4.310 -6.062 251 2HB ASP 33 2HB ASP 33 72.155 -5.258 -5.706 252 H GLY 34 H GLY 34 70.790 -2.519 -7.203 253 1HA GLY 34 1HA GLY 34 68.378 -2.355 -7.705 254 2HA GLY 34 2HA GLY 34 68.259 -4.093 -7.425 255 H CYS 35 H CYS 35 70.310 -2.473 -5.219 256 HA CYS 35 HA CYS 35 68.279 -2.842 -3.075 257 1HB CYS 35 1HB CYS 35 71.260 -2.704 -3.319 258 2HB CYS 35 2HB CYS 35 70.538 -2.269 -1.770 259 HG CYS 35 HG CYS 35 70.947 -5.052 -2.604 260 H ILE 36 H ILE 36 68.412 -1.082 -1.289 261 HA ILE 36 HA ILE 36 68.289 1.585 -2.623 262 HB ILE 36 HB ILE 36 67.208 0.505 -0.002 263 1HG1 ILE 36 1HG1 ILE 36 65.637 1.394 -2.420 264 2HG1 ILE 36 2HG1 ILE 36 66.248 -0.256 -2.292 265 1HG2 ILE 36 1HG2 ILE 36 67.517 3.220 -1.038 266 2HG2 ILE 36 2HG2 ILE 36 65.836 2.828 -0.681 267 3HG2 ILE 36 3HG2 ILE 36 67.061 2.685 0.579 268 1HD1 ILE 36 1HD1 ILE 36 64.705 0.967 -0.017 269 2HD1 ILE 36 2HD1 ILE 36 63.854 0.265 -1.391 270 3HD1 ILE 36 3HD1 ILE 36 64.928 -0.736 -0.414 271 H SER 37 H SER 37 69.294 3.407 -1.593 272 HA SER 37 HA SER 37 71.147 2.936 0.674 273 1HB SER 37 1HB SER 37 71.844 3.002 -2.156 274 2HB SER 37 2HB SER 37 72.713 4.224 -1.237 275 HG SER 37 HG SER 37 73.477 1.849 -1.400 276 H THR 38 H THR 38 68.775 4.568 0.135 277 HA THR 38 HA THR 38 68.035 6.728 0.757 278 HB THR 38 HB THR 38 69.498 8.072 1.965 279 HG1 THR 38 HG1 THR 38 71.028 8.784 0.726 280 1HG2 THR 38 1HG2 THR 38 69.786 5.356 2.349 281 2HG2 THR 38 2HG2 THR 38 71.456 5.905 2.212 282 3HG2 THR 38 3HG2 THR 38 70.394 6.609 3.432 283 H LYS 39 H LYS 39 71.002 6.861 -1.272 284 HA LYS 39 HA LYS 39 70.460 9.181 -2.743 285 1HB LYS 39 1HB LYS 39 71.916 6.631 -3.094 286 2HB LYS 39 2HB LYS 39 71.519 7.458 -4.601 287 1HG LYS 39 1HG LYS 39 73.395 8.670 -4.198 288 2HG LYS 39 2HG LYS 39 72.394 9.538 -3.033 289 1HD LYS 39 1HD LYS 39 74.030 8.908 -1.567 290 2HD LYS 39 2HD LYS 39 73.119 7.398 -1.532 291 1HE LYS 39 1HE LYS 39 75.464 7.979 -3.380 292 2HE LYS 39 2HE LYS 39 75.515 6.939 -1.942 293 1HZ LYS 39 1HZ LYS 39 73.620 5.690 -2.932 294 2HZ LYS 39 2HZ LYS 39 73.836 6.576 -4.364 295 3HZ LYS 39 3HZ LYS 39 75.067 5.547 -3.804 296 H GLU 40 H GLU 40 69.157 5.902 -3.195 297 HA GLU 40 HA GLU 40 67.522 6.764 -5.507 298 1HB GLU 40 1HB GLU 40 67.552 4.120 -4.028 299 2HB GLU 40 2HB GLU 40 67.070 4.413 -5.699 300 1HG GLU 40 1HG GLU 40 69.871 4.926 -4.668 301 2HG GLU 40 2HG GLU 40 69.381 3.410 -5.423 302 H LEU 41 H LEU 41 67.062 5.589 -2.166 303 HA LEU 41 HA LEU 41 64.234 5.557 -2.082 304 1HB LEU 41 1HB LEU 41 66.050 4.816 -0.393 305 2HB LEU 41 2HB LEU 41 66.032 6.490 0.163 306 HG LEU 41 HG LEU 41 64.504 5.158 1.529 307 1HD1 LEU 41 1HD1 LEU 41 63.931 7.536 0.782 308 2HD1 LEU 41 2HD1 LEU 41 62.829 6.800 -0.383 309 3HD1 LEU 41 3HD1 LEU 41 62.578 6.555 1.346 310 1HD2 LEU 41 1HD2 LEU 41 64.114 3.498 -0.421 311 2HD2 LEU 41 2HD2 LEU 41 62.743 3.856 0.627 312 3HD2 LEU 41 3HD2 LEU 41 62.868 4.626 -0.954 313 H GLY 42 H GLY 42 66.258 8.179 -0.703 314 1HA GLY 42 1HA GLY 42 64.311 10.108 -0.330 315 2HA GLY 42 2HA GLY 42 65.955 10.518 -0.821 316 H LYS 43 H LYS 43 65.866 9.197 -3.373 317 HA LYS 43 HA LYS 43 65.099 11.169 -5.148 318 1HB LYS 43 1HB LYS 43 66.180 8.726 -5.303 319 2HB LYS 43 2HB LYS 43 64.557 8.319 -5.863 320 1HG LYS 43 1HG LYS 43 65.543 10.771 -7.085 321 2HG LYS 43 2HG LYS 43 66.602 9.401 -7.412 322 1HD LYS 43 1HD LYS 43 65.117 8.489 -8.828 323 2HD LYS 43 2HD LYS 43 63.815 8.634 -7.646 324 1HE LYS 43 1HE LYS 43 63.217 9.980 -9.587 325 2HE LYS 43 2HE LYS 43 63.654 11.094 -8.276 326 1HZ LYS 43 1HZ LYS 43 65.826 10.090 -9.943 327 2HZ LYS 43 2HZ LYS 43 64.782 11.220 -10.664 328 3HZ LYS 43 3HZ LYS 43 65.620 11.620 -9.241 329 H VAL 44 H VAL 44 63.010 8.655 -3.743 330 HA VAL 44 HA VAL 44 60.690 9.400 -5.356 331 HB VAL 44 HB VAL 44 61.212 7.631 -2.956 332 1HG1 VAL 44 1HG1 VAL 44 58.670 8.568 -4.138 333 2HG1 VAL 44 2HG1 VAL 44 58.796 6.818 -3.956 334 3HG1 VAL 44 3HG1 VAL 44 58.982 7.867 -2.550 335 1HG2 VAL 44 1HG2 VAL 44 61.978 7.160 -5.427 336 2HG2 VAL 44 2HG2 VAL 44 61.206 5.871 -4.502 337 3HG2 VAL 44 3HG2 VAL 44 60.275 6.788 -5.686 338 H MET 45 H MET 45 61.942 10.210 -2.157 339 HA MET 45 HA MET 45 59.658 11.252 -0.895 340 1HB MET 45 1HB MET 45 62.508 12.296 -0.923 341 2HB MET 45 2HB MET 45 61.310 12.638 0.326 342 1HG MET 45 1HG MET 45 62.469 9.933 -0.393 343 2HG MET 45 2HG MET 45 62.699 10.819 1.113 344 1HE MET 45 1HE MET 45 61.006 8.564 -0.981 345 2HE MET 45 2HE MET 45 59.585 7.944 -0.145 346 3HE MET 45 3HE MET 45 59.467 9.409 -1.129 347 H ARG 46 H ARG 46 61.831 12.891 -3.224 348 HA ARG 46 HA ARG 46 60.429 15.412 -3.133 349 1HB ARG 46 1HB ARG 46 61.857 15.954 -4.997 350 2HB ARG 46 2HB ARG 46 62.793 14.914 -3.926 351 1HG ARG 46 1HG ARG 46 62.701 13.104 -5.376 352 2HG ARG 46 2HG ARG 46 61.200 13.640 -6.127 353 1HD ARG 46 1HD ARG 46 62.874 14.064 -7.773 354 2HD ARG 46 2HD ARG 46 62.598 15.645 -7.016 355 HE ARG 46 HE ARG 46 64.557 14.431 -5.440 356 1HH1 ARG 46 1HH1 ARG 46 64.458 14.149 -8.787 357 2HH1 ARG 46 2HH1 ARG 46 65.993 14.899 -9.072 358 1HH2 ARG 46 1HH2 ARG 46 66.416 15.892 -5.776 359 2HH2 ARG 46 2HH2 ARG 46 67.101 15.886 -7.368 360 H MET 47 H MET 47 59.830 12.394 -4.754 361 HA MET 47 HA MET 47 58.027 13.554 -6.771 362 1HB MET 47 1HB MET 47 58.993 10.828 -5.932 363 2HB MET 47 2HB MET 47 57.613 10.968 -7.022 364 1HG MET 47 1HG MET 47 58.883 11.806 -8.747 365 2HG MET 47 2HG MET 47 60.011 12.616 -7.661 366 1HE MET 47 1HE MET 47 58.412 9.520 -8.541 367 2HE MET 47 2HE MET 47 59.663 8.598 -9.371 368 3HE MET 47 3HE MET 47 59.347 8.303 -7.662 369 H LEU 48 H LEU 48 57.780 11.800 -3.687 370 HA LEU 48 HA LEU 48 54.886 11.526 -3.773 371 1HB LEU 48 1HB LEU 48 56.966 11.381 -1.567 372 2HB LEU 48 2HB LEU 48 55.275 10.924 -1.356 373 HG LEU 48 HG LEU 48 57.332 9.638 -3.164 374 1HD1 LEU 48 1HD1 LEU 48 57.042 9.000 -0.692 375 2HD1 LEU 48 2HD1 LEU 48 55.459 8.373 -1.156 376 3HD1 LEU 48 3HD1 LEU 48 56.923 7.687 -1.864 377 1HD2 LEU 48 1HD2 LEU 48 54.313 9.356 -3.142 378 2HD2 LEU 48 2HD2 LEU 48 55.335 9.824 -4.500 379 3HD2 LEU 48 3HD2 LEU 48 55.390 8.171 -3.885 380 H GLY 49 H GLY 49 57.060 14.093 -2.991 381 1HA GLY 49 1HA GLY 49 56.078 16.366 -2.818 382 2HA GLY 49 2HA GLY 49 54.770 15.656 -1.870 383 H GLN 50 H GLN 50 58.021 14.552 -1.324 384 HA GLN 50 HA GLN 50 58.264 16.302 1.087 385 1HB GLN 50 1HB GLN 50 57.771 13.397 0.890 386 2HB GLN 50 2HB GLN 50 59.075 13.840 1.992 387 1HG GLN 50 1HG GLN 50 57.543 15.468 3.097 388 2HG GLN 50 2HG GLN 50 56.239 14.911 2.047 389 1HE2 GLN 50 2HE2 GLN 50 57.480 12.075 2.210 390 2HE2 GLN 50 1HE2 GLN 50 56.947 11.492 3.712 391 H ASN 51 H ASN 51 60.526 15.681 2.159 392 HA ASN 51 HA ASN 51 62.611 14.730 0.359 393 1HB ASN 51 1HB ASN 51 61.684 17.379 0.075 394 2HB ASN 51 2HB ASN 51 63.221 17.508 0.930 395 1HD2 ASN 51 2HD2 ASN 51 61.760 16.854 -2.154 396 2HD2 ASN 51 1HD2 ASN 51 63.192 16.485 -2.987 397 HA PRO 52 HA PRO 52 63.576 14.654 4.852 398 1HB PRO 52 1HB PRO 52 64.628 12.127 4.816 399 2HB PRO 52 2HB PRO 52 62.892 12.450 4.994 400 1HG PRO 52 1HG PRO 52 64.423 11.615 2.584 401 2HG PRO 52 2HG PRO 52 62.811 11.121 3.125 402 1HD PRO 52 1HD PRO 52 63.246 12.948 1.144 403 2HD PRO 52 2HD PRO 52 61.793 12.933 2.168 404 H THR 53 H THR 53 65.575 15.263 5.663 405 HA THR 53 HA THR 53 67.751 15.922 3.946 406 HB THR 53 HB THR 53 68.903 15.845 6.361 407 HG1 THR 53 HG1 THR 53 66.256 16.120 7.172 408 1HG2 THR 53 1HG2 THR 53 68.254 17.874 5.075 409 2HG2 THR 53 2HG2 THR 53 66.612 17.714 5.699 410 3HG2 THR 53 3HG2 THR 53 67.947 18.047 6.802 411 HA PRO 54 HA PRO 54 70.108 12.232 3.615 412 1HB PRO 54 1HB PRO 54 72.663 13.038 4.183 413 2HB PRO 54 2HB PRO 54 71.829 13.460 2.674 414 1HG PRO 54 1HG PRO 54 72.231 15.094 5.132 415 2HG PRO 54 2HG PRO 54 72.313 15.578 3.431 416 1HD PRO 54 1HD PRO 54 70.162 16.086 5.006 417 2HD PRO 54 2HD PRO 54 70.037 15.826 3.252 418 H GLU 55 H GLU 55 70.226 14.000 6.612 419 HA GLU 55 HA GLU 55 71.633 11.941 8.140 420 1HB GLU 55 1HB GLU 55 70.463 14.612 8.488 421 2HB GLU 55 2HB GLU 55 70.239 13.576 9.898 422 1HG GLU 55 1HG GLU 55 72.936 13.497 8.667 423 2HG GLU 55 2HG GLU 55 72.499 15.012 9.457 424 H GLU 56 H GLU 56 68.274 12.776 7.426 425 HA GLU 56 HA GLU 56 67.237 10.774 9.343 426 1HB GLU 56 1HB GLU 56 66.029 12.752 7.391 427 2HB GLU 56 2HB GLU 56 65.049 11.652 8.360 428 1HG GLU 56 1HG GLU 56 67.078 13.568 9.538 429 2HG GLU 56 2HG GLU 56 65.357 13.929 9.398 430 H LEU 57 H LEU 57 68.173 10.950 6.026 431 HA LEU 57 HA LEU 57 66.400 9.070 4.821 432 1HB LEU 57 1HB LEU 57 68.849 10.477 4.269 433 2HB LEU 57 2HB LEU 57 69.027 8.799 3.755 434 HG LEU 57 HG LEU 57 66.852 10.741 2.936 435 1HD1 LEU 57 1HD1 LEU 57 69.347 10.355 1.878 436 2HD1 LEU 57 2HD1 LEU 57 68.398 9.193 0.951 437 3HD1 LEU 57 3HD1 LEU 57 67.951 10.899 0.947 438 1HD2 LEU 57 1HD2 LEU 57 66.677 7.925 3.269 439 2HD2 LEU 57 2HD2 LEU 57 65.511 8.989 2.480 440 3HD2 LEU 57 3HD2 LEU 57 66.791 8.227 1.535 441 H GLN 58 H GLN 58 69.615 8.556 6.319 442 HA GLN 58 HA GLN 58 69.766 5.747 6.020 443 1HB GLN 58 1HB GLN 58 71.198 7.830 7.198 444 2HB GLN 58 2HB GLN 58 70.800 6.776 8.556 445 1HG GLN 58 1HG GLN 58 71.989 5.751 5.968 446 2HG GLN 58 2HG GLN 58 72.967 6.207 7.364 447 1HE2 GLN 58 2HE2 GLN 58 70.822 3.750 6.075 448 2HE2 GLN 58 1HE2 GLN 58 70.946 2.680 7.387 449 H GLU 59 H GLU 59 67.954 7.700 8.328 450 HA GLU 59 HA GLU 59 67.403 5.728 10.305 451 1HB GLU 59 1HB GLU 59 66.947 8.145 10.497 452 2HB GLU 59 2HB GLU 59 65.715 8.016 9.242 453 1HG GLU 59 1HG GLU 59 64.591 6.265 10.735 454 2HG GLU 59 2HG GLU 59 65.678 6.812 12.012 455 H MET 60 H MET 60 65.800 6.453 7.212 456 HA MET 60 HA MET 60 63.542 4.736 7.504 457 1HB MET 60 1HB MET 60 65.168 5.696 5.132 458 2HB MET 60 2HB MET 60 63.636 4.838 4.961 459 1HG MET 60 1HG MET 60 63.796 7.243 6.754 460 2HG MET 60 2HG MET 60 63.641 7.464 5.012 461 1HE MET 60 1HE MET 60 61.842 7.902 4.054 462 2HE MET 60 2HE MET 60 60.166 7.509 4.431 463 3HE MET 60 3HE MET 60 61.031 8.687 5.416 464 H ILE 61 H ILE 61 66.753 4.107 6.045 465 HA ILE 61 HA ILE 61 66.242 1.357 5.381 466 HB ILE 61 HB ILE 61 68.647 3.128 5.789 467 1HG1 ILE 61 1HG1 ILE 61 68.819 2.136 3.292 468 2HG1 ILE 61 2HG1 ILE 61 67.081 1.960 3.538 469 1HG2 ILE 61 1HG2 ILE 61 68.573 0.152 5.634 470 2HG2 ILE 61 2HG2 ILE 61 69.784 0.972 4.650 471 3HG2 ILE 61 3HG2 ILE 61 69.761 1.209 6.397 472 1HD1 ILE 61 1HD1 ILE 61 68.309 4.550 4.356 473 2HD1 ILE 61 2HD1 ILE 61 68.163 4.241 2.627 474 3HD1 ILE 61 3HD1 ILE 61 66.726 4.230 3.648 475 H ASP 62 H ASP 62 67.397 2.962 8.317 476 HA ASP 62 HA ASP 62 68.223 0.511 9.655 477 1HB ASP 62 1HB ASP 62 68.664 3.179 9.962 478 2HB ASP 62 2HB ASP 62 67.444 2.918 11.208 479 H GLU 63 H GLU 63 65.184 1.969 9.014 480 HA GLU 63 HA GLU 63 63.743 1.184 11.388 481 1HB GLU 63 1HB GLU 63 63.305 2.641 9.063 482 2HB GLU 63 2HB GLU 63 62.248 1.242 8.866 483 1HG GLU 63 1HG GLU 63 61.309 1.660 11.130 484 2HG GLU 63 2HG GLU 63 62.317 3.103 11.259 485 H VAL 64 H VAL 64 64.758 -0.522 8.500 486 HA VAL 64 HA VAL 64 63.459 -2.997 9.571 487 HB VAL 64 HB VAL 64 62.973 -3.485 7.090 488 1HG1 VAL 64 1HG1 VAL 64 61.239 -2.816 8.732 489 2HG1 VAL 64 2HG1 VAL 64 61.586 -1.121 8.393 490 3HG1 VAL 64 3HG1 VAL 64 60.910 -2.152 7.132 491 1HG2 VAL 64 1HG2 VAL 64 64.500 -1.198 6.736 492 2HG2 VAL 64 2HG2 VAL 64 63.456 -1.926 5.516 493 3HG2 VAL 64 3HG2 VAL 64 62.851 -0.610 6.521 494 H ASP 65 H ASP 65 66.176 -2.354 9.943 495 HA ASP 65 HA ASP 65 67.556 -4.122 7.948 496 1HB ASP 65 1HB ASP 65 68.034 -1.474 8.827 497 2HB ASP 65 2HB ASP 65 69.310 -2.463 9.536 498 H GLU 66 H GLU 66 67.306 -6.098 9.090 499 HA GLU 66 HA GLU 66 67.876 -6.305 11.951 500 1HB GLU 66 1HB GLU 66 66.445 -7.710 10.080 501 2HB GLU 66 2HB GLU 66 67.882 -8.720 10.248 502 1HG GLU 66 1HG GLU 66 66.109 -7.766 12.518 503 2HG GLU 66 2HG GLU 66 66.163 -9.404 11.867 504 H ASP 67 H ASP 67 69.914 -5.754 9.444 505 HA ASP 67 HA ASP 67 72.112 -7.355 10.708 506 1HB ASP 67 1HB ASP 67 72.943 -7.821 8.476 507 2HB ASP 67 2HB ASP 67 71.233 -8.256 8.520 508 H GLY 68 H GLY 68 70.959 -4.316 10.188 509 1HA GLY 68 1HA GLY 68 71.951 -2.189 9.954 510 2HA GLY 68 2HA GLY 68 73.179 -2.880 11.016 511 H SER 69 H SER 69 72.263 -3.304 7.574 512 HA SER 69 HA SER 69 75.143 -3.456 6.868 513 1HB SER 69 1HB SER 69 74.264 -4.281 4.750 514 2HB SER 69 2HB SER 69 73.398 -5.079 6.061 515 HG SER 69 HG SER 69 72.447 -3.516 4.102 516 H GLY 70 H GLY 70 72.348 -1.342 6.492 517 1HA GLY 70 1HA GLY 70 72.696 1.066 6.180 518 2HA GLY 70 2HA GLY 70 74.150 0.689 5.252 519 H THR 71 H THR 71 72.405 -1.592 4.031 520 HA THR 71 HA THR 71 70.984 0.158 2.047 521 HB THR 71 HB THR 71 71.659 -1.836 0.499 522 HG1 THR 71 HG1 THR 71 73.807 -2.129 2.237 523 1HG2 THR 71 1HG2 THR 71 73.497 0.261 1.637 524 2HG2 THR 71 2HG2 THR 71 74.059 -0.841 0.379 525 3HG2 THR 71 3HG2 THR 71 72.692 0.232 0.067 526 H VAL 72 H VAL 72 69.083 -0.846 1.055 527 HA VAL 72 HA VAL 72 67.904 -3.051 2.719 528 HB VAL 72 HB VAL 72 66.741 -0.559 1.451 529 1HG1 VAL 72 1HG1 VAL 72 65.483 -3.105 1.732 530 2HG1 VAL 72 2HG1 VAL 72 64.794 -2.029 2.948 531 3HG1 VAL 72 3HG1 VAL 72 64.747 -1.579 1.244 532 1HG2 VAL 72 1HG2 VAL 72 67.285 -1.572 4.207 533 2HG2 VAL 72 2HG2 VAL 72 67.415 0.067 3.568 534 3HG2 VAL 72 3HG2 VAL 72 65.832 -0.600 3.972 535 H ASP 73 H ASP 73 66.750 -4.677 1.571 536 HA ASP 73 HA ASP 73 67.001 -4.567 -1.418 537 1HB ASP 73 1HB ASP 73 67.510 -6.959 -1.302 538 2HB ASP 73 2HB ASP 73 68.612 -6.074 -0.244 539 H PHE 74 H PHE 74 65.492 -6.449 -2.334 540 HA PHE 74 HA PHE 74 62.795 -5.741 -1.980 541 1HB PHE 74 1HB PHE 74 64.371 -7.584 -3.428 542 2HB PHE 74 2HB PHE 74 63.120 -8.544 -2.638 543 HD1 PHE 74 HD1 PHE 74 60.977 -6.393 -2.505 544 HD2 PHE 74 HD2 PHE 74 63.576 -7.650 -5.685 545 HE1 PHE 74 HE1 PHE 74 59.318 -5.604 -4.173 546 HE2 PHE 74 HE2 PHE 74 61.919 -6.862 -7.353 547 HZ PHE 74 HZ PHE 74 59.790 -5.839 -6.598 548 H ASP 75 H ASP 75 64.817 -7.695 0.049 549 HA ASP 75 HA ASP 75 62.605 -9.124 1.355 550 1HB ASP 75 1HB ASP 75 65.494 -9.171 1.199 551 2HB ASP 75 2HB ASP 75 64.978 -9.232 2.884 552 H GLU 76 H GLU 76 65.140 -7.025 2.764 553 HA GLU 76 HA GLU 76 63.775 -6.376 5.143 554 1HB GLU 76 1HB GLU 76 65.714 -4.735 3.481 555 2HB GLU 76 2HB GLU 76 65.374 -4.477 5.192 556 1HG GLU 76 1HG GLU 76 66.064 -6.921 5.543 557 2HG GLU 76 2HG GLU 76 66.707 -6.862 3.902 558 H PHE 77 H PHE 77 63.215 -5.230 1.906 559 HA PHE 77 HA PHE 77 61.885 -2.743 2.631 560 1HB PHE 77 1HB PHE 77 62.910 -3.037 0.460 561 2HB PHE 77 2HB PHE 77 61.957 -4.489 0.153 562 HD1 PHE 77 HD1 PHE 77 59.559 -4.346 -0.362 563 HD2 PHE 77 HD2 PHE 77 61.917 -0.819 0.312 564 HE1 PHE 77 HE1 PHE 77 57.750 -2.951 -1.330 565 HE2 PHE 77 HE2 PHE 77 60.109 0.576 -0.655 566 HZ PHE 77 HZ PHE 77 58.025 -0.491 -1.476 567 H LEU 78 H LEU 78 60.722 -5.967 1.586 568 HA LEU 78 HA LEU 78 57.962 -5.540 1.576 569 1HB LEU 78 1HB LEU 78 59.823 -7.794 2.151 570 2HB LEU 78 2HB LEU 78 58.133 -8.035 2.594 571 HG LEU 78 HG LEU 78 58.911 -6.983 -0.126 572 1HD1 LEU 78 1HD1 LEU 78 59.598 -9.525 0.872 573 2HD1 LEU 78 2HD1 LEU 78 58.157 -9.782 -0.111 574 3HD1 LEU 78 3HD1 LEU 78 59.581 -9.021 -0.819 575 1HD2 LEU 78 1HD2 LEU 78 56.475 -7.457 1.260 576 2HD2 LEU 78 2HD2 LEU 78 56.679 -6.969 -0.423 577 3HD2 LEU 78 3HD2 LEU 78 56.593 -8.681 -0.005 578 H VAL 79 H VAL 79 59.910 -6.561 4.413 579 HA VAL 79 HA VAL 79 57.850 -6.589 6.341 580 HB VAL 79 HB VAL 79 60.782 -5.836 6.499 581 1HG1 VAL 79 1HG1 VAL 79 58.739 -6.406 8.655 582 2HG1 VAL 79 2HG1 VAL 79 60.473 -6.578 8.931 583 3HG1 VAL 79 3HG1 VAL 79 59.797 -5.004 8.508 584 1HG2 VAL 79 1HG2 VAL 79 59.866 -8.172 5.684 585 2HG2 VAL 79 2HG2 VAL 79 61.196 -8.108 6.840 586 3HG2 VAL 79 3HG2 VAL 79 59.554 -8.426 7.401 587 H MET 80 H MET 80 59.292 -3.881 4.724 588 HA MET 80 HA MET 80 58.660 -1.892 6.764 589 1HB MET 80 1HB MET 80 60.419 -1.930 4.829 590 2HB MET 80 2HB MET 80 59.081 -1.367 3.828 591 1HG MET 80 1HG MET 80 58.818 0.618 5.092 592 2HG MET 80 2HG MET 80 59.771 -0.013 6.436 593 1HE MET 80 1HE MET 80 59.506 0.763 2.907 594 2HE MET 80 2HE MET 80 60.943 1.666 2.440 595 3HE MET 80 3HE MET 80 60.964 -0.094 2.389 596 H MET 81 H MET 81 56.985 -3.317 4.019 597 HA MET 81 HA MET 81 54.902 -1.242 3.942 598 1HB MET 81 1HB MET 81 55.534 -3.837 2.559 599 2HB MET 81 2HB MET 81 53.936 -3.118 2.368 600 1HG MET 81 1HG MET 81 56.544 -1.667 1.832 601 2HG MET 81 2HG MET 81 55.535 -2.402 0.585 602 1HE MET 81 1HE MET 81 56.470 0.315 0.371 603 2HE MET 81 2HE MET 81 55.154 -0.017 -0.753 604 3HE MET 81 3HE MET 81 55.144 1.464 0.216 605 H VAL 82 H VAL 82 55.356 -4.435 5.375 606 HA VAL 82 HA VAL 82 52.580 -4.933 6.010 607 HB VAL 82 HB VAL 82 55.023 -5.943 7.483 608 1HG1 VAL 82 1HG1 VAL 82 52.668 -6.551 8.214 609 2HG1 VAL 82 2HG1 VAL 82 52.478 -7.364 6.661 610 3HG1 VAL 82 3HG1 VAL 82 53.699 -7.922 7.805 611 1HG2 VAL 82 1HG2 VAL 82 54.091 -6.459 4.677 612 2HG2 VAL 82 2HG2 VAL 82 55.736 -6.319 5.299 613 3HG2 VAL 82 3HG2 VAL 82 54.802 -7.785 5.598 614 H ARG 83 H ARG 83 55.114 -3.047 7.515 615 HA ARG 83 HA ARG 83 53.772 -2.875 10.124 616 1HB ARG 83 1HB ARG 83 56.207 -1.725 8.781 617 2HB ARG 83 2HB ARG 83 55.658 -1.061 10.319 618 1HG ARG 83 1HG ARG 83 55.752 -3.313 11.327 619 2HG ARG 83 2HG ARG 83 56.311 -3.975 9.790 620 1HD ARG 83 1HD ARG 83 58.439 -3.427 10.329 621 2HD ARG 83 2HD ARG 83 57.968 -1.723 10.476 622 HE ARG 83 HE ARG 83 56.985 -2.853 12.796 623 1HH1 ARG 83 1HH2 ARG 83 59.402 -0.969 12.579 624 2HH1 ARG 83 2HH2 ARG 83 60.600 -1.886 13.430 625 1HH2 ARG 83 1HH1 ARG 83 58.805 -4.849 13.303 626 2HH2 ARG 83 2HH1 ARG 83 60.264 -4.083 13.835 627 H CYS 84 H CYS 84 53.342 -1.358 7.108 628 HA CYS 84 HA CYS 84 52.138 1.056 8.423 629 1HB CYS 84 1HB CYS 84 54.153 1.201 6.804 630 2HB CYS 84 2HB CYS 84 52.993 0.801 5.537 631 HG CYS 84 HG CYS 84 53.299 3.517 6.760 632 H MET 85 H MET 85 51.209 -1.844 7.251 633 HA MET 85 HA MET 85 48.661 -0.725 6.136 634 1HB MET 85 1HB MET 85 50.334 -3.072 5.187 635 2HB MET 85 2HB MET 85 48.730 -2.686 4.564 636 1HG MET 85 1HG MET 85 50.045 -0.258 4.403 637 2HG MET 85 2HG MET 85 51.310 -1.414 3.987 638 1HE MET 85 1HE MET 85 49.700 -3.760 3.043 639 2HE MET 85 2HE MET 85 49.444 -3.594 1.308 640 3HE MET 85 3HE MET 85 51.035 -3.268 1.991 641 H LYS 86 H LYS 86 49.327 -4.150 6.356 642 HA LYS 86 HA LYS 86 48.131 -5.813 7.556 643 1HB LYS 86 1HB LYS 86 49.870 -4.370 9.084 644 2HB LYS 86 2HB LYS 86 48.378 -4.153 10.000 645 1HG LYS 86 1HG LYS 86 49.407 -6.851 9.081 646 2HG LYS 86 2HG LYS 86 49.711 -6.179 10.684 647 1HD LYS 86 1HD LYS 86 47.399 -6.199 11.247 648 2HD LYS 86 2HD LYS 86 46.917 -6.463 9.572 649 1HE LYS 86 1HE LYS 86 48.353 -8.436 11.382 650 2HE LYS 86 2HE LYS 86 46.724 -8.597 10.696 651 1HZ LYS 86 1HZ LYS 86 47.979 -8.176 8.477 652 2HZ LYS 86 2HZ LYS 86 49.331 -8.734 9.340 653 3HZ LYS 86 3HZ LYS 86 47.968 -9.731 9.151 654 H ASP 87 H ASP 87 46.235 -4.334 6.292 655 HA ASP 87 HA ASP 87 44.217 -3.704 8.425 656 1HB ASP 87 1HB ASP 87 43.291 -2.141 6.691 657 2HB ASP 87 2HB ASP 87 44.941 -1.738 7.169 658 H ASP 88 H ASP 88 42.694 -5.316 8.480 659 HA ASP 88 HA ASP 88 42.161 -6.903 6.015 660 1HB ASP 88 1HB ASP 88 42.412 -7.409 8.796 661 2HB ASP 88 2HB ASP 88 40.729 -7.735 8.377 662 H SER 89 H SER 89 41.029 -4.077 7.033 663 HA SER 89 HA SER 89 38.222 -4.343 7.409 664 1HB SER 89 1HB SER 89 39.459 -2.283 7.799 665 2HB SER 89 2HB SER 89 39.925 -2.198 6.103 666 HG SER 89 HG SER 89 37.371 -1.878 7.278 667 1H ARG 1 1H ARG 1 57.695 10.308 6.782 668 2H ARG 1 2H ARG 1 58.364 9.863 8.279 669 3H ARG 1 3H ARG 1 59.310 9.797 6.870 670 HA ARG 1 HA ARG 1 58.759 7.580 7.129 671 1HB ARG 1 1HB ARG 1 56.250 8.828 8.250 672 2HB ARG 1 2HB ARG 1 56.312 7.106 7.871 673 1HG ARG 1 1HG ARG 1 57.687 6.640 9.625 674 2HG ARG 1 2HG ARG 1 58.626 8.118 9.404 675 1HD ARG 1 1HD ARG 1 57.316 8.107 11.552 676 2HD ARG 1 2HD ARG 1 56.844 9.438 10.475 677 HE ARG 1 HE ARG 1 54.887 8.104 9.793 678 1HH1 ARG 1 1HH1 ARG 1 56.189 5.451 10.675 679 2HH1 ARG 1 2HH1 ARG 1 55.208 5.058 12.048 680 1HH2 ARG 1 1HH2 ARG 1 53.851 8.238 12.322 681 2HH2 ARG 1 2HH2 ARG 1 53.885 6.636 12.980 682 H ILE 2 H ILE 2 58.098 6.328 5.365 683 HA ILE 2 HA ILE 2 57.173 7.648 2.984 684 HB ILE 2 HB ILE 2 57.185 4.700 3.710 685 1HG1 ILE 2 1HG1 ILE 2 59.376 6.543 2.713 686 2HG1 ILE 2 2HG1 ILE 2 59.369 5.602 4.204 687 1HG2 ILE 2 1HG2 ILE 2 56.489 6.149 1.332 688 2HG2 ILE 2 2HG2 ILE 2 57.967 5.237 1.026 689 3HG2 ILE 2 3HG2 ILE 2 56.515 4.403 1.583 690 1HD1 ILE 2 1HD1 ILE 2 59.302 3.513 2.861 691 2HD1 ILE 2 2HD1 ILE 2 59.389 4.480 1.388 692 3HD1 ILE 2 3HD1 ILE 2 60.742 4.473 2.520 693 H SER 3 H SER 3 55.091 8.030 2.313 694 HA SER 3 HA SER 3 52.840 7.426 4.047 695 1HB SER 3 1HB SER 3 53.521 9.068 1.793 696 2HB SER 3 2HB SER 3 52.030 8.205 1.425 697 HG SER 3 HG SER 3 51.803 8.987 3.909 698 H ALA 4 H ALA 4 50.790 6.453 2.842 699 HA ALA 4 HA ALA 4 51.658 3.877 1.577 700 1HB ALA 4 1HB ALA 4 49.457 4.710 3.456 701 2HB ALA 4 2HB ALA 4 49.287 3.241 2.495 702 3HB ALA 4 3HB ALA 4 50.624 3.399 3.633 703 H ASP 5 H ASP 5 48.918 6.196 1.602 704 HA ASP 5 HA ASP 5 47.998 5.240 -1.028 705 1HB ASP 5 1HB ASP 5 46.844 6.343 1.217 706 2HB ASP 5 2HB ASP 5 46.881 7.718 0.112 707 H ALA 6 H ALA 6 49.595 8.121 0.327 708 HA ALA 6 HA ALA 6 49.499 9.751 -2.024 709 1HB ALA 6 1HB ALA 6 50.155 10.216 0.467 710 2HB ALA 6 2HB ALA 6 51.772 9.730 -0.044 711 3HB ALA 6 3HB ALA 6 50.986 11.114 -0.804 712 H MET 7 H MET 7 51.675 7.158 -1.016 713 HA MET 7 HA MET 7 53.864 7.555 -2.745 714 1HB MET 7 1HB MET 7 52.672 5.496 -1.122 715 2HB MET 7 2HB MET 7 53.239 4.783 -2.633 716 1HG MET 7 1HG MET 7 55.261 6.578 -1.842 717 2HG MET 7 2HG MET 7 54.787 5.719 -0.376 718 1HE MET 7 1HE MET 7 56.713 5.891 -3.404 719 2HE MET 7 2HE MET 7 57.044 4.265 -3.995 720 3HE MET 7 3HE MET 7 55.463 5.006 -4.274 721 H MET 8 H MET 8 50.642 6.269 -3.440 722 HA MET 8 HA MET 8 51.368 5.420 -6.161 723 1HB MET 8 1HB MET 8 49.047 5.350 -4.307 724 2HB MET 8 2HB MET 8 48.662 5.334 -6.028 725 1HG MET 8 1HG MET 8 48.907 3.046 -5.466 726 2HG MET 8 2HG MET 8 50.440 3.475 -6.222 727 1HE MET 8 1HE MET 8 52.480 4.335 -4.922 728 2HE MET 8 2HE MET 8 53.071 3.212 -3.700 729 3HE MET 8 3HE MET 8 52.535 2.599 -5.263 730 H GLN 9 H GLN 9 49.697 8.149 -4.618 731 HA GLN 9 HA GLN 9 48.562 9.352 -6.931 732 1HB GLN 9 1HB GLN 9 49.031 9.912 -4.166 733 2HB GLN 9 2HB GLN 9 49.524 11.328 -5.095 734 1HG GLN 9 1HG GLN 9 47.284 11.811 -4.935 735 2HG GLN 9 2HG GLN 9 47.216 10.781 -6.365 736 1HE2 GLN 9 2HE2 GLN 9 47.355 10.233 -2.787 737 2HE2 GLN 9 1HE2 GLN 9 46.118 9.069 -2.777 738 H ALA 10 H ALA 10 51.734 10.011 -5.383 739 HA ALA 10 HA ALA 10 52.603 11.820 -7.477 740 1HB ALA 10 1HB ALA 10 53.690 10.482 -5.044 741 2HB ALA 10 2HB ALA 10 54.865 11.098 -6.207 742 3HB ALA 10 3HB ALA 10 53.689 12.191 -5.475 743 H LEU 11 H LEU 11 53.669 8.504 -6.599 744 HA LEU 11 HA LEU 11 54.331 8.076 -9.490 745 1HB LEU 11 1HB LEU 11 56.310 6.716 -8.511 746 2HB LEU 11 2HB LEU 11 56.431 8.473 -8.470 747 HG LEU 11 HG LEU 11 55.083 7.500 -6.094 748 1HD1 LEU 11 1HD1 LEU 11 57.529 6.072 -6.992 749 2HD1 LEU 11 2HD1 LEU 11 57.512 6.607 -5.312 750 3HD1 LEU 11 3HD1 LEU 11 56.245 5.533 -5.909 751 1HD2 LEU 11 1HD2 LEU 11 57.640 9.010 -6.691 752 2HD2 LEU 11 2HD2 LEU 11 56.092 9.686 -6.188 753 3HD2 LEU 11 3HD2 LEU 11 57.049 8.734 -5.053 754 H LEU 12 H LEU 12 54.937 5.503 -9.605 755 HA LEU 12 HA LEU 12 54.020 3.325 -9.549 756 1HB LEU 12 1HB LEU 12 53.531 4.485 -6.813 757 2HB LEU 12 2HB LEU 12 52.937 2.873 -7.203 758 HG LEU 12 HG LEU 12 55.127 2.049 -7.616 759 1HD1 LEU 12 1HD1 LEU 12 55.885 4.969 -7.723 760 2HD1 LEU 12 2HD1 LEU 12 57.098 3.713 -7.493 761 3HD1 LEU 12 3HD1 LEU 12 56.118 3.734 -8.958 762 1HD2 LEU 12 1HD2 LEU 12 54.622 3.605 -5.188 763 2HD2 LEU 12 2HD2 LEU 12 55.302 1.987 -5.358 764 3HD2 LEU 12 3HD2 LEU 12 56.342 3.403 -5.514 765 H GLY 13 H GLY 13 51.738 2.201 -8.953 766 1HA GLY 13 1HA GLY 13 49.282 2.892 -8.699 767 2HA GLY 13 2HA GLY 13 49.625 4.051 -9.984 768 H ALA 14 H ALA 14 47.663 1.923 -10.117 769 HA ALA 14 HA ALA 14 48.757 -0.240 -11.756 770 1HB ALA 14 1HB ALA 14 46.289 0.539 -10.424 771 2HB ALA 14 2HB ALA 14 45.967 -0.093 -12.040 772 3HB ALA 14 3HB ALA 14 46.849 -1.074 -10.868 773 H ARG 15 H ARG 15 48.794 -0.314 -14.002 774 HA ARG 15 HA ARG 15 47.166 1.484 -15.639 775 1HB ARG 15 1HB ARG 15 49.823 2.215 -14.703 776 2HB ARG 15 2HB ARG 15 49.763 2.166 -16.465 777 1HG ARG 15 1HG ARG 15 47.900 3.698 -16.519 778 2HG ARG 15 2HG ARG 15 47.711 3.610 -14.768 779 1HD ARG 15 1HD ARG 15 50.391 4.354 -15.134 780 2HD ARG 15 2HD ARG 15 49.486 5.316 -16.321 781 HE ARG 15 HE ARG 15 47.899 5.536 -14.111 782 1HH1 ARG 15 1HH1 ARG 15 51.058 4.975 -13.368 783 2HH1 ARG 15 2HH1 ARG 15 51.382 6.522 -12.659 784 1HH2 ARG 15 1HH2 ARG 15 48.402 7.933 -13.736 785 2HH2 ARG 15 2HH2 ARG 15 49.876 8.197 -12.866 786 H ALA 16 H ALA 16 50.393 -0.051 -16.002 787 HA ALA 16 HA ALA 16 49.220 -1.716 -18.210 788 1HB ALA 16 1HB ALA 16 51.477 0.145 -18.053 789 2HB ALA 16 2HB ALA 16 51.943 -1.430 -18.699 790 3HB ALA 16 3HB ALA 16 50.660 -0.503 -19.476 791 H LYS 17 H LYS 17 51.210 -1.604 -15.342 792 HA LYS 17 HA LYS 17 51.563 -4.573 -15.535 793 1HB LYS 17 1HB LYS 17 53.631 -3.412 -16.186 794 2HB LYS 17 2HB LYS 17 53.587 -2.471 -14.695 795 1HG LYS 17 1HG LYS 17 53.997 -4.383 -13.347 796 2HG LYS 17 2HG LYS 17 53.629 -5.491 -14.671 797 1HD LYS 17 1HD LYS 17 55.874 -5.557 -14.989 798 2HD LYS 17 2HD LYS 17 55.663 -3.973 -15.739 799 1HE LYS 17 1HE LYS 17 56.221 -2.831 -13.697 800 2HE LYS 17 2HE LYS 17 56.147 -4.339 -12.765 801 1HZ LYS 17 1HZ LYS 17 57.906 -4.156 -15.119 802 2HZ LYS 17 2HZ LYS 17 58.427 -3.510 -13.640 803 3HZ LYS 17 3HZ LYS 17 58.040 -5.160 -13.755 Start of MODEL 35 1 1H MET 1 1H MET 1 55.228 -17.509 15.797 2 2H MET 1 2H MET 1 54.330 -18.581 16.762 3 3H MET 1 3H MET 1 53.796 -16.985 16.547 4 HA MET 1 HA MET 1 54.755 -16.943 18.665 5 1HB MET 1 1HB MET 1 56.389 -19.008 17.322 6 2HB MET 1 2HB MET 1 57.262 -18.038 18.508 7 1HG MET 1 1HG MET 1 54.743 -18.655 19.656 8 2HG MET 1 2HG MET 1 55.369 -20.154 18.970 9 1HE MET 1 1HE MET 1 54.968 -20.496 21.713 10 2HE MET 1 2HE MET 1 56.070 -19.850 22.927 11 3HE MET 1 3HE MET 1 54.935 -18.774 22.116 12 H ASP 2 H ASP 2 54.979 -14.696 18.307 13 HA ASP 2 HA ASP 2 56.173 -12.685 17.958 14 1HB ASP 2 1HB ASP 2 57.844 -14.343 19.144 15 2HB ASP 2 2HB ASP 2 58.634 -14.367 17.569 16 H ASP 3 H ASP 3 58.127 -11.934 16.252 17 HA ASP 3 HA ASP 3 58.513 -11.462 13.968 18 1HB ASP 3 1HB ASP 3 58.452 -14.343 14.461 19 2HB ASP 3 2HB ASP 3 58.078 -13.947 12.782 20 H ILE 4 H ILE 4 56.127 -10.455 14.436 21 HA ILE 4 HA ILE 4 53.940 -11.774 13.009 22 HB ILE 4 HB ILE 4 52.715 -9.810 13.697 23 1HG1 ILE 4 1HG1 ILE 4 55.353 -8.507 14.417 24 2HG1 ILE 4 2HG1 ILE 4 54.543 -8.227 12.875 25 1HG2 ILE 4 1HG2 ILE 4 54.039 -11.431 15.452 26 2HG2 ILE 4 2HG2 ILE 4 54.601 -9.842 15.974 27 3HG2 ILE 4 3HG2 ILE 4 52.874 -10.199 15.936 28 1HD1 ILE 4 1HD1 ILE 4 53.059 -7.875 15.472 29 2HD1 ILE 4 2HD1 ILE 4 54.066 -6.577 14.828 30 3HD1 ILE 4 3HD1 ILE 4 52.698 -7.180 13.891 31 H TYR 5 H TYR 5 56.437 -9.434 12.248 32 HA TYR 5 HA TYR 5 55.203 -8.354 9.857 33 1HB TYR 5 1HB TYR 5 58.088 -8.527 10.790 34 2HB TYR 5 2HB TYR 5 57.498 -7.467 9.511 35 HD1 TYR 5 HD1 TYR 5 55.644 -5.784 10.098 36 HD2 TYR 5 HD2 TYR 5 57.971 -7.861 13.053 37 HE1 TYR 5 HE1 TYR 5 55.003 -4.091 11.793 38 HE2 TYR 5 HE2 TYR 5 57.329 -6.168 14.748 39 HH TYR 5 HH TYR 5 55.644 -3.238 13.871 40 H LYS 6 H LYS 6 57.934 -10.654 10.282 41 HA LYS 6 HA LYS 6 58.293 -11.372 7.587 42 1HB LYS 6 1HB LYS 6 58.931 -12.356 10.250 43 2HB LYS 6 2HB LYS 6 58.685 -13.690 9.122 44 1HG LYS 6 1HG LYS 6 60.370 -11.333 8.312 45 2HG LYS 6 2HG LYS 6 61.064 -12.614 9.308 46 1HD LYS 6 1HD LYS 6 61.086 -14.105 7.594 47 2HD LYS 6 2HD LYS 6 59.507 -13.585 7.001 48 1HE LYS 6 1HE LYS 6 61.398 -11.445 6.606 49 2HE LYS 6 2HE LYS 6 62.040 -12.939 5.895 50 1HZ LYS 6 1HZ LYS 6 59.719 -13.291 5.003 51 2HZ LYS 6 2HZ LYS 6 59.405 -11.672 5.409 52 3HZ LYS 6 3HZ LYS 6 60.611 -12.048 4.272 53 H ALA 7 H ALA 7 55.749 -12.328 9.816 54 HA ALA 7 HA ALA 7 54.805 -14.588 8.232 55 1HB ALA 7 1HB ALA 7 53.713 -12.907 10.501 56 2HB ALA 7 2HB ALA 7 52.815 -14.263 9.818 57 3HB ALA 7 3HB ALA 7 54.377 -14.539 10.589 58 H ALA 8 H ALA 8 53.629 -11.244 8.764 59 HA ALA 8 HA ALA 8 51.369 -11.277 7.091 60 1HB ALA 8 1HB ALA 8 52.911 -9.448 8.540 61 2HB ALA 8 2HB ALA 8 52.943 -8.829 6.889 62 3HB ALA 8 3HB ALA 8 51.401 -9.096 7.701 63 H VAL 9 H VAL 9 54.737 -11.410 6.211 64 HA VAL 9 HA VAL 9 54.310 -10.514 3.442 65 HB VAL 9 HB VAL 9 56.669 -11.908 4.747 66 1HG1 VAL 9 1HG1 VAL 9 56.126 -10.882 2.100 67 2HG1 VAL 9 2HG1 VAL 9 57.450 -9.980 2.837 68 3HG1 VAL 9 3HG1 VAL 9 57.556 -11.733 2.685 69 1HG2 VAL 9 1HG2 VAL 9 55.507 -9.332 5.281 70 2HG2 VAL 9 2HG2 VAL 9 56.962 -10.043 5.981 71 3HG2 VAL 9 3HG2 VAL 9 57.069 -9.101 4.494 72 H GLU 10 H GLU 10 55.448 -13.598 4.895 73 HA GLU 10 HA GLU 10 55.298 -15.213 2.602 74 1HB GLU 10 1HB GLU 10 55.085 -15.578 5.560 75 2HB GLU 10 2HB GLU 10 54.668 -16.957 4.539 76 1HG GLU 10 1HG GLU 10 56.848 -16.775 3.397 77 2HG GLU 10 2HG GLU 10 57.269 -15.398 4.416 78 H GLN 11 H GLN 11 52.700 -13.892 4.518 79 HA GLN 11 HA GLN 11 50.708 -15.737 3.297 80 1HB GLN 11 1HB GLN 11 50.429 -13.513 5.342 81 2HB GLN 11 2HB GLN 11 49.218 -14.738 4.963 82 1HG GLN 11 1HG GLN 11 51.572 -16.174 5.521 83 2HG GLN 11 2HG GLN 11 51.490 -14.917 6.756 84 1HE2 GLN 11 2HE2 GLN 11 49.142 -14.682 7.743 85 2HE2 GLN 11 1HE2 GLN 11 48.330 -16.137 8.065 86 H LEU 12 H LEU 12 52.056 -13.808 1.571 87 HA LEU 12 HA LEU 12 50.061 -11.659 1.132 88 1HB LEU 12 1HB LEU 12 52.819 -12.375 0.168 89 2HB LEU 12 2HB LEU 12 51.859 -11.209 -0.743 90 HG LEU 12 HG LEU 12 52.429 -10.998 2.227 91 1HD1 LEU 12 1HD1 LEU 12 53.673 -9.533 -0.121 92 2HD1 LEU 12 2HD1 LEU 12 53.980 -9.187 1.581 93 3HD1 LEU 12 3HD1 LEU 12 54.485 -10.729 0.891 94 1HD2 LEU 12 1HD2 LEU 12 50.525 -9.749 0.514 95 2HD2 LEU 12 2HD2 LEU 12 50.877 -9.366 2.199 96 3HD2 LEU 12 3HD2 LEU 12 51.749 -8.541 0.907 97 H THR 13 H THR 13 49.749 -11.319 -1.438 98 HA THR 13 HA THR 13 48.806 -13.955 -2.520 99 HB THR 13 HB THR 13 47.352 -12.095 -3.836 100 HG1 THR 13 HG1 THR 13 47.733 -10.975 -1.272 101 1HG2 THR 13 1HG2 THR 13 46.575 -14.004 -2.376 102 2HG2 THR 13 2HG2 THR 13 46.731 -12.922 -0.992 103 3HG2 THR 13 3HG2 THR 13 45.577 -12.554 -2.274 104 H GLU 14 H GLU 14 48.477 -13.571 -5.093 105 HA GLU 14 HA GLU 14 51.137 -13.257 -6.197 106 1HB GLU 14 1HB GLU 14 48.432 -14.055 -7.004 107 2HB GLU 14 2HB GLU 14 49.312 -13.229 -8.289 108 1HG GLU 14 1HG GLU 14 51.155 -14.787 -8.119 109 2HG GLU 14 2HG GLU 14 50.446 -15.538 -6.689 110 H GLU 15 H GLU 15 48.110 -11.427 -6.819 111 HA GLU 15 HA GLU 15 49.310 -9.320 -8.311 112 1HB GLU 15 1HB GLU 15 46.916 -9.796 -8.268 113 2HB GLU 15 2HB GLU 15 46.846 -9.432 -6.543 114 1HG GLU 15 1HG GLU 15 46.183 -7.381 -7.343 115 2HG GLU 15 2HG GLU 15 47.927 -7.128 -7.396 116 H GLN 16 H GLN 16 48.301 -9.300 -4.860 117 HA GLN 16 HA GLN 16 49.206 -6.799 -4.073 118 1HB GLN 16 1HB GLN 16 48.059 -8.335 -2.589 119 2HB GLN 16 2HB GLN 16 49.393 -9.487 -2.679 120 1HG GLN 16 1HG GLN 16 50.817 -8.137 -1.390 121 2HG GLN 16 2HG GLN 16 49.878 -6.679 -1.711 122 1HE2 GLN 16 2HE2 GLN 16 49.700 -6.336 0.664 123 2HE2 GLN 16 1HE2 GLN 16 48.602 -7.257 1.574 124 H LYS 17 H LYS 17 51.211 -9.780 -3.961 125 HA LYS 17 HA LYS 17 53.657 -8.771 -3.173 126 1HB LYS 17 1HB LYS 17 52.625 -10.974 -4.753 127 2HB LYS 17 2HB LYS 17 54.197 -10.461 -5.365 128 1HG LYS 17 1HG LYS 17 55.246 -11.392 -3.605 129 2HG LYS 17 2HG LYS 17 54.229 -10.493 -2.476 130 1HD LYS 17 1HD LYS 17 52.551 -12.184 -2.479 131 2HD LYS 17 2HD LYS 17 53.246 -12.975 -3.894 132 1HE LYS 17 1HE LYS 17 55.232 -13.620 -2.598 133 2HE LYS 17 2HE LYS 17 54.591 -12.774 -1.174 134 1HZ LYS 17 1HZ LYS 17 53.025 -14.830 -2.618 135 2HZ LYS 17 2HZ LYS 17 54.077 -15.240 -1.348 136 3HZ LYS 17 3HZ LYS 17 52.761 -14.210 -1.059 137 H ASN 18 H ASN 18 52.442 -8.763 -6.546 138 HA ASN 18 HA ASN 18 54.643 -7.338 -7.683 139 1HB ASN 18 1HB ASN 18 51.709 -7.591 -8.410 140 2HB ASN 18 2HB ASN 18 52.916 -6.877 -9.480 141 1HD2 ASN 18 2HD2 ASN 18 51.642 -9.892 -8.259 142 2HD2 ASN 18 1HD2 ASN 18 52.695 -10.913 -9.115 143 H GLU 19 H GLU 19 51.869 -6.274 -5.828 144 HA GLU 19 HA GLU 19 51.740 -3.538 -6.612 145 1HB GLU 19 1HB GLU 19 50.295 -5.086 -5.035 146 2HB GLU 19 2HB GLU 19 51.357 -4.457 -3.774 147 1HG GLU 19 1HG GLU 19 50.540 -2.310 -3.960 148 2HG GLU 19 2HG GLU 19 50.169 -2.487 -5.676 149 H PHE 20 H PHE 20 53.393 -4.920 -3.738 150 HA PHE 20 HA PHE 20 54.800 -2.574 -2.987 151 1HB PHE 20 1HB PHE 20 55.371 -5.539 -2.715 152 2HB PHE 20 2HB PHE 20 56.325 -4.304 -1.893 153 HD1 PHE 20 HD1 PHE 20 54.605 -2.352 -0.873 154 HD2 PHE 20 HD2 PHE 20 53.799 -6.547 -1.327 155 HE1 PHE 20 HE1 PHE 20 52.893 -2.217 0.916 156 HE2 PHE 20 HE2 PHE 20 52.087 -6.411 0.463 157 HZ PHE 20 HZ PHE 20 51.635 -4.246 1.584 158 H LYS 21 H LYS 21 55.486 -4.991 -5.458 159 HA LYS 21 HA LYS 21 58.222 -4.532 -5.962 160 1HB LYS 21 1HB LYS 21 55.881 -5.650 -7.261 161 2HB LYS 21 2HB LYS 21 56.919 -4.850 -8.441 162 1HG LYS 21 1HG LYS 21 58.313 -6.523 -6.430 163 2HG LYS 21 2HG LYS 21 57.319 -7.397 -7.595 164 1HD LYS 21 1HD LYS 21 58.475 -6.083 -9.424 165 2HD LYS 21 2HD LYS 21 59.584 -5.479 -8.193 166 1HE LYS 21 1HE LYS 21 60.551 -7.585 -7.839 167 2HE LYS 21 2HE LYS 21 59.133 -8.448 -8.470 168 1HZ LYS 21 1HZ LYS 21 59.781 -6.917 -10.557 169 2HZ LYS 21 2HZ LYS 21 61.325 -7.199 -9.906 170 3HZ LYS 21 3HZ LYS 21 60.339 -8.506 -10.357 171 H ALA 22 H ALA 22 55.384 -2.774 -7.252 172 HA ALA 22 HA ALA 22 56.617 -0.981 -9.004 173 1HB ALA 22 1HB ALA 22 54.307 -0.813 -7.075 174 2HB ALA 22 2HB ALA 22 54.732 0.579 -8.071 175 3HB ALA 22 3HB ALA 22 54.269 -0.942 -8.833 176 H ALA 23 H ALA 23 56.059 -0.429 -5.501 177 HA ALA 23 HA ALA 23 57.542 2.013 -5.341 178 1HB ALA 23 1HB ALA 23 55.869 0.728 -3.737 179 2HB ALA 23 2HB ALA 23 57.357 0.051 -3.075 180 3HB ALA 23 3HB ALA 23 57.098 1.794 -3.058 181 H PHE 24 H PHE 24 58.496 -1.382 -4.762 182 HA PHE 24 HA PHE 24 61.176 -0.864 -3.907 183 1HB PHE 24 1HB PHE 24 60.190 -3.006 -3.543 184 2HB PHE 24 2HB PHE 24 59.749 -3.173 -5.243 185 HD1 PHE 24 HD1 PHE 24 62.961 -2.100 -3.642 186 HD2 PHE 24 HD2 PHE 24 60.950 -5.003 -6.089 187 HE1 PHE 24 HE1 PHE 24 65.128 -3.216 -4.101 188 HE2 PHE 24 HE2 PHE 24 63.117 -6.118 -6.546 189 HZ PHE 24 HZ PHE 24 65.206 -5.225 -5.553 190 H ASP 25 H ASP 25 59.785 -1.417 -7.144 191 HA ASP 25 HA ASP 25 62.217 -1.507 -8.625 192 1HB ASP 25 1HB ASP 25 59.612 -1.851 -9.152 193 2HB ASP 25 2HB ASP 25 59.774 -0.196 -9.740 194 H ILE 26 H ILE 26 60.119 1.268 -7.784 195 HA ILE 26 HA ILE 26 61.731 3.242 -9.143 196 HB ILE 26 HB ILE 26 59.552 3.194 -7.064 197 1HG1 ILE 26 1HG1 ILE 26 58.767 4.814 -9.115 198 2HG1 ILE 26 2HG1 ILE 26 59.863 3.720 -9.960 199 1HG2 ILE 26 1HG2 ILE 26 60.987 5.671 -8.075 200 2HG2 ILE 26 2HG2 ILE 26 59.521 5.665 -7.095 201 3HG2 ILE 26 3HG2 ILE 26 61.033 5.059 -6.422 202 1HD1 ILE 26 1HD1 ILE 26 57.733 2.687 -8.085 203 2HD1 ILE 26 2HD1 ILE 26 57.395 2.999 -9.788 204 3HD1 ILE 26 3HD1 ILE 26 58.612 1.805 -9.335 205 H PHE 27 H PHE 27 61.580 2.107 -5.764 206 HA PHE 27 HA PHE 27 63.350 3.972 -4.585 207 1HB PHE 27 1HB PHE 27 62.949 1.015 -4.023 208 2HB PHE 27 2HB PHE 27 63.616 2.188 -2.890 209 HD1 PHE 27 HD1 PHE 27 61.525 4.312 -4.315 210 HD2 PHE 27 HD2 PHE 27 61.239 0.616 -2.141 211 HE1 PHE 27 HE1 PHE 27 59.232 4.916 -3.590 212 HE2 PHE 27 HE2 PHE 27 58.946 1.223 -1.416 213 HZ PHE 27 HZ PHE 27 57.942 3.371 -2.140 214 H VAL 28 H VAL 28 64.033 1.505 -6.906 215 HA VAL 28 HA VAL 28 66.965 1.794 -6.339 216 HB VAL 28 HB VAL 28 67.156 -0.510 -7.139 217 1HG1 VAL 28 1HG1 VAL 28 65.744 0.317 -4.817 218 2HG1 VAL 28 2HG1 VAL 28 64.930 -1.122 -5.431 219 3HG1 VAL 28 3HG1 VAL 28 66.652 -1.177 -5.051 220 1HG2 VAL 28 1HG2 VAL 28 64.899 0.025 -8.583 221 2HG2 VAL 28 2HG2 VAL 28 65.516 -1.601 -8.289 222 3HG2 VAL 28 3HG2 VAL 28 64.235 -0.946 -7.269 223 H LEU 29 H LEU 29 65.051 3.322 -8.195 224 HA LEU 29 HA LEU 29 65.470 2.592 -10.913 225 1HB LEU 29 1HB LEU 29 64.040 4.442 -9.633 226 2HB LEU 29 2HB LEU 29 65.418 5.459 -10.049 227 HG LEU 29 HG LEU 29 64.048 3.728 -12.109 228 1HD1 LEU 29 1HD1 LEU 29 62.849 5.873 -10.743 229 2HD1 LEU 29 2HD1 LEU 29 63.390 6.548 -12.279 230 3HD1 LEU 29 3HD1 LEU 29 62.311 5.154 -12.260 231 1HD2 LEU 29 1HD2 LEU 29 66.274 5.598 -12.030 232 2HD2 LEU 29 2HD2 LEU 29 65.778 4.515 -13.331 233 3HD2 LEU 29 3HD2 LEU 29 65.055 6.118 -13.192 234 H GLY 30 H GLY 30 67.673 1.964 -11.244 235 1HA GLY 30 1HA GLY 30 69.600 3.152 -12.411 236 2HA GLY 30 2HA GLY 30 69.667 4.178 -10.977 237 H ALA 31 H ALA 31 69.252 2.180 -9.005 238 HA ALA 31 HA ALA 31 71.786 1.302 -8.330 239 1HB ALA 31 1HB ALA 31 69.595 1.167 -7.049 240 2HB ALA 31 2HB ALA 31 69.247 -0.309 -7.950 241 3HB ALA 31 3HB ALA 31 70.641 -0.242 -6.871 242 H GLU 32 H GLU 32 73.218 -0.043 -9.338 243 HA GLU 32 HA GLU 32 72.912 -1.410 -11.727 244 1HB GLU 32 1HB GLU 32 74.933 -1.008 -10.115 245 2HB GLU 32 2HB GLU 32 74.498 -2.582 -9.448 246 1HG GLU 32 1HG GLU 32 74.475 -3.317 -11.979 247 2HG GLU 32 2HG GLU 32 75.506 -1.902 -12.191 248 H ASP 33 H ASP 33 72.911 -3.182 -8.610 249 HA ASP 33 HA ASP 33 71.563 -5.477 -9.765 250 1HB ASP 33 1HB ASP 33 73.032 -4.788 -7.464 251 2HB ASP 33 2HB ASP 33 71.442 -5.271 -6.872 252 H GLY 34 H GLY 34 70.441 -3.702 -6.885 253 1HA GLY 34 1HA GLY 34 68.081 -2.560 -7.740 254 2HA GLY 34 2HA GLY 34 67.662 -4.266 -7.569 255 H CYS 35 H CYS 35 69.942 -2.421 -5.575 256 HA CYS 35 HA CYS 35 68.206 -3.034 -3.208 257 1HB CYS 35 1HB CYS 35 71.178 -2.446 -3.321 258 2HB CYS 35 2HB CYS 35 70.279 -3.132 -1.966 259 HG CYS 35 HG CYS 35 71.489 -5.036 -3.443 260 H ILE 36 H ILE 36 67.541 -1.308 -1.939 261 HA ILE 36 HA ILE 36 67.920 1.401 -2.958 262 HB ILE 36 HB ILE 36 66.645 0.330 -0.420 263 1HG1 ILE 36 1HG1 ILE 36 65.190 1.148 -2.927 264 2HG1 ILE 36 2HG1 ILE 36 65.854 -0.480 -2.784 265 1HG2 ILE 36 1HG2 ILE 36 66.324 2.963 -1.893 266 2HG2 ILE 36 2HG2 ILE 36 65.362 2.453 -0.505 267 3HG2 ILE 36 3HG2 ILE 36 67.092 2.741 -0.321 268 1HD1 ILE 36 1HD1 ILE 36 64.645 -0.484 -0.459 269 2HD1 ILE 36 2HD1 ILE 36 63.693 0.828 -1.153 270 3HD1 ILE 36 3HD1 ILE 36 63.697 -0.760 -1.920 271 H SER 37 H SER 37 68.811 3.159 -1.652 272 HA SER 37 HA SER 37 70.525 2.503 0.661 273 1HB SER 37 1HB SER 37 71.476 3.127 -2.117 274 2HB SER 37 2HB SER 37 72.460 3.584 -0.732 275 HG SER 37 HG SER 37 72.643 1.352 -1.798 276 H THR 38 H THR 38 68.259 4.262 0.027 277 HA THR 38 HA THR 38 67.566 6.427 0.687 278 HB THR 38 HB THR 38 68.985 7.651 2.065 279 HG1 THR 38 HG1 THR 38 71.388 7.305 1.687 280 1HG2 THR 38 1HG2 THR 38 69.130 4.901 2.331 281 2HG2 THR 38 2HG2 THR 38 70.822 5.398 2.387 282 3HG2 THR 38 3HG2 THR 38 69.664 6.080 3.529 283 H LYS 39 H LYS 39 70.704 6.533 -1.060 284 HA LYS 39 HA LYS 39 70.353 8.919 -2.488 285 1HB LYS 39 1HB LYS 39 71.507 6.264 -3.419 286 2HB LYS 39 2HB LYS 39 71.880 7.841 -4.117 287 1HG LYS 39 1HG LYS 39 73.228 8.445 -2.372 288 2HG LYS 39 2HG LYS 39 72.222 7.622 -1.180 289 1HD LYS 39 1HD LYS 39 74.285 6.402 -1.278 290 2HD LYS 39 2HD LYS 39 73.088 5.429 -2.134 291 1HE LYS 39 1HE LYS 39 73.890 6.524 -4.288 292 2HE LYS 39 2HE LYS 39 75.238 7.193 -3.346 293 1HZ LYS 39 1HZ LYS 39 75.368 4.744 -2.481 294 2HZ LYS 39 2HZ LYS 39 74.615 4.391 -3.962 295 3HZ LYS 39 3HZ LYS 39 76.116 5.179 -3.942 296 H GLU 40 H GLU 40 68.945 5.723 -3.075 297 HA GLU 40 HA GLU 40 67.584 6.674 -5.538 298 1HB GLU 40 1HB GLU 40 67.423 3.995 -4.128 299 2HB GLU 40 2HB GLU 40 67.078 4.337 -5.824 300 1HG GLU 40 1HG GLU 40 69.801 4.719 -4.549 301 2HG GLU 40 2HG GLU 40 69.325 3.267 -5.432 302 H LEU 41 H LEU 41 66.858 5.574 -2.238 303 HA LEU 41 HA LEU 41 63.992 5.631 -2.437 304 1HB LEU 41 1HB LEU 41 65.611 4.611 -0.686 305 2HB LEU 41 2HB LEU 41 65.652 6.223 0.023 306 HG LEU 41 HG LEU 41 63.945 4.931 1.160 307 1HD1 LEU 41 1HD1 LEU 41 63.505 7.353 0.524 308 2HD1 LEU 41 2HD1 LEU 41 62.520 6.740 -0.804 309 3HD1 LEU 41 3HD1 LEU 41 62.067 6.389 0.864 310 1HD2 LEU 41 1HD2 LEU 41 63.548 3.846 -1.461 311 2HD2 LEU 41 2HD2 LEU 41 62.835 3.311 0.062 312 3HD2 LEU 41 3HD2 LEU 41 62.019 4.535 -0.913 313 H GLY 42 H GLY 42 66.164 7.985 -0.806 314 1HA GLY 42 1HA GLY 42 64.327 10.006 -0.299 315 2HA GLY 42 2HA GLY 42 66.014 10.335 -0.701 316 H LYS 43 H LYS 43 65.890 9.228 -3.380 317 HA LYS 43 HA LYS 43 65.329 11.426 -4.975 318 1HB LYS 43 1HB LYS 43 66.045 8.775 -5.298 319 2HB LYS 43 2HB LYS 43 64.507 8.860 -6.157 320 1HG LYS 43 1HG LYS 43 66.454 11.069 -6.628 321 2HG LYS 43 2HG LYS 43 66.821 9.501 -7.344 322 1HD LYS 43 1HD LYS 43 65.004 9.552 -8.745 323 2HD LYS 43 2HD LYS 43 64.040 10.529 -7.637 324 1HE LYS 43 1HE LYS 43 64.656 11.903 -9.570 325 2HE LYS 43 2HE LYS 43 65.559 12.482 -8.157 326 1HZ LYS 43 1HZ LYS 43 67.264 10.709 -8.882 327 2HZ LYS 43 2HZ LYS 43 66.503 10.811 -10.394 328 3HZ LYS 43 3HZ LYS 43 67.225 12.190 -9.713 329 H VAL 44 H VAL 44 63.038 8.933 -3.889 330 HA VAL 44 HA VAL 44 60.787 10.014 -5.382 331 HB VAL 44 HB VAL 44 61.300 7.948 -3.258 332 1HG1 VAL 44 1HG1 VAL 44 59.157 9.107 -2.670 333 2HG1 VAL 44 2HG1 VAL 44 58.541 8.702 -4.267 334 3HG1 VAL 44 3HG1 VAL 44 58.932 7.419 -3.122 335 1HG2 VAL 44 1HG2 VAL 44 61.571 7.713 -5.847 336 2HG2 VAL 44 2HG2 VAL 44 60.755 6.426 -4.961 337 3HG2 VAL 44 3HG2 VAL 44 59.810 7.617 -5.857 338 H MET 45 H MET 45 61.890 10.188 -1.992 339 HA MET 45 HA MET 45 59.822 11.432 -0.677 340 1HB MET 45 1HB MET 45 62.769 11.504 -0.626 341 2HB MET 45 2HB MET 45 62.005 12.893 0.146 342 1HG MET 45 1HG MET 45 62.307 11.121 1.799 343 2HG MET 45 2HG MET 45 60.587 11.333 1.476 344 1HE MET 45 1HE MET 45 59.190 10.183 0.569 345 2HE MET 45 2HE MET 45 59.463 9.151 -0.834 346 3HE MET 45 3HE MET 45 59.174 8.432 0.756 347 H ARG 46 H ARG 46 62.173 13.110 -2.798 348 HA ARG 46 HA ARG 46 60.746 15.661 -2.550 349 1HB ARG 46 1HB ARG 46 62.509 16.373 -4.163 350 2HB ARG 46 2HB ARG 46 63.186 15.523 -2.774 351 1HG ARG 46 1HG ARG 46 62.620 13.477 -4.568 352 2HG ARG 46 2HG ARG 46 63.220 14.775 -5.599 353 1HD ARG 46 1HD ARG 46 64.873 14.666 -3.255 354 2HD ARG 46 2HD ARG 46 64.758 13.035 -3.947 355 HE ARG 46 HE ARG 46 65.109 15.038 -6.012 356 1HH1 ARG 46 1HH1 ARG 46 67.073 14.583 -3.386 357 2HH1 ARG 46 2HH1 ARG 46 68.442 13.986 -4.264 358 1HH2 ARG 46 1HH2 ARG 46 66.715 13.654 -7.251 359 2HH2 ARG 46 2HH2 ARG 46 68.239 13.458 -6.451 360 H MET 47 H MET 47 60.555 12.877 -4.605 361 HA MET 47 HA MET 47 59.345 14.339 -6.856 362 1HB MET 47 1HB MET 47 59.742 12.379 -7.988 363 2HB MET 47 2HB MET 47 60.821 12.079 -6.629 364 1HG MET 47 1HG MET 47 59.099 10.773 -5.495 365 2HG MET 47 2HG MET 47 57.929 11.167 -6.753 366 1HE MET 47 1HE MET 47 58.765 10.971 -9.305 367 2HE MET 47 2HE MET 47 58.947 9.298 -9.826 368 3HE MET 47 3HE MET 47 57.557 9.776 -8.841 369 H LEU 48 H LEU 48 58.280 12.273 -4.168 370 HA LEU 48 HA LEU 48 55.597 11.798 -4.896 371 1HB LEU 48 1HB LEU 48 56.832 12.448 -2.199 372 2HB LEU 48 2HB LEU 48 55.258 11.687 -2.422 373 HG LEU 48 HG LEU 48 57.813 10.529 -3.561 374 1HD1 LEU 48 1HD1 LEU 48 56.463 10.089 -0.888 375 2HD1 LEU 48 2HD1 LEU 48 57.555 8.901 -1.602 376 3HD1 LEU 48 3HD1 LEU 48 58.147 10.512 -1.195 377 1HD2 LEU 48 1HD2 LEU 48 55.596 9.843 -4.535 378 2HD2 LEU 48 2HD2 LEU 48 56.473 8.512 -3.782 379 3HD2 LEU 48 3HD2 LEU 48 55.124 9.268 -2.936 380 H GLY 49 H GLY 49 56.689 14.416 -2.714 381 1HA GLY 49 1HA GLY 49 55.640 16.666 -3.857 382 2HA GLY 49 2HA GLY 49 54.206 15.905 -3.164 383 H GLN 50 H GLN 50 57.490 15.844 -1.833 384 HA GLN 50 HA GLN 50 56.707 17.730 0.323 385 1HB GLN 50 1HB GLN 50 56.452 14.925 0.504 386 2HB GLN 50 2HB GLN 50 57.897 15.326 1.431 387 1HG GLN 50 1HG GLN 50 56.678 16.893 2.798 388 2HG GLN 50 2HG GLN 50 55.254 16.768 1.764 389 1HE2 GLN 50 2HE2 GLN 50 54.389 16.168 4.120 390 2HE2 GLN 50 1HE2 GLN 50 54.389 14.511 4.489 391 H ASN 51 H ASN 51 58.981 16.745 1.970 392 HA ASN 51 HA ASN 51 61.423 16.743 0.453 393 1HB ASN 51 1HB ASN 51 62.053 19.115 0.851 394 2HB ASN 51 2HB ASN 51 60.605 18.989 -0.149 395 1HD2 ASN 51 2HD2 ASN 51 61.218 21.324 1.469 396 2HD2 ASN 51 1HD2 ASN 51 60.017 21.447 2.664 397 HA PRO 52 HA PRO 52 61.676 15.945 5.012 398 1HB PRO 52 1HB PRO 52 62.724 13.428 4.799 399 2HB PRO 52 2HB PRO 52 60.979 13.748 4.794 400 1HG PRO 52 1HG PRO 52 62.803 13.170 2.520 401 2HG PRO 52 2HG PRO 52 61.126 12.668 2.779 402 1HD PRO 52 1HD PRO 52 61.882 14.715 1.116 403 2HD PRO 52 2HD PRO 52 60.282 14.587 1.879 404 H THR 53 H THR 53 63.943 14.501 5.824 405 HA THR 53 HA THR 53 66.167 16.107 4.608 406 HB THR 53 HB THR 53 67.076 16.233 6.817 407 HG1 THR 53 HG1 THR 53 65.088 14.504 7.793 408 1HG2 THR 53 1HG2 THR 53 64.920 17.537 6.334 409 2HG2 THR 53 2HG2 THR 53 64.098 16.321 7.312 410 3HG2 THR 53 3HG2 THR 53 65.354 17.330 8.031 411 HA PRO 54 HA PRO 54 68.233 12.355 3.670 412 1HB PRO 54 1HB PRO 54 70.849 13.037 4.101 413 2HB PRO 54 2HB PRO 54 69.909 13.631 2.718 414 1HG PRO 54 1HG PRO 54 70.605 15.002 5.262 415 2HG PRO 54 2HG PRO 54 70.496 15.653 3.620 416 1HD PRO 54 1HD PRO 54 68.559 15.984 5.528 417 2HD PRO 54 2HD PRO 54 68.249 16.022 3.779 418 H GLU 55 H GLU 55 69.115 13.880 6.758 419 HA GLU 55 HA GLU 55 70.434 11.663 7.975 420 1HB GLU 55 1HB GLU 55 69.543 14.272 8.611 421 2HB GLU 55 2HB GLU 55 68.838 13.207 9.827 422 1HG GLU 55 1HG GLU 55 71.281 12.167 9.847 423 2HG GLU 55 2HG GLU 55 71.719 13.765 9.241 424 H GLU 56 H GLU 56 67.033 12.342 7.429 425 HA GLU 56 HA GLU 56 66.106 10.255 9.290 426 1HB GLU 56 1HB GLU 56 65.084 12.535 7.854 427 2HB GLU 56 2HB GLU 56 64.080 11.130 7.496 428 1HG GLU 56 1HG GLU 56 63.574 10.765 9.782 429 2HG GLU 56 2HG GLU 56 64.886 11.813 10.324 430 H LEU 57 H LEU 57 66.724 10.642 5.844 431 HA LEU 57 HA LEU 57 65.301 8.585 4.643 432 1HB LEU 57 1HB LEU 57 67.581 10.188 4.147 433 2HB LEU 57 2HB LEU 57 68.069 8.528 3.808 434 HG LEU 57 HG LEU 57 65.748 10.049 2.603 435 1HD1 LEU 57 1HD1 LEU 57 68.428 9.685 1.839 436 2HD1 LEU 57 2HD1 LEU 57 67.507 8.572 0.827 437 3HD1 LEU 57 3HD1 LEU 57 67.117 10.293 0.827 438 1HD2 LEU 57 1HD2 LEU 57 65.884 7.272 3.222 439 2HD2 LEU 57 2HD2 LEU 57 64.674 8.100 2.240 440 3HD2 LEU 57 3HD2 LEU 57 66.115 7.427 1.481 441 H GLN 58 H GLN 58 68.661 8.096 5.769 442 HA GLN 58 HA GLN 58 68.887 5.361 5.632 443 1HB GLN 58 1HB GLN 58 69.864 7.479 7.495 444 2HB GLN 58 2HB GLN 58 70.176 5.801 7.941 445 1HG GLN 58 1HG GLN 58 70.722 6.175 5.134 446 2HG GLN 58 2HG GLN 58 71.613 7.371 6.077 447 1HE2 GLN 58 2HE2 GLN 58 70.840 3.841 6.255 448 2HE2 GLN 58 1HE2 GLN 58 72.382 3.387 6.801 449 H GLU 59 H GLU 59 67.054 7.161 8.087 450 HA GLU 59 HA GLU 59 66.583 5.205 10.020 451 1HB GLU 59 1HB GLU 59 65.750 7.645 9.754 452 2HB GLU 59 2HB GLU 59 64.393 6.941 8.872 453 1HG GLU 59 1HG GLU 59 63.893 5.491 10.817 454 2HG GLU 59 2HG GLU 59 65.225 6.235 11.703 455 H MET 60 H MET 60 65.115 5.488 6.796 456 HA MET 60 HA MET 60 63.250 3.274 7.210 457 1HB MET 60 1HB MET 60 64.173 5.041 4.957 458 2HB MET 60 2HB MET 60 63.210 3.610 4.591 459 1HG MET 60 1HG MET 60 61.478 4.393 6.193 460 2HG MET 60 2HG MET 60 62.427 5.852 6.477 461 1HE MET 60 1HE MET 60 62.273 7.608 5.697 462 2HE MET 60 2HE MET 60 62.210 8.104 4.000 463 3HE MET 60 3HE MET 60 60.734 8.045 4.960 464 H ILE 61 H ILE 61 66.563 3.374 6.857 465 HA ILE 61 HA ILE 61 66.748 0.926 5.172 466 HB ILE 61 HB ILE 61 68.882 2.698 6.381 467 1HG1 ILE 61 1HG1 ILE 61 67.193 3.836 4.842 468 2HG1 ILE 61 2HG1 ILE 61 68.887 3.955 4.360 469 1HG2 ILE 61 1HG2 ILE 61 68.867 0.475 4.371 470 2HG2 ILE 61 2HG2 ILE 61 70.093 1.739 4.276 471 3HG2 ILE 61 3HG2 ILE 61 69.967 0.739 5.723 472 1HD1 ILE 61 1HD1 ILE 61 68.596 2.035 2.860 473 2HD1 ILE 61 2HD1 ILE 61 66.906 1.918 3.333 474 3HD1 ILE 61 3HD1 ILE 61 67.473 3.331 2.444 475 H ASP 62 H ASP 62 68.215 2.077 8.241 476 HA ASP 62 HA ASP 62 69.027 -0.501 9.160 477 1HB ASP 62 1HB ASP 62 68.345 2.104 10.556 478 2HB ASP 62 2HB ASP 62 69.116 0.740 11.368 479 H GLU 63 H GLU 63 65.958 1.218 9.398 480 HA GLU 63 HA GLU 63 64.691 -0.151 11.503 481 1HB GLU 63 1HB GLU 63 64.002 1.397 9.122 482 2HB GLU 63 2HB GLU 63 62.760 0.210 9.524 483 1HG GLU 63 1HG GLU 63 63.617 1.398 11.966 484 2HG GLU 63 2HG GLU 63 63.313 2.705 10.821 485 H VAL 64 H VAL 64 65.443 -1.268 8.251 486 HA VAL 64 HA VAL 64 64.233 -3.922 8.955 487 HB VAL 64 HB VAL 64 63.732 -4.009 6.443 488 1HG1 VAL 64 1HG1 VAL 64 62.309 -2.934 8.588 489 2HG1 VAL 64 2HG1 VAL 64 62.152 -1.718 7.321 490 3HG1 VAL 64 3HG1 VAL 64 61.640 -3.378 7.018 491 1HG2 VAL 64 1HG2 VAL 64 64.332 -1.047 6.735 492 2HG2 VAL 64 2HG2 VAL 64 65.277 -2.197 5.789 493 3HG2 VAL 64 3HG2 VAL 64 63.624 -1.810 5.312 494 H ASP 65 H ASP 65 67.081 -2.675 8.922 495 HA ASP 65 HA ASP 65 68.359 -4.555 6.973 496 1HB ASP 65 1HB ASP 65 68.796 -1.846 7.886 497 2HB ASP 65 2HB ASP 65 70.242 -2.814 8.171 498 H GLU 66 H GLU 66 68.570 -6.504 8.099 499 HA GLU 66 HA GLU 66 69.409 -6.510 10.930 500 1HB GLU 66 1HB GLU 66 68.261 -8.342 8.918 501 2HB GLU 66 2HB GLU 66 69.373 -9.111 10.052 502 1HG GLU 66 1HG GLU 66 67.442 -9.255 11.302 503 2HG GLU 66 2HG GLU 66 67.973 -7.650 11.808 504 H ASP 67 H ASP 67 71.244 -5.556 8.701 505 HA ASP 67 HA ASP 67 73.520 -7.406 9.319 506 1HB ASP 67 1HB ASP 67 74.227 -6.884 6.910 507 2HB ASP 67 2HB ASP 67 72.811 -7.922 7.090 508 H GLY 68 H GLY 68 72.513 -4.157 8.243 509 1HA GLY 68 1HA GLY 68 73.402 -2.120 9.180 510 2HA GLY 68 2HA GLY 68 74.802 -3.027 9.754 511 H SER 69 H SER 69 73.631 -3.440 6.486 512 HA SER 69 HA SER 69 76.225 -2.487 5.445 513 1HB SER 69 1HB SER 69 75.272 -3.434 3.331 514 2HB SER 69 2HB SER 69 75.247 -4.586 4.664 515 HG SER 69 HG SER 69 73.233 -3.946 3.230 516 H GLY 70 H GLY 70 73.266 -1.060 6.155 517 1HA GLY 70 1HA GLY 70 72.405 1.058 5.610 518 2HA GLY 70 2HA GLY 70 73.925 1.382 4.774 519 H THR 71 H THR 71 71.844 -1.358 4.021 520 HA THR 71 HA THR 71 70.885 0.014 1.552 521 HB THR 71 HB THR 71 71.678 -2.001 0.263 522 HG1 THR 71 HG1 THR 71 72.287 -3.618 1.426 523 1HG2 THR 71 1HG2 THR 71 73.769 -0.429 1.793 524 2HG2 THR 71 2HG2 THR 71 74.082 -1.361 0.328 525 3HG2 THR 71 3HG2 THR 71 73.015 0.042 0.270 526 H VAL 72 H VAL 72 69.002 -1.050 0.627 527 HA VAL 72 HA VAL 72 67.756 -3.128 2.397 528 HB VAL 72 HB VAL 72 66.636 -0.585 1.195 529 1HG1 VAL 72 1HG1 VAL 72 65.114 -2.599 0.883 530 2HG1 VAL 72 2HG1 VAL 72 65.062 -2.731 2.641 531 3HG1 VAL 72 3HG1 VAL 72 64.433 -1.287 1.846 532 1HG2 VAL 72 1HG2 VAL 72 67.857 -0.844 3.526 533 2HG2 VAL 72 2HG2 VAL 72 66.390 0.125 3.398 534 3HG2 VAL 72 3HG2 VAL 72 66.308 -1.520 4.027 535 H ASP 73 H ASP 73 66.355 -4.610 1.293 536 HA ASP 73 HA ASP 73 66.394 -4.484 -1.699 537 1HB ASP 73 1HB ASP 73 66.878 -6.988 -0.068 538 2HB ASP 73 2HB ASP 73 67.183 -6.740 -1.788 539 H PHE 74 H PHE 74 64.741 -6.085 -2.615 540 HA PHE 74 HA PHE 74 62.145 -5.663 -1.745 541 1HB PHE 74 1HB PHE 74 63.071 -6.855 -3.823 542 2HB PHE 74 2HB PHE 74 63.127 -8.312 -2.830 543 HD1 PHE 74 HD1 PHE 74 60.627 -5.532 -2.832 544 HD2 PHE 74 HD2 PHE 74 61.391 -9.681 -3.645 545 HE1 PHE 74 HE1 PHE 74 58.206 -5.900 -3.225 546 HE2 PHE 74 HE2 PHE 74 58.971 -10.049 -4.038 547 HZ PHE 74 HZ PHE 74 57.378 -8.159 -3.828 548 H ASP 75 H ASP 75 64.527 -7.832 -0.368 549 HA ASP 75 HA ASP 75 62.654 -9.398 1.227 550 1HB ASP 75 1HB ASP 75 65.510 -9.187 0.668 551 2HB ASP 75 2HB ASP 75 65.207 -9.483 2.380 552 H GLU 76 H GLU 76 65.130 -6.961 2.139 553 HA GLU 76 HA GLU 76 64.041 -6.588 4.800 554 1HB GLU 76 1HB GLU 76 65.883 -4.857 3.114 555 2HB GLU 76 2HB GLU 76 65.717 -4.787 4.868 556 1HG GLU 76 1HG GLU 76 66.598 -7.022 5.111 557 2HG GLU 76 2HG GLU 76 66.579 -7.271 3.365 558 H PHE 77 H PHE 77 63.611 -4.998 1.673 559 HA PHE 77 HA PHE 77 62.289 -2.624 2.564 560 1HB PHE 77 1HB PHE 77 63.092 -2.768 0.327 561 2HB PHE 77 2HB PHE 77 62.263 -4.301 0.047 562 HD1 PHE 77 HD1 PHE 77 61.336 -0.864 1.253 563 HD2 PHE 77 HD2 PHE 77 60.394 -4.165 -1.327 564 HE1 PHE 77 HE1 PHE 77 59.354 0.365 0.407 565 HE2 PHE 77 HE2 PHE 77 58.412 -2.938 -2.174 566 HZ PHE 77 HZ PHE 77 57.892 -0.673 -1.307 567 H LEU 78 H LEU 78 61.051 -5.861 1.733 568 HA LEU 78 HA LEU 78 58.275 -5.373 1.834 569 1HB LEU 78 1HB LEU 78 60.157 -7.628 2.224 570 2HB LEU 78 2HB LEU 78 58.548 -7.867 2.909 571 HG LEU 78 HG LEU 78 58.990 -6.906 0.075 572 1HD1 LEU 78 1HD1 LEU 78 59.361 -9.555 1.214 573 2HD1 LEU 78 2HD1 LEU 78 58.061 -9.552 0.023 574 3HD1 LEU 78 3HD1 LEU 78 59.672 -8.997 -0.430 575 1HD2 LEU 78 1HD2 LEU 78 56.739 -7.017 1.734 576 2HD2 LEU 78 2HD2 LEU 78 56.732 -6.837 -0.021 577 3HD2 LEU 78 3HD2 LEU 78 56.591 -8.440 0.702 578 H VAL 79 H VAL 79 60.387 -6.449 4.524 579 HA VAL 79 HA VAL 79 58.469 -6.401 6.593 580 HB VAL 79 HB VAL 79 61.406 -5.648 6.690 581 1HG1 VAL 79 1HG1 VAL 79 59.530 -6.849 8.751 582 2HG1 VAL 79 2HG1 VAL 79 61.268 -6.642 8.969 583 3HG1 VAL 79 3HG1 VAL 79 60.226 -5.229 8.796 584 1HG2 VAL 79 1HG2 VAL 79 59.976 -8.196 6.182 585 2HG2 VAL 79 2HG2 VAL 79 61.611 -7.716 5.730 586 3HG2 VAL 79 3HG2 VAL 79 61.279 -8.283 7.366 587 H MET 80 H MET 80 59.899 -3.750 4.873 588 HA MET 80 HA MET 80 59.466 -1.755 6.979 589 1HB MET 80 1HB MET 80 61.205 -1.817 5.066 590 2HB MET 80 2HB MET 80 59.887 -1.280 4.024 591 1HG MET 80 1HG MET 80 60.154 0.234 6.545 592 2HG MET 80 2HG MET 80 61.513 0.411 5.434 593 1HE MET 80 1HE MET 80 61.538 0.880 3.320 594 2HE MET 80 2HE MET 80 60.314 1.602 2.267 595 3HE MET 80 3HE MET 80 61.178 2.600 3.434 596 H MET 81 H MET 81 57.651 -3.048 4.258 597 HA MET 81 HA MET 81 55.679 -0.853 4.314 598 1HB MET 81 1HB MET 81 56.290 -3.298 2.709 599 2HB MET 81 2HB MET 81 54.631 -2.698 2.671 600 1HG MET 81 1HG MET 81 56.815 -0.692 2.345 601 2HG MET 81 2HG MET 81 56.503 -1.776 0.988 602 1HE MET 81 1HE MET 81 56.058 1.456 2.100 603 2HE MET 81 2HE MET 81 56.143 1.177 0.355 604 3HE MET 81 3HE MET 81 54.760 2.019 1.049 605 H VAL 82 H VAL 82 56.033 -4.136 5.542 606 HA VAL 82 HA VAL 82 53.284 -4.678 6.148 607 HB VAL 82 HB VAL 82 55.747 -5.584 7.663 608 1HG1 VAL 82 1HG1 VAL 82 53.031 -6.788 7.074 609 2HG1 VAL 82 2HG1 VAL 82 54.381 -7.732 7.705 610 3HG1 VAL 82 3HG1 VAL 82 53.718 -6.400 8.652 611 1HG2 VAL 82 1HG2 VAL 82 54.996 -5.940 4.849 612 2HG2 VAL 82 2HG2 VAL 82 56.532 -6.269 5.650 613 3HG2 VAL 82 3HG2 VAL 82 55.239 -7.468 5.695 614 H ARG 83 H ARG 83 55.817 -2.926 7.895 615 HA ARG 83 HA ARG 83 54.574 -2.743 10.448 616 1HB ARG 83 1HB ARG 83 56.274 -0.681 9.010 617 2HB ARG 83 2HB ARG 83 56.128 -0.895 10.756 618 1HG ARG 83 1HG ARG 83 56.884 -3.387 10.104 619 2HG ARG 83 2HG ARG 83 57.634 -2.518 8.766 620 1HD ARG 83 1HD ARG 83 57.996 -1.714 11.671 621 2HD ARG 83 2HD ARG 83 59.139 -2.742 10.784 622 HE ARG 83 HE ARG 83 59.631 -0.877 9.319 623 1HH1 ARG 83 1HH2 ARG 83 59.381 0.280 12.231 624 2HH1 ARG 83 2HH2 ARG 83 58.582 1.776 11.874 625 1HH2 ARG 83 1HH1 ARG 83 57.706 0.844 8.651 626 2HH2 ARG 83 2HH1 ARG 83 57.634 2.095 9.847 627 H CYS 84 H CYS 84 54.371 -0.511 7.647 628 HA CYS 84 HA CYS 84 52.233 1.023 9.021 629 1HB CYS 84 1HB CYS 84 52.607 2.591 7.178 630 2HB CYS 84 2HB CYS 84 54.162 2.103 7.854 631 HG CYS 84 HG CYS 84 53.946 1.907 5.109 632 H MET 85 H MET 85 51.011 -1.266 8.671 633 HA MET 85 HA MET 85 49.461 -0.990 6.115 634 1HB MET 85 1HB MET 85 50.559 -3.403 7.566 635 2HB MET 85 2HB MET 85 49.251 -3.551 6.390 636 1HG MET 85 1HG MET 85 51.247 -1.892 5.224 637 2HG MET 85 2HG MET 85 52.063 -3.303 5.897 638 1HE MET 85 1HE MET 85 51.395 -5.434 5.809 639 2HE MET 85 2HE MET 85 50.417 -6.274 4.608 640 3HE MET 85 3HE MET 85 52.053 -5.761 4.201 641 H LYS 86 H LYS 86 48.538 0.366 8.312 642 HA LYS 86 HA LYS 86 46.693 -1.341 9.860 643 1HB LYS 86 1HB LYS 86 47.995 0.601 10.781 644 2HB LYS 86 2HB LYS 86 47.041 1.672 9.753 645 1HG LYS 86 1HG LYS 86 45.341 1.659 11.225 646 2HG LYS 86 2HG LYS 86 45.294 -0.104 11.216 647 1HD LYS 86 1HD LYS 86 47.151 -0.155 12.852 648 2HD LYS 86 2HD LYS 86 47.167 1.609 12.879 649 1HE LYS 86 1HE LYS 86 44.519 0.348 13.366 650 2HE LYS 86 2HE LYS 86 45.728 0.144 14.649 651 1HZ LYS 86 1HZ LYS 86 45.490 2.769 13.372 652 2HZ LYS 86 2HZ LYS 86 44.291 2.325 14.487 653 3HZ LYS 86 3HZ LYS 86 45.919 2.378 14.969 654 H ASP 87 H ASP 87 44.783 -1.926 8.889 655 HA ASP 87 HA ASP 87 43.656 -0.415 6.651 656 1HB ASP 87 1HB ASP 87 43.672 -2.967 7.177 657 2HB ASP 87 2HB ASP 87 42.308 -2.602 8.234 658 H ASP 88 H ASP 88 41.488 0.544 6.708 659 HA ASP 88 HA ASP 88 40.462 1.220 9.435 660 1HB ASP 88 1HB ASP 88 40.348 3.583 8.735 661 2HB ASP 88 2HB ASP 88 42.004 2.986 8.615 662 H SER 89 H SER 89 38.443 0.253 9.285 663 HA SER 89 HA SER 89 36.921 0.264 6.769 664 1HB SER 89 1HB SER 89 35.496 -0.520 9.185 665 2HB SER 89 2HB SER 89 35.928 -1.497 7.785 666 HG SER 89 HG SER 89 36.909 -1.957 9.976 667 1H ARG 1 1H ARG 1 54.353 6.957 7.037 668 2H ARG 1 2H ARG 1 56.023 6.715 6.866 669 3H ARG 1 3H ARG 1 55.439 7.806 8.029 670 HA ARG 1 HA ARG 1 54.670 9.315 6.348 671 1HB ARG 1 1HB ARG 1 57.393 8.305 6.660 672 2HB ARG 1 2HB ARG 1 57.163 9.103 5.104 673 1HG ARG 1 1HG ARG 1 56.386 11.119 6.165 674 2HG ARG 1 2HG ARG 1 56.317 10.328 7.740 675 1HD ARG 1 1HD ARG 1 58.891 9.864 7.256 676 2HD ARG 1 2HD ARG 1 58.710 11.292 6.217 677 HE ARG 1 HE ARG 1 57.686 11.407 9.014 678 1HH1 ARG 1 1HH1 ARG 1 60.309 12.040 6.926 679 2HH1 ARG 1 2HH1 ARG 1 60.651 13.605 7.584 680 1HH2 ARG 1 1HH2 ARG 1 57.903 13.606 9.701 681 2HH2 ARG 1 2HH2 ARG 1 59.287 14.494 9.155 682 H ILE 2 H ILE 2 55.215 6.100 5.277 683 HA ILE 2 HA ILE 2 54.393 6.866 2.493 684 HB ILE 2 HB ILE 2 55.764 4.747 1.921 685 1HG1 ILE 2 1HG1 ILE 2 56.841 5.344 4.697 686 2HG1 ILE 2 2HG1 ILE 2 55.887 3.926 4.266 687 1HG2 ILE 2 1HG2 ILE 2 56.614 7.471 2.576 688 2HG2 ILE 2 2HG2 ILE 2 57.935 6.307 2.675 689 3HG2 ILE 2 3HG2 ILE 2 57.019 6.477 1.177 690 1HD1 ILE 2 1HD1 ILE 2 58.452 4.616 2.829 691 2HD1 ILE 2 2HD1 ILE 2 58.440 3.631 4.292 692 3HD1 ILE 2 3HD1 ILE 2 57.593 3.076 2.848 693 H SER 3 H SER 3 52.435 6.304 4.385 694 HA SER 3 HA SER 3 51.641 3.677 4.883 695 1HB SER 3 1HB SER 3 50.242 6.259 4.269 696 2HB SER 3 2HB SER 3 49.280 4.796 4.454 697 HG SER 3 HG SER 3 50.780 4.601 6.443 698 H ALA 4 H ALA 4 50.155 5.485 2.185 699 HA ALA 4 HA ALA 4 50.861 3.677 0.091 700 1HB ALA 4 1HB ALA 4 48.382 3.064 1.714 701 2HB ALA 4 2HB ALA 4 48.590 2.468 0.067 702 3HB ALA 4 3HB ALA 4 49.721 1.983 1.330 703 H ASP 5 H ASP 5 48.325 5.750 1.458 704 HA ASP 5 HA ASP 5 46.944 6.391 -0.953 705 1HB ASP 5 1HB ASP 5 46.734 6.944 1.711 706 2HB ASP 5 2HB ASP 5 47.285 8.503 1.096 707 H ALA 6 H ALA 6 49.569 8.200 0.699 708 HA ALA 6 HA ALA 6 49.872 10.046 -1.549 709 1HB ALA 6 1HB ALA 6 50.944 9.587 1.174 710 2HB ALA 6 2HB ALA 6 52.058 10.375 0.056 711 3HB ALA 6 3HB ALA 6 50.484 11.097 0.388 712 H MET 7 H MET 7 51.998 7.545 -0.087 713 HA MET 7 HA MET 7 54.153 7.579 -1.823 714 1HB MET 7 1HB MET 7 53.190 5.957 0.155 715 2HB MET 7 2HB MET 7 53.047 4.895 -1.247 716 1HG MET 7 1HG MET 7 55.570 6.261 -1.374 717 2HG MET 7 2HG MET 7 55.398 5.523 0.218 718 1HE MET 7 1HE MET 7 55.300 5.225 -3.496 719 2HE MET 7 2HE MET 7 56.970 4.843 -3.057 720 3HE MET 7 3HE MET 7 55.961 3.628 -3.840 721 H MET 8 H MET 8 50.949 6.163 -2.453 722 HA MET 8 HA MET 8 51.780 5.131 -5.081 723 1HB MET 8 1HB MET 8 49.106 5.330 -3.660 724 2HB MET 8 2HB MET 8 49.404 4.405 -5.132 725 1HG MET 8 1HG MET 8 50.811 3.965 -2.482 726 2HG MET 8 2HG MET 8 49.505 2.964 -3.116 727 1HE MET 8 1HE MET 8 52.770 4.166 -2.966 728 2HE MET 8 2HE MET 8 53.756 2.784 -3.438 729 3HE MET 8 3HE MET 8 53.432 4.083 -4.596 730 H GLN 9 H GLN 9 49.776 7.802 -3.821 731 HA GLN 9 HA GLN 9 49.011 8.713 -6.496 732 1HB GLN 9 1HB GLN 9 47.546 8.990 -4.571 733 2HB GLN 9 2HB GLN 9 48.794 9.889 -3.708 734 1HG GLN 9 1HG GLN 9 48.356 11.087 -6.294 735 2HG GLN 9 2HG GLN 9 46.819 10.938 -5.442 736 1HE2 GLN 9 2HE2 GLN 9 49.724 12.777 -5.631 737 2HE2 GLN 9 1HE2 GLN 9 49.491 13.706 -4.229 738 H ALA 10 H ALA 10 51.453 9.612 -4.078 739 HA ALA 10 HA ALA 10 52.293 12.009 -5.549 740 1HB ALA 10 1HB ALA 10 52.391 11.205 -2.970 741 2HB ALA 10 2HB ALA 10 54.008 10.720 -3.484 742 3HB ALA 10 3HB ALA 10 53.503 12.403 -3.632 743 H LEU 11 H LEU 11 53.163 8.622 -5.469 744 HA LEU 11 HA LEU 11 55.611 9.185 -7.103 745 1HB LEU 11 1HB LEU 11 55.107 7.636 -4.844 746 2HB LEU 11 2HB LEU 11 55.172 6.460 -6.152 747 HG LEU 11 HG LEU 11 57.276 8.551 -5.566 748 1HD1 LEU 11 1HD1 LEU 11 57.113 5.568 -5.068 749 2HD1 LEU 11 2HD1 LEU 11 58.628 6.463 -5.022 750 3HD1 LEU 11 3HD1 LEU 11 57.346 6.843 -3.875 751 1HD2 LEU 11 1HD2 LEU 11 57.144 6.305 -7.605 752 2HD2 LEU 11 2HD2 LEU 11 57.149 8.033 -7.952 753 3HD2 LEU 11 3HD2 LEU 11 58.582 7.267 -7.269 754 H LEU 12 H LEU 12 53.513 6.308 -6.904 755 HA LEU 12 HA LEU 12 53.446 6.242 -9.882 756 1HB LEU 12 1HB LEU 12 52.747 4.169 -7.774 757 2HB LEU 12 2HB LEU 12 52.868 3.873 -9.506 758 HG LEU 12 HG LEU 12 54.976 3.189 -8.876 759 1HD1 LEU 12 1HD1 LEU 12 55.065 5.392 -10.292 760 2HD1 LEU 12 2HD1 LEU 12 55.700 6.106 -8.809 761 3HD1 LEU 12 3HD1 LEU 12 56.551 4.766 -9.577 762 1HD2 LEU 12 1HD2 LEU 12 54.320 4.683 -6.490 763 2HD2 LEU 12 2HD2 LEU 12 55.452 3.346 -6.684 764 3HD2 LEU 12 3HD2 LEU 12 55.988 5.002 -6.967 765 H GLY 13 H GLY 13 51.012 4.303 -9.185 766 1HA GLY 13 1HA GLY 13 48.710 4.879 -8.389 767 2HA GLY 13 2HA GLY 13 48.984 6.496 -9.038 768 H ALA 14 H ALA 14 47.543 6.637 -10.719 769 HA ALA 14 HA ALA 14 47.086 4.342 -12.513 770 1HB ALA 14 1HB ALA 14 45.414 6.113 -11.589 771 2HB ALA 14 2HB ALA 14 46.070 7.165 -12.845 772 3HB ALA 14 3HB ALA 14 45.276 5.653 -13.286 773 H ARG 15 H ARG 15 46.796 5.559 -14.972 774 HA ARG 15 HA ARG 15 49.518 6.675 -15.566 775 1HB ARG 15 1HB ARG 15 49.313 4.281 -16.137 776 2HB ARG 15 2HB ARG 15 47.881 4.632 -17.106 777 1HG ARG 15 1HG ARG 15 49.176 5.994 -18.636 778 2HG ARG 15 2HG ARG 15 50.607 5.858 -17.614 779 1HD ARG 15 1HD ARG 15 49.414 3.268 -18.427 780 2HD ARG 15 2HD ARG 15 50.143 4.216 -19.740 781 HE ARG 15 HE ARG 15 51.604 3.535 -17.213 782 1HH1 ARG 15 1HH2 ARG 15 52.050 1.902 -19.719 783 2HH1 ARG 15 2HH2 ARG 15 53.460 2.659 -20.380 784 1HH2 ARG 15 1HH1 ARG 15 53.164 5.516 -18.437 785 2HH2 ARG 15 2HH1 ARG 15 54.091 4.704 -19.655 786 H ALA 16 H ALA 16 48.450 8.816 -15.582 787 HA ALA 16 HA ALA 16 47.338 10.606 -16.657 788 1HB ALA 16 1HB ALA 16 49.070 9.688 -18.317 789 2HB ALA 16 2HB ALA 16 47.720 8.877 -19.112 790 3HB ALA 16 3HB ALA 16 47.756 10.637 -19.011 791 H LYS 17 H LYS 17 45.454 9.112 -15.446 792 HA LYS 17 HA LYS 17 43.329 8.741 -17.534 793 1HB LYS 17 1HB LYS 17 44.320 7.059 -15.296 794 2HB LYS 17 2HB LYS 17 42.568 7.121 -15.484 795 1HG LYS 17 1HG LYS 17 43.676 6.849 -18.088 796 2HG LYS 17 2HG LYS 17 44.475 5.663 -17.057 797 1HD LYS 17 1HD LYS 17 42.632 4.377 -17.051 798 2HD LYS 17 2HD LYS 17 41.673 5.716 -16.420 799 1HE LYS 17 1HE LYS 17 40.682 5.091 -18.536 800 2HE LYS 17 2HE LYS 17 41.570 6.600 -18.825 801 1HZ LYS 17 1HZ LYS 17 43.235 4.272 -19.019 802 2HZ LYS 17 2HZ LYS 17 41.972 4.250 -20.151 803 3HZ LYS 17 3HZ LYS 17 43.049 5.562 -20.110 Start of MODEL 36 1 1H MET 1 1H MET 1 64.825 -12.566 17.492 2 2H MET 1 2H MET 1 65.541 -13.636 18.601 3 3H MET 1 3H MET 1 64.306 -14.179 17.567 4 HA MET 1 HA MET 1 63.293 -13.871 19.679 5 1HB MET 1 1HB MET 1 65.364 -11.876 19.745 6 2HB MET 1 2HB MET 1 63.828 -11.113 20.155 7 1HG MET 1 1HG MET 1 64.014 -13.680 21.458 8 2HG MET 1 2HG MET 1 65.441 -12.715 21.835 9 1HE MET 1 1HE MET 1 62.187 -13.658 22.135 10 2HE MET 1 2HE MET 1 62.018 -13.203 23.836 11 3HE MET 1 3HE MET 1 61.130 -12.325 22.594 12 H ASP 2 H ASP 2 61.395 -12.307 20.156 13 HA ASP 2 HA ASP 2 59.454 -11.215 19.365 14 1HB ASP 2 1HB ASP 2 61.505 -10.117 17.413 15 2HB ASP 2 2HB ASP 2 59.936 -9.397 17.769 16 H ASP 3 H ASP 3 57.857 -11.424 17.680 17 HA ASP 3 HA ASP 3 58.469 -12.646 15.113 18 1HB ASP 3 1HB ASP 3 58.374 -14.323 17.354 19 2HB ASP 3 2HB ASP 3 56.795 -14.527 16.592 20 H ILE 4 H ILE 4 56.959 -11.519 13.930 21 HA ILE 4 HA ILE 4 54.118 -11.887 14.436 22 HB ILE 4 HB ILE 4 55.036 -10.184 16.152 23 1HG1 ILE 4 1HG1 ILE 4 52.639 -10.468 15.684 24 2HG1 ILE 4 2HG1 ILE 4 53.019 -8.762 15.915 25 1HG2 ILE 4 1HG2 ILE 4 56.426 -8.987 14.414 26 2HG2 ILE 4 2HG2 ILE 4 54.924 -8.366 13.730 27 3HG2 ILE 4 3HG2 ILE 4 55.392 -7.930 15.374 28 1HD1 ILE 4 1HD1 ILE 4 53.391 -8.894 13.263 29 2HD1 ILE 4 2HD1 ILE 4 52.227 -10.209 13.432 30 3HD1 ILE 4 3HD1 ILE 4 51.806 -8.583 13.967 31 H TYR 5 H TYR 5 56.638 -9.961 12.813 32 HA TYR 5 HA TYR 5 54.896 -9.191 10.594 33 1HB TYR 5 1HB TYR 5 57.876 -9.082 11.129 34 2HB TYR 5 2HB TYR 5 57.130 -8.401 9.683 35 HD1 TYR 5 HD1 TYR 5 55.538 -6.510 9.853 36 HD2 TYR 5 HD2 TYR 5 57.613 -8.034 13.292 37 HE1 TYR 5 HE1 TYR 5 54.947 -4.461 11.119 38 HE2 TYR 5 HE2 TYR 5 57.023 -5.986 14.556 39 HH TYR 5 HH TYR 5 56.015 -3.201 13.177 40 H LYS 6 H LYS 6 57.448 -11.622 11.129 41 HA LYS 6 HA LYS 6 57.838 -12.624 8.559 42 1HB LYS 6 1HB LYS 6 58.080 -13.498 11.312 43 2HB LYS 6 2HB LYS 6 57.612 -14.850 10.279 44 1HG LYS 6 1HG LYS 6 59.539 -14.696 8.975 45 2HG LYS 6 2HG LYS 6 59.797 -12.999 9.379 46 1HD LYS 6 1HD LYS 6 61.247 -13.658 10.967 47 2HD LYS 6 2HD LYS 6 59.894 -14.390 11.829 48 1HE LYS 6 1HE LYS 6 60.210 -16.498 10.614 49 2HE LYS 6 2HE LYS 6 61.522 -15.770 9.666 50 1HZ LYS 6 1HZ LYS 6 62.419 -15.133 12.000 51 2HZ LYS 6 2HZ LYS 6 61.447 -16.415 12.537 52 3HZ LYS 6 3HZ LYS 6 62.681 -16.702 11.406 53 H ALA 7 H ALA 7 54.960 -12.800 10.522 54 HA ALA 7 HA ALA 7 53.705 -14.993 9.059 55 1HB ALA 7 1HB ALA 7 53.009 -12.987 11.167 56 2HB ALA 7 2HB ALA 7 51.681 -13.785 10.325 57 3HB ALA 7 3HB ALA 7 52.868 -14.745 11.208 58 H ALA 8 H ALA 8 53.100 -11.458 9.209 59 HA ALA 8 HA ALA 8 51.140 -11.227 7.225 60 1HB ALA 8 1HB ALA 8 52.534 -9.554 8.810 61 2HB ALA 8 2HB ALA 8 53.360 -9.234 7.286 62 3HB ALA 8 3HB ALA 8 51.621 -8.976 7.416 63 H VAL 9 H VAL 9 54.683 -11.363 6.808 64 HA VAL 9 HA VAL 9 54.880 -10.877 4.044 65 HB VAL 9 HB VAL 9 56.385 -12.912 5.723 66 1HG1 VAL 9 1HG1 VAL 9 57.043 -11.395 3.187 67 2HG1 VAL 9 2HG1 VAL 9 58.271 -12.194 4.170 68 3HG1 VAL 9 3HG1 VAL 9 56.991 -13.143 3.413 69 1HG2 VAL 9 1HG2 VAL 9 56.402 -9.924 5.613 70 2HG2 VAL 9 2HG2 VAL 9 56.666 -10.996 6.988 71 3HG2 VAL 9 3HG2 VAL 9 57.949 -10.748 5.805 72 H GLU 10 H GLU 10 54.746 -14.128 5.554 73 HA GLU 10 HA GLU 10 54.263 -15.556 3.128 74 1HB GLU 10 1HB GLU 10 54.438 -15.994 5.975 75 2HB GLU 10 2HB GLU 10 53.074 -16.905 5.324 76 1HG GLU 10 1HG GLU 10 55.510 -17.019 3.665 77 2HG GLU 10 2HG GLU 10 55.676 -17.765 5.255 78 H GLN 11 H GLN 11 52.195 -13.554 5.024 79 HA GLN 11 HA GLN 11 49.697 -14.833 4.084 80 1HB GLN 11 1HB GLN 11 50.570 -13.248 6.264 81 2HB GLN 11 2HB GLN 11 49.403 -12.266 5.379 82 1HG GLN 11 1HG GLN 11 47.837 -14.237 5.402 83 2HG GLN 11 2HG GLN 11 48.978 -15.064 6.462 84 1HE2 GLN 11 2HE2 GLN 11 49.737 -12.544 7.888 85 2HE2 GLN 11 1HE2 GLN 11 48.415 -12.160 8.881 86 H LEU 12 H LEU 12 51.748 -13.361 2.280 87 HA LEU 12 HA LEU 12 50.089 -11.103 1.284 88 1HB LEU 12 1HB LEU 12 52.851 -12.180 0.639 89 2HB LEU 12 2HB LEU 12 52.142 -10.770 -0.149 90 HG LEU 12 HG LEU 12 52.635 -11.073 2.827 91 1HD1 LEU 12 1HD1 LEU 12 54.062 -9.659 0.589 92 2HD1 LEU 12 2HD1 LEU 12 54.132 -9.009 2.226 93 3HD1 LEU 12 3HD1 LEU 12 54.738 -10.632 1.895 94 1HD2 LEU 12 1HD2 LEU 12 51.191 -9.058 1.144 95 2HD2 LEU 12 2HD2 LEU 12 50.797 -9.653 2.755 96 3HD2 LEU 12 3HD2 LEU 12 52.100 -8.483 2.541 97 H THR 13 H THR 13 50.035 -10.998 -1.239 98 HA THR 13 HA THR 13 49.372 -13.719 -2.324 99 HB THR 13 HB THR 13 47.819 -11.988 -3.740 100 HG1 THR 13 HG1 THR 13 47.086 -10.418 -2.321 101 1HG2 THR 13 1HG2 THR 13 47.207 -14.051 -2.365 102 2HG2 THR 13 2HG2 THR 13 47.019 -12.960 -0.993 103 3HG2 THR 13 3HG2 THR 13 45.996 -12.770 -2.418 104 H GLU 14 H GLU 14 49.346 -13.581 -4.855 105 HA GLU 14 HA GLU 14 51.963 -12.764 -5.759 106 1HB GLU 14 1HB GLU 14 50.038 -14.519 -6.542 107 2HB GLU 14 2HB GLU 14 49.774 -13.225 -7.711 108 1HG GLU 14 1HG GLU 14 52.326 -13.281 -8.078 109 2HG GLU 14 2HG GLU 14 52.286 -14.830 -7.235 110 H GLU 15 H GLU 15 48.708 -11.369 -6.086 111 HA GLU 15 HA GLU 15 49.509 -9.239 -7.887 112 1HB GLU 15 1HB GLU 15 47.146 -10.158 -6.365 113 2HB GLU 15 2HB GLU 15 47.197 -8.421 -6.661 114 1HG GLU 15 1HG GLU 15 47.803 -10.299 -8.920 115 2HG GLU 15 2HG GLU 15 46.122 -10.028 -8.456 116 H GLN 16 H GLN 16 48.546 -9.178 -4.423 117 HA GLN 16 HA GLN 16 49.209 -6.505 -3.856 118 1HB GLN 16 1HB GLN 16 48.041 -7.839 -2.260 119 2HB GLN 16 2HB GLN 16 49.304 -9.070 -2.257 120 1HG GLN 16 1HG GLN 16 50.762 -7.762 -0.982 121 2HG GLN 16 2HG GLN 16 49.968 -6.255 -1.442 122 1HE2 GLN 16 2HE2 GLN 16 49.149 -5.433 0.509 123 2HE2 GLN 16 1HE2 GLN 16 48.187 -6.315 1.593 124 H LYS 17 H LYS 17 51.332 -9.362 -3.946 125 HA LYS 17 HA LYS 17 53.680 -7.956 -2.973 126 1HB LYS 17 1HB LYS 17 53.722 -10.271 -2.661 127 2HB LYS 17 2HB LYS 17 52.985 -10.595 -4.229 128 1HG LYS 17 1HG LYS 17 55.705 -9.333 -4.134 129 2HG LYS 17 2HG LYS 17 55.553 -11.070 -3.858 130 1HD LYS 17 1HD LYS 17 53.903 -10.371 -6.088 131 2HD LYS 17 2HD LYS 17 55.509 -9.686 -6.350 132 1HE LYS 17 1HE LYS 17 56.455 -11.740 -6.642 133 2HE LYS 17 2HE LYS 17 55.544 -12.443 -5.292 134 1HZ LYS 17 1HZ LYS 17 54.261 -11.677 -7.850 135 2HZ LYS 17 2HZ LYS 17 54.890 -13.233 -7.584 136 3HZ LYS 17 3HZ LYS 17 53.624 -12.647 -6.613 137 H ASN 18 H ASN 18 52.328 -8.709 -6.171 138 HA ASN 18 HA ASN 18 54.585 -7.851 -7.734 139 1HB ASN 18 1HB ASN 18 51.672 -8.398 -8.096 140 2HB ASN 18 2HB ASN 18 52.475 -7.472 -9.364 141 1HD2 ASN 18 2HD2 ASN 18 51.510 -10.117 -9.860 142 2HD2 ASN 18 1HD2 ASN 18 52.844 -11.138 -10.110 143 H GLU 19 H GLU 19 52.155 -6.129 -5.962 144 HA GLU 19 HA GLU 19 52.321 -3.637 -7.475 145 1HB GLU 19 1HB GLU 19 50.886 -4.812 -5.229 146 2HB GLU 19 2HB GLU 19 51.363 -3.149 -4.884 147 1HG GLU 19 1HG GLU 19 50.419 -3.284 -7.588 148 2HG GLU 19 2HG GLU 19 49.223 -4.042 -6.535 149 H PHE 20 H PHE 20 53.568 -4.743 -4.297 150 HA PHE 20 HA PHE 20 54.981 -2.406 -3.567 151 1HB PHE 20 1HB PHE 20 55.743 -5.315 -3.136 152 2HB PHE 20 2HB PHE 20 56.251 -3.951 -2.141 153 HD1 PHE 20 HD1 PHE 20 53.363 -2.604 -2.599 154 HD2 PHE 20 HD2 PHE 20 54.762 -6.375 -1.090 155 HE1 PHE 20 HE1 PHE 20 51.300 -2.826 -1.240 156 HE2 PHE 20 HE2 PHE 20 52.699 -6.596 0.269 157 HZ PHE 20 HZ PHE 20 50.968 -4.822 0.194 158 H LYS 21 H LYS 21 56.180 -5.249 -5.397 159 HA LYS 21 HA LYS 21 58.821 -4.544 -5.863 160 1HB LYS 21 1HB LYS 21 58.656 -5.985 -7.744 161 2HB LYS 21 2HB LYS 21 57.369 -6.530 -6.667 162 1HG LYS 21 1HG LYS 21 56.128 -6.344 -8.593 163 2HG LYS 21 2HG LYS 21 55.999 -4.671 -8.047 164 1HD LYS 21 1HD LYS 21 58.144 -4.234 -9.379 165 2HD LYS 21 2HD LYS 21 57.871 -5.809 -10.126 166 1HE LYS 21 1HE LYS 21 55.539 -5.004 -10.746 167 2HE LYS 21 2HE LYS 21 56.050 -3.385 -10.229 168 1HZ LYS 21 1HZ LYS 21 57.772 -4.955 -12.027 169 2HZ LYS 21 2HZ LYS 21 56.443 -4.115 -12.673 170 3HZ LYS 21 3HZ LYS 21 57.665 -3.272 -11.847 171 H ALA 22 H ALA 22 55.944 -3.004 -7.143 172 HA ALA 22 HA ALA 22 57.023 -1.578 -9.349 173 1HB ALA 22 1HB ALA 22 54.619 -1.815 -8.571 174 2HB ALA 22 2HB ALA 22 54.974 -0.609 -7.333 175 3HB ALA 22 3HB ALA 22 55.075 -0.177 -9.040 176 H ALA 23 H ALA 23 56.369 -0.118 -6.141 177 HA ALA 23 HA ALA 23 58.032 2.156 -6.506 178 1HB ALA 23 1HB ALA 23 57.111 0.620 -4.057 179 2HB ALA 23 2HB ALA 23 57.903 2.193 -3.967 180 3HB ALA 23 3HB ALA 23 56.344 2.035 -4.778 181 H PHE 24 H PHE 24 58.746 -1.038 -5.088 182 HA PHE 24 HA PHE 24 61.353 -0.575 -4.114 183 1HB PHE 24 1HB PHE 24 60.212 -2.636 -3.688 184 2HB PHE 24 2HB PHE 24 59.985 -2.944 -5.409 185 HD1 PHE 24 HD1 PHE 24 62.686 -2.443 -2.860 186 HD2 PHE 24 HD2 PHE 24 61.525 -4.277 -6.568 187 HE1 PHE 24 HE1 PHE 24 64.840 -3.671 -2.927 188 HE2 PHE 24 HE2 PHE 24 63.679 -5.503 -6.635 189 HZ PHE 24 HZ PHE 24 65.337 -5.201 -4.815 190 H ASP 25 H ASP 25 60.218 -1.119 -7.419 191 HA ASP 25 HA ASP 25 62.841 -1.451 -8.607 192 1HB ASP 25 1HB ASP 25 60.401 -2.035 -9.404 193 2HB ASP 25 2HB ASP 25 60.410 -0.384 -10.025 194 H ILE 26 H ILE 26 60.554 1.297 -8.415 195 HA ILE 26 HA ILE 26 62.288 3.196 -9.718 196 HB ILE 26 HB ILE 26 59.895 3.347 -7.873 197 1HG1 ILE 26 1HG1 ILE 26 59.134 4.435 -10.216 198 2HG1 ILE 26 2HG1 ILE 26 60.418 3.380 -10.807 199 1HG2 ILE 26 1HG2 ILE 26 61.311 5.369 -7.564 200 2HG2 ILE 26 2HG2 ILE 26 61.265 5.644 -9.305 201 3HG2 ILE 26 3HG2 ILE 26 59.782 5.746 -8.357 202 1HD1 ILE 26 1HD1 ILE 26 58.460 2.244 -8.855 203 2HD1 ILE 26 2HD1 ILE 26 57.927 2.482 -10.518 204 3HD1 ILE 26 3HD1 ILE 26 59.315 1.449 -10.177 205 H PHE 27 H PHE 27 62.217 1.871 -6.521 206 HA PHE 27 HA PHE 27 63.476 4.085 -5.130 207 1HB PHE 27 1HB PHE 27 62.857 1.188 -4.664 208 2HB PHE 27 2HB PHE 27 63.982 1.989 -3.569 209 HD1 PHE 27 HD1 PHE 27 61.494 4.111 -5.141 210 HD2 PHE 27 HD2 PHE 27 62.261 1.576 -1.757 211 HE1 PHE 27 HE1 PHE 27 59.589 5.143 -3.936 212 HE2 PHE 27 HE2 PHE 27 60.355 2.610 -0.553 213 HZ PHE 27 HZ PHE 27 59.019 4.393 -1.642 214 H VAL 28 H VAL 28 64.635 1.496 -7.162 215 HA VAL 28 HA VAL 28 67.454 2.169 -6.388 216 HB VAL 28 HB VAL 28 67.955 -0.141 -6.959 217 1HG1 VAL 28 1HG1 VAL 28 65.548 0.327 -5.207 218 2HG1 VAL 28 2HG1 VAL 28 66.206 -1.296 -5.420 219 3HG1 VAL 28 3HG1 VAL 28 67.210 -0.021 -4.727 220 1HG2 VAL 28 1HG2 VAL 28 65.351 0.092 -8.314 221 2HG2 VAL 28 2HG2 VAL 28 66.717 -0.963 -8.678 222 3HG2 VAL 28 3HG2 VAL 28 65.561 -1.418 -7.427 223 H LEU 29 H LEU 29 65.248 2.821 -8.732 224 HA LEU 29 HA LEU 29 66.404 2.134 -11.214 225 1HB LEU 29 1HB LEU 29 64.309 3.668 -10.243 226 2HB LEU 29 2HB LEU 29 65.332 4.863 -11.043 227 HG LEU 29 HG LEU 29 64.383 2.275 -12.310 228 1HD1 LEU 29 1HD1 LEU 29 63.246 5.013 -12.167 229 2HD1 LEU 29 2HD1 LEU 29 63.257 4.268 -13.765 230 3HD1 LEU 29 3HD1 LEU 29 62.434 3.469 -12.425 231 1HD2 LEU 29 1HD2 LEU 29 66.563 3.151 -13.138 232 2HD2 LEU 29 2HD2 LEU 29 65.302 3.247 -14.366 233 3HD2 LEU 29 3HD2 LEU 29 65.787 4.696 -13.486 234 H GLY 30 H GLY 30 68.711 2.296 -11.135 235 1HA GLY 30 1HA GLY 30 70.333 3.964 -12.150 236 2HA GLY 30 2HA GLY 30 69.765 5.088 -10.915 237 H ALA 31 H ALA 31 69.644 2.452 -9.174 238 HA ALA 31 HA ALA 31 72.023 2.926 -7.674 239 1HB ALA 31 1HB ALA 31 69.690 1.279 -7.633 240 2HB ALA 31 2HB ALA 31 71.084 0.234 -7.366 241 3HB ALA 31 3HB ALA 31 70.800 1.613 -6.304 242 H GLU 32 H GLU 32 73.925 1.533 -7.482 243 HA GLU 32 HA GLU 32 74.714 0.334 -10.090 244 1HB GLU 32 1HB GLU 32 75.963 2.101 -8.545 245 2HB GLU 32 2HB GLU 32 76.523 0.646 -7.718 246 1HG GLU 32 1HG GLU 32 76.689 0.455 -10.644 247 2HG GLU 32 2HG GLU 32 77.692 1.739 -9.970 248 H ASP 33 H ASP 33 73.255 -0.746 -7.337 249 HA ASP 33 HA ASP 33 74.389 -3.485 -7.694 250 1HB ASP 33 1HB ASP 33 75.290 -1.922 -5.722 251 2HB ASP 33 2HB ASP 33 73.811 -2.478 -4.935 252 H GLY 34 H GLY 34 71.796 -2.050 -8.364 253 1HA GLY 34 1HA GLY 34 69.481 -2.424 -8.185 254 2HA GLY 34 2HA GLY 34 69.953 -4.106 -7.946 255 H CYS 35 H CYS 35 70.694 -1.376 -5.798 256 HA CYS 35 HA CYS 35 68.835 -2.550 -3.765 257 1HB CYS 35 1HB CYS 35 71.791 -1.963 -3.615 258 2HB CYS 35 2HB CYS 35 70.806 -2.020 -2.154 259 HG CYS 35 HG CYS 35 70.255 -4.511 -2.653 260 H ILE 36 H ILE 36 68.763 -0.919 -1.802 261 HA ILE 36 HA ILE 36 68.481 1.829 -2.956 262 HB ILE 36 HB ILE 36 67.237 0.657 -0.453 263 1HG1 ILE 36 1HG1 ILE 36 66.182 0.700 -3.300 264 2HG1 ILE 36 2HG1 ILE 36 66.604 -0.737 -2.368 265 1HG2 ILE 36 1HG2 ILE 36 67.315 3.254 -1.545 266 2HG2 ILE 36 2HG2 ILE 36 65.710 2.630 -1.928 267 3HG2 ILE 36 3HG2 ILE 36 66.261 2.678 -0.253 268 1HD1 ILE 36 1HD1 ILE 36 64.509 1.258 -1.476 269 2HD1 ILE 36 2HD1 ILE 36 64.129 -0.188 -2.413 270 3HD1 ILE 36 3HD1 ILE 36 64.826 -0.340 -0.799 271 H SER 37 H SER 37 69.500 3.548 -1.940 272 HA SER 37 HA SER 37 70.968 3.065 0.618 273 1HB SER 37 1HB SER 37 72.016 3.274 -2.073 274 2HB SER 37 2HB SER 37 72.641 4.571 -1.063 275 HG SER 37 HG SER 37 73.165 1.893 -1.013 276 H THR 38 H THR 38 68.592 4.586 -0.065 277 HA THR 38 HA THR 38 67.659 6.665 0.570 278 HB THR 38 HB THR 38 68.903 8.018 1.989 279 HG1 THR 38 HG1 THR 38 71.296 8.038 1.701 280 1HG2 THR 38 1HG2 THR 38 69.322 5.310 2.268 281 2HG2 THR 38 2HG2 THR 38 70.962 5.961 2.329 282 3HG2 THR 38 3HG2 THR 38 69.741 6.534 3.465 283 H LYS 39 H LYS 39 70.819 7.112 -1.089 284 HA LYS 39 HA LYS 39 70.321 9.447 -2.516 285 1HB LYS 39 1HB LYS 39 72.332 7.801 -2.452 286 2HB LYS 39 2HB LYS 39 71.520 6.980 -3.785 287 1HG LYS 39 1HG LYS 39 72.893 8.489 -4.926 288 2HG LYS 39 2HG LYS 39 71.379 9.388 -4.822 289 1HD LYS 39 1HD LYS 39 72.311 10.334 -2.607 290 2HD LYS 39 2HD LYS 39 73.873 9.724 -3.156 291 1HE LYS 39 1HE LYS 39 72.108 11.762 -4.554 292 2HE LYS 39 2HE LYS 39 73.749 12.004 -3.921 293 1HZ LYS 39 1HZ LYS 39 74.247 9.950 -5.430 294 2HZ LYS 39 2HZ LYS 39 72.872 10.483 -6.275 295 3HZ LYS 39 3HZ LYS 39 74.212 11.511 -6.095 296 H GLU 40 H GLU 40 69.159 6.162 -3.225 297 HA GLU 40 HA GLU 40 67.654 7.122 -5.600 298 1HB GLU 40 1HB GLU 40 67.691 4.347 -4.398 299 2HB GLU 40 2HB GLU 40 67.435 4.801 -6.082 300 1HG GLU 40 1HG GLU 40 70.037 5.238 -4.590 301 2HG GLU 40 2HG GLU 40 69.718 3.850 -5.630 302 H LEU 41 H LEU 41 67.184 6.074 -2.281 303 HA LEU 41 HA LEU 41 64.312 5.696 -2.427 304 1HB LEU 41 1HB LEU 41 66.144 4.856 -0.763 305 2HB LEU 41 2HB LEU 41 65.902 6.411 0.030 306 HG LEU 41 HG LEU 41 64.421 4.905 1.128 307 1HD1 LEU 41 1HD1 LEU 41 63.484 7.137 0.255 308 2HD1 LEU 41 2HD1 LEU 41 62.652 6.172 -0.966 309 3HD1 LEU 41 3HD1 LEU 41 62.310 5.915 0.745 310 1HD2 LEU 41 1HD2 LEU 41 64.170 3.795 -1.595 311 2HD2 LEU 41 2HD2 LEU 41 64.063 2.982 -0.033 312 3HD2 LEU 41 3HD2 LEU 41 62.661 3.832 -0.683 313 H GLY 42 H GLY 42 66.394 8.356 -1.236 314 1HA GLY 42 1HA GLY 42 64.235 10.068 -0.447 315 2HA GLY 42 2HA GLY 42 65.884 10.599 -0.774 316 H LYS 43 H LYS 43 65.632 9.363 -3.563 317 HA LYS 43 HA LYS 43 64.906 11.734 -4.971 318 1HB LYS 43 1HB LYS 43 66.263 10.373 -6.227 319 2HB LYS 43 2HB LYS 43 65.618 8.903 -5.503 320 1HG LYS 43 1HG LYS 43 63.917 8.722 -7.043 321 2HG LYS 43 2HG LYS 43 63.818 10.463 -7.298 322 1HD LYS 43 1HD LYS 43 64.790 9.138 -9.242 323 2HD LYS 43 2HD LYS 43 65.794 10.466 -8.659 324 1HE LYS 43 1HE LYS 43 67.435 9.055 -7.931 325 2HE LYS 43 2HE LYS 43 66.266 7.886 -7.286 326 1HZ LYS 43 1HZ LYS 43 66.467 8.300 -10.194 327 2HZ LYS 43 2HZ LYS 43 67.597 7.299 -9.419 328 3HZ LYS 43 3HZ LYS 43 65.941 6.930 -9.340 329 H VAL 44 H VAL 44 63.015 9.048 -3.773 330 HA VAL 44 HA VAL 44 60.683 9.622 -5.464 331 HB VAL 44 HB VAL 44 61.267 7.806 -3.108 332 1HG1 VAL 44 1HG1 VAL 44 58.729 8.658 -4.192 333 2HG1 VAL 44 2HG1 VAL 44 58.964 6.936 -4.492 334 3HG1 VAL 44 3HG1 VAL 44 59.047 7.563 -2.846 335 1HG2 VAL 44 1HG2 VAL 44 61.881 7.650 -5.847 336 2HG2 VAL 44 2HG2 VAL 44 61.954 6.333 -4.676 337 3HG2 VAL 44 3HG2 VAL 44 60.492 6.584 -5.630 338 H MET 45 H MET 45 61.926 10.608 -2.351 339 HA MET 45 HA MET 45 59.496 11.357 -1.048 340 1HB MET 45 1HB MET 45 62.272 12.584 -0.948 341 2HB MET 45 2HB MET 45 61.021 12.780 0.280 342 1HG MET 45 1HG MET 45 62.380 10.197 -0.533 343 2HG MET 45 2HG MET 45 62.523 11.028 1.016 344 1HE MET 45 1HE MET 45 61.033 8.699 -1.163 345 2HE MET 45 2HE MET 45 59.570 8.038 -0.421 346 3HE MET 45 3HE MET 45 59.488 9.516 -1.377 347 H ARG 46 H ARG 46 61.708 13.299 -3.103 348 HA ARG 46 HA ARG 46 60.219 15.724 -3.030 349 1HB ARG 46 1HB ARG 46 61.609 16.319 -4.906 350 2HB ARG 46 2HB ARG 46 62.575 15.262 -3.880 351 1HG ARG 46 1HG ARG 46 62.248 13.393 -5.321 352 2HG ARG 46 2HG ARG 46 60.952 14.203 -6.201 353 1HD ARG 46 1HD ARG 46 62.752 14.512 -7.669 354 2HD ARG 46 2HD ARG 46 62.858 15.995 -6.697 355 HE ARG 46 HE ARG 46 64.294 13.861 -5.403 356 1HH1 ARG 46 1HH1 ARG 46 64.408 16.402 -7.709 357 2HH1 ARG 46 2HH1 ARG 46 66.124 16.320 -7.924 358 1HH2 ARG 46 1HH2 ARG 46 66.525 13.599 -5.812 359 2HH2 ARG 46 2HH2 ARG 46 67.325 14.735 -6.847 360 H MET 47 H MET 47 59.793 12.784 -4.924 361 HA MET 47 HA MET 47 57.924 13.916 -6.842 362 1HB MET 47 1HB MET 47 58.881 11.206 -5.968 363 2HB MET 47 2HB MET 47 57.461 11.314 -7.010 364 1HG MET 47 1HG MET 47 58.665 12.097 -8.804 365 2HG MET 47 2HG MET 47 59.822 12.953 -7.785 366 1HE MET 47 1HE MET 47 58.453 9.442 -7.425 367 2HE MET 47 2HE MET 47 58.697 9.411 -9.170 368 3HE MET 47 3HE MET 47 59.673 8.375 -8.134 369 H LEU 48 H LEU 48 57.660 12.320 -3.696 370 HA LEU 48 HA LEU 48 54.724 12.157 -3.822 371 1HB LEU 48 1HB LEU 48 56.793 11.664 -1.657 372 2HB LEU 48 2HB LEU 48 55.077 11.294 -1.491 373 HG LEU 48 HG LEU 48 56.639 10.214 -3.826 374 1HD1 LEU 48 1HD1 LEU 48 56.995 9.546 -1.005 375 2HD1 LEU 48 2HD1 LEU 48 56.479 8.153 -1.956 376 3HD1 LEU 48 3HD1 LEU 48 57.940 9.033 -2.403 377 1HD2 LEU 48 1HD2 LEU 48 53.969 10.108 -2.987 378 2HD2 LEU 48 2HD2 LEU 48 54.718 9.088 -4.216 379 3HD2 LEU 48 3HD2 LEU 48 54.632 8.535 -2.544 380 H GLY 49 H GLY 49 56.579 14.763 -3.661 381 1HA GLY 49 1HA GLY 49 56.117 16.949 -2.908 382 2HA GLY 49 2HA GLY 49 54.629 16.334 -2.186 383 H GLN 50 H GLN 50 57.703 14.845 -1.466 384 HA GLN 50 HA GLN 50 57.677 16.144 1.237 385 1HB GLN 50 1HB GLN 50 57.706 13.267 0.372 386 2HB GLN 50 2HB GLN 50 58.486 13.716 1.889 387 1HG GLN 50 1HG GLN 50 56.131 15.066 2.119 388 2HG GLN 50 2HG GLN 50 55.611 13.660 1.190 389 1HE2 GLN 50 2HE2 GLN 50 55.240 11.767 2.375 390 2HE2 GLN 50 1HE2 GLN 50 55.772 11.505 3.967 391 H ASN 51 H ASN 51 59.850 15.706 2.372 392 HA ASN 51 HA ASN 51 62.170 15.139 0.680 393 1HB ASN 51 1HB ASN 51 63.030 17.545 1.125 394 2HB ASN 51 2HB ASN 51 61.804 17.340 -0.126 395 1HD2 ASN 51 2HD2 ASN 51 61.364 19.730 0.433 396 2HD2 ASN 51 1HD2 ASN 51 60.304 20.052 1.720 397 HA PRO 52 HA PRO 52 62.637 14.523 5.237 398 1HB PRO 52 1HB PRO 52 63.602 11.969 5.044 399 2HB PRO 52 2HB PRO 52 61.869 12.346 5.111 400 1HG PRO 52 1HG PRO 52 63.568 11.671 2.765 401 2HG PRO 52 2HG PRO 52 61.900 11.204 3.123 402 1HD PRO 52 1HD PRO 52 62.574 13.186 1.369 403 2HD PRO 52 2HD PRO 52 61.037 13.138 2.259 404 H THR 53 H THR 53 64.570 14.995 6.256 405 HA THR 53 HA THR 53 66.910 15.705 4.797 406 HB THR 53 HB THR 53 67.756 15.228 7.365 407 HG1 THR 53 HG1 THR 53 66.011 15.479 8.700 408 1HG2 THR 53 1HG2 THR 53 66.908 17.421 5.783 409 2HG2 THR 53 2HG2 THR 53 66.140 17.606 7.359 410 3HG2 THR 53 3HG2 THR 53 67.894 17.466 7.244 411 HA PRO 54 HA PRO 54 69.164 11.962 4.379 412 1HB PRO 54 1HB PRO 54 71.690 12.631 5.197 413 2HB PRO 54 2HB PRO 54 70.988 13.202 3.670 414 1HG PRO 54 1HG PRO 54 71.271 14.621 6.270 415 2HG PRO 54 2HG PRO 54 71.464 15.236 4.621 416 1HD PRO 54 1HD PRO 54 69.234 15.660 6.133 417 2HD PRO 54 2HD PRO 54 69.221 15.609 4.357 418 H GLU 55 H GLU 55 69.247 13.538 7.510 419 HA GLU 55 HA GLU 55 70.447 11.393 9.022 420 1HB GLU 55 1HB GLU 55 69.800 13.973 9.468 421 2HB GLU 55 2HB GLU 55 68.402 13.207 10.220 422 1HG GLU 55 1HG GLU 55 70.218 13.537 11.860 423 2HG GLU 55 2HG GLU 55 69.901 11.821 11.604 424 H GLU 56 H GLU 56 67.087 12.243 8.198 425 HA GLU 56 HA GLU 56 65.983 9.966 9.696 426 1HB GLU 56 1HB GLU 56 65.107 12.440 8.782 427 2HB GLU 56 2HB GLU 56 64.294 11.306 7.703 428 1HG GLU 56 1HG GLU 56 63.270 10.152 9.524 429 2HG GLU 56 2HG GLU 56 64.307 10.952 10.705 430 H LEU 57 H LEU 57 67.018 10.681 6.427 431 HA LEU 57 HA LEU 57 65.603 8.762 4.916 432 1HB LEU 57 1HB LEU 57 67.883 10.474 4.709 433 2HB LEU 57 2HB LEU 57 68.349 8.886 4.100 434 HG LEU 57 HG LEU 57 65.993 10.562 3.194 435 1HD1 LEU 57 1HD1 LEU 57 68.687 9.860 2.105 436 2HD1 LEU 57 2HD1 LEU 57 67.349 9.997 0.965 437 3HD1 LEU 57 3HD1 LEU 57 67.788 11.371 1.980 438 1HD2 LEU 57 1HD2 LEU 57 66.210 7.745 3.292 439 2HD2 LEU 57 2HD2 LEU 57 65.018 8.689 2.399 440 3HD2 LEU 57 3HD2 LEU 57 66.519 8.195 1.615 441 H GLN 58 H GLN 58 68.970 8.281 6.030 442 HA GLN 58 HA GLN 58 69.256 5.565 5.646 443 1HB GLN 58 1HB GLN 58 70.711 7.490 6.787 444 2HB GLN 58 2HB GLN 58 70.130 6.724 8.266 445 1HG GLN 58 1HG GLN 58 71.231 4.986 6.085 446 2HG GLN 58 2HG GLN 58 72.357 5.880 7.108 447 1HE2 GLN 58 2HE2 GLN 58 71.512 2.874 6.960 448 2HE2 GLN 58 1HE2 GLN 58 71.191 2.483 8.582 449 H GLU 59 H GLU 59 67.362 7.154 8.166 450 HA GLU 59 HA GLU 59 66.927 5.012 9.952 451 1HB GLU 59 1HB GLU 59 66.110 7.593 9.665 452 2HB GLU 59 2HB GLU 59 64.619 6.742 9.256 453 1HG GLU 59 1HG GLU 59 65.337 5.326 11.433 454 2HG GLU 59 2HG GLU 59 66.073 6.875 11.848 455 H MET 60 H MET 60 65.145 5.847 6.961 456 HA MET 60 HA MET 60 63.143 3.856 7.060 457 1HB MET 60 1HB MET 60 64.451 5.610 5.116 458 2HB MET 60 2HB MET 60 63.894 4.105 4.383 459 1HG MET 60 1HG MET 60 61.806 4.943 4.364 460 2HG MET 60 2HG MET 60 61.830 4.940 6.128 461 1HE MET 60 1HE MET 60 61.079 6.446 3.317 462 2HE MET 60 2HE MET 60 60.932 8.181 3.630 463 3HE MET 60 3HE MET 60 62.394 7.537 2.886 464 H ILE 61 H ILE 61 66.491 3.652 5.851 465 HA ILE 61 HA ILE 61 66.227 0.881 4.979 466 HB ILE 61 HB ILE 61 68.447 2.891 5.355 467 1HG1 ILE 61 1HG1 ILE 61 68.567 2.122 2.794 468 2HG1 ILE 61 2HG1 ILE 61 66.885 1.691 3.108 469 1HG2 ILE 61 1HG2 ILE 61 69.327 0.634 5.942 470 2HG2 ILE 61 2HG2 ILE 61 68.760 0.033 4.384 471 3HG2 ILE 61 3HG2 ILE 61 70.028 1.258 4.450 472 1HD1 ILE 61 1HD1 ILE 61 67.707 4.343 4.130 473 2HD1 ILE 61 2HD1 ILE 61 67.694 4.190 2.373 474 3HD1 ILE 61 3HD1 ILE 61 66.228 3.866 3.297 475 H ASP 62 H ASP 62 67.900 2.496 7.711 476 HA ASP 62 HA ASP 62 68.921 0.209 9.007 477 1HB ASP 62 1HB ASP 62 69.453 2.524 9.599 478 2HB ASP 62 2HB ASP 62 67.789 2.798 10.117 479 H GLU 63 H GLU 63 65.659 1.614 9.138 480 HA GLU 63 HA GLU 63 64.555 0.195 11.301 481 1HB GLU 63 1HB GLU 63 63.690 1.962 9.460 482 2HB GLU 63 2HB GLU 63 62.957 0.497 8.803 483 1HG GLU 63 1HG GLU 63 62.059 0.041 11.140 484 2HG GLU 63 2HG GLU 63 62.575 1.673 11.565 485 H VAL 64 H VAL 64 65.452 -0.971 8.115 486 HA VAL 64 HA VAL 64 64.510 -3.700 8.919 487 HB VAL 64 HB VAL 64 63.823 -3.970 6.520 488 1HG1 VAL 64 1HG1 VAL 64 62.628 -1.903 8.337 489 2HG1 VAL 64 2HG1 VAL 64 61.945 -2.120 6.725 490 3HG1 VAL 64 3HG1 VAL 64 61.984 -3.473 7.857 491 1HG2 VAL 64 1HG2 VAL 64 65.420 -2.080 5.792 492 2HG2 VAL 64 2HG2 VAL 64 63.833 -2.121 5.026 493 3HG2 VAL 64 3HG2 VAL 64 64.156 -0.971 6.324 494 H ASP 65 H ASP 65 67.182 -2.712 9.203 495 HA ASP 65 HA ASP 65 68.629 -4.034 6.936 496 1HB ASP 65 1HB ASP 65 68.896 -1.546 8.087 497 2HB ASP 65 2HB ASP 65 70.134 -2.473 8.936 498 H GLU 66 H GLU 66 68.691 -6.206 7.622 499 HA GLU 66 HA GLU 66 69.752 -6.735 10.372 500 1HB GLU 66 1HB GLU 66 68.063 -8.277 8.393 501 2HB GLU 66 2HB GLU 66 68.795 -9.060 9.795 502 1HG GLU 66 1HG GLU 66 66.882 -6.708 9.850 503 2HG GLU 66 2HG GLU 66 66.525 -8.359 10.359 504 H ASP 67 H ASP 67 71.342 -6.035 7.875 505 HA ASP 67 HA ASP 67 73.104 -8.455 7.917 506 1HB ASP 67 1HB ASP 67 73.414 -7.945 5.420 507 2HB ASP 67 2HB ASP 67 71.851 -8.615 5.889 508 H GLY 68 H GLY 68 72.873 -5.245 8.611 509 1HA GLY 68 1HA GLY 68 74.458 -3.546 8.934 510 2HA GLY 68 2HA GLY 68 75.662 -4.835 8.939 511 H SER 69 H SER 69 73.510 -4.006 6.244 512 HA SER 69 HA SER 69 75.935 -3.554 4.564 513 1HB SER 69 1HB SER 69 74.532 -4.209 2.763 514 2HB SER 69 2HB SER 69 74.035 -5.247 4.096 515 HG SER 69 HG SER 69 72.157 -4.428 3.438 516 H GLY 70 H GLY 70 72.867 -2.038 5.531 517 1HA GLY 70 1HA GLY 70 72.535 0.329 5.745 518 2HA GLY 70 2HA GLY 70 73.989 0.595 4.783 519 H THR 71 H THR 71 71.817 -1.758 3.542 520 HA THR 71 HA THR 71 70.566 0.250 1.708 521 HB THR 71 HB THR 71 71.124 -1.379 -0.145 522 HG1 THR 71 HG1 THR 71 71.866 -3.224 0.468 523 1HG2 THR 71 1HG2 THR 71 72.625 0.628 0.899 524 2HG2 THR 71 2HG2 THR 71 73.751 -0.720 1.055 525 3HG2 THR 71 3HG2 THR 71 73.097 -0.297 -0.527 526 H VAL 72 H VAL 72 68.846 -1.025 0.304 527 HA VAL 72 HA VAL 72 67.522 -3.107 2.004 528 HB VAL 72 HB VAL 72 66.377 -0.609 0.725 529 1HG1 VAL 72 1HG1 VAL 72 65.083 -3.046 0.842 530 2HG1 VAL 72 2HG1 VAL 72 64.589 -2.285 2.353 531 3HG1 VAL 72 3HG1 VAL 72 64.280 -1.476 0.817 532 1HG2 VAL 72 1HG2 VAL 72 67.523 -0.496 2.987 533 2HG2 VAL 72 2HG2 VAL 72 65.832 0.008 2.989 534 3HG2 VAL 72 3HG2 VAL 72 66.277 -1.590 3.589 535 H ASP 73 H ASP 73 66.393 -4.694 0.839 536 HA ASP 73 HA ASP 73 66.568 -4.545 -2.155 537 1HB ASP 73 1HB ASP 73 67.621 -6.460 -0.177 538 2HB ASP 73 2HB ASP 73 66.746 -7.221 -1.506 539 H PHE 74 H PHE 74 65.095 -6.553 -2.993 540 HA PHE 74 HA PHE 74 62.389 -5.929 -2.347 541 1HB PHE 74 1HB PHE 74 63.347 -7.033 -4.426 542 2HB PHE 74 2HB PHE 74 63.473 -8.522 -3.487 543 HD1 PHE 74 HD1 PHE 74 60.873 -5.823 -3.697 544 HD2 PHE 74 HD2 PHE 74 61.771 -10.007 -4.077 545 HE1 PHE 74 HE1 PHE 74 58.477 -6.298 -4.120 546 HE2 PHE 74 HE2 PHE 74 59.374 -10.482 -4.502 547 HZ PHE 74 HZ PHE 74 57.728 -8.627 -4.523 548 H ASP 75 H ASP 75 64.697 -7.817 -0.656 549 HA ASP 75 HA ASP 75 62.749 -9.594 0.653 550 1HB ASP 75 1HB ASP 75 65.382 -9.758 0.062 551 2HB ASP 75 2HB ASP 75 65.497 -9.153 1.715 552 H GLU 76 H GLU 76 64.837 -6.853 1.633 553 HA GLU 76 HA GLU 76 63.663 -6.680 4.295 554 1HB GLU 76 1HB GLU 76 65.439 -4.886 2.615 555 2HB GLU 76 2HB GLU 76 65.045 -4.561 4.303 556 1HG GLU 76 1HG GLU 76 65.960 -6.820 4.892 557 2HG GLU 76 2HG GLU 76 66.483 -6.997 3.216 558 H PHE 77 H PHE 77 63.235 -4.984 1.202 559 HA PHE 77 HA PHE 77 61.630 -2.814 2.006 560 1HB PHE 77 1HB PHE 77 62.599 -3.612 -0.293 561 2HB PHE 77 2HB PHE 77 61.057 -4.452 -0.458 562 HD1 PHE 77 HD1 PHE 77 62.397 -1.081 0.515 563 HD2 PHE 77 HD2 PHE 77 59.266 -3.305 -1.411 564 HE1 PHE 77 HE1 PHE 77 61.312 1.041 -0.173 565 HE2 PHE 77 HE2 PHE 77 58.182 -1.184 -2.098 566 HZ PHE 77 HZ PHE 77 59.204 0.989 -1.479 567 H LEU 78 H LEU 78 60.467 -6.028 0.893 568 HA LEU 78 HA LEU 78 57.740 -5.786 1.260 569 1HB LEU 78 1HB LEU 78 59.748 -7.965 1.724 570 2HB LEU 78 2HB LEU 78 58.065 -8.264 2.160 571 HG LEU 78 HG LEU 78 59.051 -7.357 -0.560 572 1HD1 LEU 78 1HD1 LEU 78 58.064 -10.004 0.524 573 2HD1 LEU 78 2HD1 LEU 78 58.088 -9.638 -1.202 574 3HD1 LEU 78 3HD1 LEU 78 59.594 -9.668 -0.286 575 1HD2 LEU 78 1HD2 LEU 78 56.503 -7.116 0.707 576 2HD2 LEU 78 2HD2 LEU 78 56.922 -6.744 -0.965 577 3HD2 LEU 78 3HD2 LEU 78 56.367 -8.362 -0.534 578 H VAL 79 H VAL 79 60.079 -6.622 3.849 579 HA VAL 79 HA VAL 79 58.217 -6.746 5.995 580 HB VAL 79 HB VAL 79 61.152 -6.062 5.744 581 1HG1 VAL 79 1HG1 VAL 79 59.404 -5.585 7.995 582 2HG1 VAL 79 2HG1 VAL 79 60.577 -6.837 8.400 583 3HG1 VAL 79 3HG1 VAL 79 61.130 -5.257 7.846 584 1HG2 VAL 79 1HG2 VAL 79 59.509 -8.473 6.053 585 2HG2 VAL 79 2HG2 VAL 79 61.181 -8.318 5.515 586 3HG2 VAL 79 3HG2 VAL 79 60.810 -8.374 7.239 587 H MET 80 H MET 80 60.131 -3.989 4.753 588 HA MET 80 HA MET 80 59.436 -2.011 6.617 589 1HB MET 80 1HB MET 80 60.876 -2.110 4.368 590 2HB MET 80 2HB MET 80 59.420 -1.379 3.689 591 1HG MET 80 1HG MET 80 59.597 0.532 5.032 592 2HG MET 80 2HG MET 80 60.618 -0.279 6.220 593 1HE MET 80 1HE MET 80 60.030 1.137 2.957 594 2HE MET 80 2HE MET 80 60.974 2.505 3.543 595 3HE MET 80 3HE MET 80 61.573 1.524 2.198 596 H MET 81 H MET 81 57.697 -2.748 3.568 597 HA MET 81 HA MET 81 55.526 -1.001 3.832 598 1HB MET 81 1HB MET 81 55.974 -3.727 2.654 599 2HB MET 81 2HB MET 81 54.348 -3.045 2.628 600 1HG MET 81 1HG MET 81 56.599 -1.287 1.755 601 2HG MET 81 2HG MET 81 56.092 -2.571 0.657 602 1HE MET 81 1HE MET 81 56.205 0.195 -0.038 603 2HE MET 81 2HE MET 81 55.180 -0.591 -1.247 604 3HE MET 81 3HE MET 81 54.666 0.919 -0.498 605 H VAL 82 H VAL 82 55.959 -4.219 5.307 606 HA VAL 82 HA VAL 82 53.343 -4.439 6.461 607 HB VAL 82 HB VAL 82 55.933 -5.523 7.591 608 1HG1 VAL 82 1HG1 VAL 82 53.070 -6.507 7.467 609 2HG1 VAL 82 2HG1 VAL 82 54.421 -7.507 8.003 610 3HG1 VAL 82 3HG1 VAL 82 53.982 -6.059 8.908 611 1HG2 VAL 82 1HG2 VAL 82 54.880 -5.829 4.922 612 2HG2 VAL 82 2HG2 VAL 82 56.336 -6.541 5.620 613 3HG2 VAL 82 3HG2 VAL 82 54.786 -7.372 5.771 614 H ARG 83 H ARG 83 56.441 -3.361 7.921 615 HA ARG 83 HA ARG 83 55.572 -2.695 10.492 616 1HB ARG 83 1HB ARG 83 57.566 -1.521 8.559 617 2HB ARG 83 2HB ARG 83 57.370 -0.823 10.167 618 1HG ARG 83 1HG ARG 83 57.524 -3.449 10.817 619 2HG ARG 83 2HG ARG 83 58.531 -3.434 9.368 620 1HD ARG 83 1HD ARG 83 59.835 -1.525 10.346 621 2HD ARG 83 2HD ARG 83 58.893 -1.706 11.841 622 HE ARG 83 HE ARG 83 60.756 -3.756 10.735 623 1HH1 ARG 83 1HH1 ARG 83 58.059 -4.191 12.449 624 2HH1 ARG 83 2HH1 ARG 83 58.797 -4.631 13.952 625 1HH2 ARG 83 1HH2 ARG 83 61.974 -3.628 12.991 626 2HH2 ARG 83 2HH2 ARG 83 61.013 -4.314 14.258 627 H CYS 84 H CYS 84 55.139 -0.873 7.480 628 HA CYS 84 HA CYS 84 53.637 1.237 8.975 629 1HB CYS 84 1HB CYS 84 53.978 2.505 6.854 630 2HB CYS 84 2HB CYS 84 55.502 1.940 7.538 631 HG CYS 84 HG CYS 84 55.641 1.187 5.095 632 H MET 85 H MET 85 52.583 -1.503 8.275 633 HA MET 85 HA MET 85 50.248 -0.601 6.620 634 1HB MET 85 1HB MET 85 52.145 -2.856 6.349 635 2HB MET 85 2HB MET 85 50.448 -3.295 6.156 636 1HG MET 85 1HG MET 85 51.615 -0.909 4.724 637 2HG MET 85 2HG MET 85 51.729 -2.531 4.042 638 1HE MET 85 1HE MET 85 49.590 -4.078 4.668 639 2HE MET 85 2HE MET 85 48.104 -3.705 3.798 640 3HE MET 85 3HE MET 85 49.636 -3.836 2.924 641 H LYS 86 H LYS 86 48.973 -0.263 8.539 642 HA LYS 86 HA LYS 86 47.810 -2.717 9.658 643 1HB LYS 86 1HB LYS 86 49.925 -2.337 10.936 644 2HB LYS 86 2HB LYS 86 49.319 -0.750 11.410 645 1HG LYS 86 1HG LYS 86 47.206 -2.220 12.162 646 2HG LYS 86 2HG LYS 86 48.455 -3.456 12.317 647 1HD LYS 86 1HD LYS 86 48.777 -2.540 14.377 648 2HD LYS 86 2HD LYS 86 49.691 -1.321 13.488 649 1HE LYS 86 1HE LYS 86 46.837 -0.732 13.422 650 2HE LYS 86 2HE LYS 86 47.443 -0.836 15.087 651 1HZ LYS 86 1HZ LYS 86 48.883 0.618 12.942 652 2HZ LYS 86 2HZ LYS 86 47.762 1.379 13.962 653 3HZ LYS 86 3HZ LYS 86 49.167 0.682 14.615 654 H ASP 87 H ASP 87 45.950 -1.602 8.611 655 HA ASP 87 HA ASP 87 44.616 0.241 10.503 656 1HB ASP 87 1HB ASP 87 46.073 1.562 8.890 657 2HB ASP 87 2HB ASP 87 45.032 0.976 7.592 658 H ASP 88 H ASP 88 43.196 -1.687 10.631 659 HA ASP 88 HA ASP 88 41.895 -2.990 8.514 660 1HB ASP 88 1HB ASP 88 41.854 -3.295 11.101 661 2HB ASP 88 2HB ASP 88 40.490 -2.176 11.056 662 H SER 89 H SER 89 39.626 -2.669 7.739 663 HA SER 89 HA SER 89 39.058 0.233 7.309 664 1HB SER 89 1HB SER 89 39.188 -0.713 5.215 665 2HB SER 89 2HB SER 89 38.765 -2.318 5.808 666 HG SER 89 HG SER 89 37.193 -0.834 4.508 667 1H ARG 1 1H ARG 1 58.528 6.776 6.729 668 2H ARG 1 2H ARG 1 58.202 6.618 8.389 669 3H ARG 1 3H ARG 1 57.905 5.320 7.334 670 HA ARG 1 HA ARG 1 55.782 6.153 7.595 671 1HB ARG 1 1HB ARG 1 55.424 8.568 7.918 672 2HB ARG 1 2HB ARG 1 56.669 7.986 9.023 673 1HG ARG 1 1HG ARG 1 58.074 8.665 6.706 674 2HG ARG 1 2HG ARG 1 56.880 9.952 6.884 675 1HD ARG 1 1HD ARG 1 57.859 9.483 9.489 676 2HD ARG 1 2HD ARG 1 59.284 9.504 8.432 677 HE ARG 1 HE ARG 1 57.608 11.615 7.585 678 1HH1 ARG 1 1HH1 ARG 1 58.596 10.758 10.721 679 2HH1 ARG 1 2HH1 ARG 1 59.259 12.310 11.106 680 1HH2 ARG 1 1HH2 ARG 1 58.815 13.587 7.913 681 2HH2 ARG 1 2HH2 ARG 1 59.382 13.912 9.517 682 H ILE 2 H ILE 2 55.764 5.202 5.410 683 HA ILE 2 HA ILE 2 55.905 7.249 3.220 684 HB ILE 2 HB ILE 2 56.367 4.253 3.287 685 1HG1 ILE 2 1HG1 ILE 2 58.149 6.641 2.708 686 2HG1 ILE 2 2HG1 ILE 2 58.254 5.565 4.102 687 1HG2 ILE 2 1HG2 ILE 2 56.154 6.189 0.973 688 2HG2 ILE 2 2HG2 ILE 2 57.013 4.654 0.840 689 3HG2 ILE 2 3HG2 ILE 2 55.287 4.670 1.202 690 1HD1 ILE 2 1HD1 ILE 2 58.485 4.526 1.277 691 2HD1 ILE 2 2HD1 ILE 2 59.889 5.114 2.167 692 3HD1 ILE 2 3HD1 ILE 2 58.974 3.733 2.774 693 H SER 3 H SER 3 53.930 7.749 2.365 694 HA SER 3 HA SER 3 51.563 6.133 3.048 695 1HB SER 3 1HB SER 3 50.672 8.110 1.441 696 2HB SER 3 2HB SER 3 51.052 8.377 3.140 697 HG SER 3 HG SER 3 52.062 9.860 1.618 698 H ALA 4 H ALA 4 50.816 4.528 1.720 699 HA ALA 4 HA ALA 4 52.026 3.883 -0.806 700 1HB ALA 4 1HB ALA 4 49.430 3.088 0.550 701 2HB ALA 4 2HB ALA 4 50.059 2.298 -0.896 702 3HB ALA 4 3HB ALA 4 50.967 2.224 0.614 703 H ASP 5 H ASP 5 49.146 5.735 0.099 704 HA ASP 5 HA ASP 5 47.870 5.910 -2.432 705 1HB ASP 5 1HB ASP 5 47.025 6.632 -0.172 706 2HB ASP 5 2HB ASP 5 48.094 8.031 -0.273 707 H ALA 6 H ALA 6 50.254 8.151 -0.957 708 HA ALA 6 HA ALA 6 50.476 9.869 -3.249 709 1HB ALA 6 1HB ALA 6 51.350 9.772 -0.623 710 2HB ALA 6 2HB ALA 6 52.847 9.583 -1.536 711 3HB ALA 6 3HB ALA 6 51.824 10.994 -1.802 712 H MET 7 H MET 7 52.615 7.239 -2.074 713 HA MET 7 HA MET 7 54.615 7.212 -3.977 714 1HB MET 7 1HB MET 7 53.078 5.148 -2.464 715 2HB MET 7 2HB MET 7 54.167 4.576 -3.727 716 1HG MET 7 1HG MET 7 54.958 6.444 -1.474 717 2HG MET 7 2HG MET 7 55.298 4.714 -1.517 718 1HE MET 7 1HE MET 7 56.750 3.521 -3.106 719 2HE MET 7 2HE MET 7 55.904 4.130 -4.527 720 3HE MET 7 3HE MET 7 57.662 4.220 -4.452 721 H MET 8 H MET 8 51.322 5.905 -4.391 722 HA MET 8 HA MET 8 51.840 5.028 -7.137 723 1HB MET 8 1HB MET 8 49.764 4.884 -5.071 724 2HB MET 8 2HB MET 8 49.102 5.068 -6.695 725 1HG MET 8 1HG MET 8 49.368 2.807 -6.800 726 2HG MET 8 2HG MET 8 51.050 3.211 -7.145 727 1HE MET 8 1HE MET 8 52.615 3.835 -5.546 728 2HE MET 8 2HE MET 8 52.090 4.192 -3.895 729 3HE MET 8 3HE MET 8 53.053 2.754 -4.226 730 H GLN 9 H GLN 9 50.034 7.696 -5.589 731 HA GLN 9 HA GLN 9 49.102 8.814 -8.102 732 1HB GLN 9 1HB GLN 9 49.260 9.714 -5.221 733 2HB GLN 9 2HB GLN 9 48.602 10.760 -6.481 734 1HG GLN 9 1HG GLN 9 46.898 9.141 -7.036 735 2HG GLN 9 2HG GLN 9 47.624 7.940 -5.967 736 1HE2 GLN 9 2HE2 GLN 9 44.938 9.647 -5.994 737 2HE2 GLN 9 1HE2 GLN 9 44.815 10.141 -4.375 738 H ALA 10 H ALA 10 51.713 9.718 -5.816 739 HA ALA 10 HA ALA 10 52.616 12.004 -7.304 740 1HB ALA 10 1HB ALA 10 53.532 10.251 -5.089 741 2HB ALA 10 2HB ALA 10 54.795 11.161 -5.916 742 3HB ALA 10 3HB ALA 10 53.443 12.011 -5.166 743 H LEU 11 H LEU 11 53.916 8.659 -7.145 744 HA LEU 11 HA LEU 11 54.994 9.058 -9.906 745 1HB LEU 11 1HB LEU 11 57.105 7.990 -9.107 746 2HB LEU 11 2HB LEU 11 56.770 9.505 -8.273 747 HG LEU 11 HG LEU 11 55.658 7.031 -7.045 748 1HD1 LEU 11 1HD1 LEU 11 58.188 6.762 -7.867 749 2HD1 LEU 11 2HD1 LEU 11 58.500 7.709 -6.411 750 3HD1 LEU 11 3HD1 LEU 11 57.665 6.159 -6.295 751 1HD2 LEU 11 1HD2 LEU 11 57.013 9.551 -6.033 752 2HD2 LEU 11 2HD2 LEU 11 55.286 9.199 -5.996 753 3HD2 LEU 11 3HD2 LEU 11 56.397 8.271 -4.988 754 H LEU 12 H LEU 12 56.355 6.306 -9.233 755 HA LEU 12 HA LEU 12 55.809 4.035 -9.595 756 1HB LEU 12 1HB LEU 12 53.620 5.251 -7.986 757 2HB LEU 12 2HB LEU 12 53.279 3.679 -8.707 758 HG LEU 12 HG LEU 12 54.252 3.410 -6.461 759 1HD1 LEU 12 1HD1 LEU 12 54.932 2.029 -8.681 760 2HD1 LEU 12 2HD1 LEU 12 56.527 2.612 -8.201 761 3HD1 LEU 12 3HD1 LEU 12 55.570 1.642 -7.083 762 1HD2 LEU 12 1HD2 LEU 12 56.457 5.084 -7.676 763 2HD2 LEU 12 2HD2 LEU 12 55.563 5.377 -6.185 764 3HD2 LEU 12 3HD2 LEU 12 56.734 4.062 -6.266 765 H GLY 13 H GLY 13 55.824 4.688 -11.972 766 1HA GLY 13 1HA GLY 13 53.077 4.713 -13.144 767 2HA GLY 13 2HA GLY 13 54.527 5.280 -13.975 768 H ALA 14 H ALA 14 53.189 3.571 -15.463 769 HA ALA 14 HA ALA 14 54.746 1.027 -15.243 770 1HB ALA 14 1HB ALA 14 51.871 1.493 -14.994 771 2HB ALA 14 2HB ALA 14 52.244 0.327 -16.262 772 3HB ALA 14 3HB ALA 14 52.801 0.045 -14.613 773 H ARG 15 H ARG 15 52.533 2.935 -17.315 774 HA ARG 15 HA ARG 15 54.050 1.954 -19.703 775 1HB ARG 15 1HB ARG 15 51.254 2.450 -19.014 776 2HB ARG 15 2HB ARG 15 51.714 3.244 -20.523 777 1HG ARG 15 1HG ARG 15 52.914 0.731 -20.689 778 2HG ARG 15 2HG ARG 15 51.335 0.405 -19.975 779 1HD ARG 15 1HD ARG 15 51.187 0.343 -22.442 780 2HD ARG 15 2HD ARG 15 50.270 1.728 -21.816 781 HE ARG 15 HE ARG 15 52.102 3.189 -22.484 782 1HH1 ARG 15 1HH1 ARG 15 54.122 0.815 -22.191 783 2HH1 ARG 15 2HH1 ARG 15 54.642 0.672 -23.837 784 1HH2 ARG 15 1HH2 ARG 15 52.057 2.606 -25.102 785 2HH2 ARG 15 2HH2 ARG 15 53.474 1.686 -25.485 786 H ALA 16 H ALA 16 55.742 3.616 -19.246 787 HA ALA 16 HA ALA 16 54.894 6.315 -20.237 788 1HB ALA 16 1HB ALA 16 56.075 5.468 -17.692 789 2HB ALA 16 2HB ALA 16 57.007 6.741 -18.480 790 3HB ALA 16 3HB ALA 16 55.301 6.996 -18.109 791 H LYS 17 H LYS 17 55.929 6.464 -22.208 792 HA LYS 17 HA LYS 17 58.246 4.991 -22.989 793 1HB LYS 17 1HB LYS 17 56.367 6.748 -24.091 794 2HB LYS 17 2HB LYS 17 57.913 7.569 -24.311 795 1HG LYS 17 1HG LYS 17 58.822 5.401 -25.251 796 2HG LYS 17 2HG LYS 17 57.171 4.781 -25.231 797 1HD LYS 17 1HD LYS 17 56.432 6.541 -26.732 798 2HD LYS 17 2HD LYS 17 58.013 7.321 -26.655 799 1HE LYS 17 1HE LYS 17 57.380 4.606 -27.866 800 2HE LYS 17 2HE LYS 17 57.966 6.051 -28.713 801 1HZ LYS 17 1HZ LYS 17 59.832 5.946 -26.938 802 2HZ LYS 17 2HZ LYS 17 59.390 4.310 -26.814 803 3HZ LYS 17 3HZ LYS 17 59.924 4.938 -28.299 Start of MODEL 37 1 1H MET 1 1H MET 1 64.380 -15.127 15.442 2 2H MET 1 2H MET 1 65.813 -15.246 14.539 3 3H MET 1 3H MET 1 65.721 -14.163 15.840 4 HA MET 1 HA MET 1 65.466 -12.797 13.968 5 1HB MET 1 1HB MET 1 64.085 -13.534 12.082 6 2HB MET 1 2HB MET 1 65.234 -14.805 12.496 7 1HG MET 1 1HG MET 1 63.539 -16.041 13.697 8 2HG MET 1 2HG MET 1 62.389 -14.713 13.534 9 1HE MET 1 1HE MET 1 62.446 -17.663 13.079 10 2HE MET 1 2HE MET 1 60.988 -17.491 12.106 11 3HE MET 1 3HE MET 1 62.406 -18.282 11.421 12 H ASP 2 H ASP 2 63.225 -11.704 13.128 13 HA ASP 2 HA ASP 2 61.672 -11.193 15.595 14 1HB ASP 2 1HB ASP 2 60.944 -9.241 14.389 15 2HB ASP 2 2HB ASP 2 62.656 -9.449 14.013 16 H ASP 3 H ASP 3 59.254 -11.092 15.415 17 HA ASP 3 HA ASP 3 58.188 -13.119 13.473 18 1HB ASP 3 1HB ASP 3 57.968 -12.771 16.431 19 2HB ASP 3 2HB ASP 3 56.546 -13.379 15.582 20 H ILE 4 H ILE 4 55.491 -12.812 14.143 21 HA ILE 4 HA ILE 4 53.608 -11.433 13.791 22 HB ILE 4 HB ILE 4 55.543 -9.150 14.258 23 1HG1 ILE 4 1HG1 ILE 4 54.147 -10.938 16.276 24 2HG1 ILE 4 2HG1 ILE 4 55.888 -10.814 16.023 25 1HG2 ILE 4 1HG2 ILE 4 53.116 -8.768 13.528 26 2HG2 ILE 4 2HG2 ILE 4 52.653 -9.431 15.095 27 3HG2 ILE 4 3HG2 ILE 4 53.623 -7.961 15.012 28 1HD1 ILE 4 1HD1 ILE 4 54.098 -8.525 16.889 29 2HD1 ILE 4 2HD1 ILE 4 55.131 -9.463 17.969 30 3HD1 ILE 4 3HD1 ILE 4 55.851 -8.464 16.707 31 H TYR 5 H TYR 5 56.487 -9.784 12.418 32 HA TYR 5 HA TYR 5 55.022 -8.875 10.073 33 1HB TYR 5 1HB TYR 5 57.971 -9.034 10.773 34 2HB TYR 5 2HB TYR 5 57.314 -8.135 9.405 35 HD1 TYR 5 HD1 TYR 5 55.055 -6.723 10.233 36 HD2 TYR 5 HD2 TYR 5 58.525 -7.673 12.579 37 HE1 TYR 5 HE1 TYR 5 54.573 -4.800 11.723 38 HE2 TYR 5 HE2 TYR 5 58.044 -5.751 14.070 39 HH TYR 5 HH TYR 5 55.062 -3.923 13.804 40 H LYS 6 H LYS 6 57.606 -11.318 10.571 41 HA LYS 6 HA LYS 6 57.973 -12.316 8.027 42 1HB LYS 6 1HB LYS 6 58.369 -13.133 10.694 43 2HB LYS 6 2HB LYS 6 57.553 -14.485 9.908 44 1HG LYS 6 1HG LYS 6 59.844 -13.126 8.519 45 2HG LYS 6 2HG LYS 6 60.170 -14.313 9.782 46 1HD LYS 6 1HD LYS 6 59.970 -15.857 8.132 47 2HD LYS 6 2HD LYS 6 58.235 -15.576 8.277 48 1HE LYS 6 1HE LYS 6 58.232 -14.826 6.138 49 2HE LYS 6 2HE LYS 6 59.272 -13.481 6.648 50 1HZ LYS 6 1HZ LYS 6 60.423 -16.165 6.265 51 2HZ LYS 6 2HZ LYS 6 60.162 -15.168 4.914 52 3HZ LYS 6 3HZ LYS 6 61.183 -14.648 6.165 53 H ALA 7 H ALA 7 55.076 -12.609 9.990 54 HA ALA 7 HA ALA 7 53.852 -14.687 8.328 55 1HB ALA 7 1HB ALA 7 53.479 -13.433 10.854 56 2HB ALA 7 2HB ALA 7 52.000 -13.173 9.928 57 3HB ALA 7 3HB ALA 7 52.594 -14.811 10.198 58 H ALA 8 H ALA 8 53.436 -11.161 8.754 59 HA ALA 8 HA ALA 8 51.290 -10.825 6.899 60 1HB ALA 8 1HB ALA 8 52.888 -9.291 8.615 61 2HB ALA 8 2HB ALA 8 53.183 -8.611 7.015 62 3HB ALA 8 3HB ALA 8 51.539 -8.701 7.646 63 H VAL 9 H VAL 9 54.786 -11.056 6.436 64 HA VAL 9 HA VAL 9 54.789 -10.109 3.692 65 HB VAL 9 HB VAL 9 56.771 -11.917 5.098 66 1HG1 VAL 9 1HG1 VAL 9 56.914 -11.287 2.579 67 2HG1 VAL 9 2HG1 VAL 9 57.344 -9.679 3.162 68 3HG1 VAL 9 3HG1 VAL 9 58.353 -11.065 3.576 69 1HG2 VAL 9 1HG2 VAL 9 56.147 -8.997 5.441 70 2HG2 VAL 9 2HG2 VAL 9 56.558 -10.197 6.666 71 3HG2 VAL 9 3HG2 VAL 9 57.813 -9.551 5.608 72 H GLU 10 H GLU 10 55.160 -13.394 5.098 73 HA GLU 10 HA GLU 10 55.106 -14.819 2.636 74 1HB GLU 10 1HB GLU 10 55.061 -15.296 5.473 75 2HB GLU 10 2HB GLU 10 53.885 -16.357 4.696 76 1HG GLU 10 1HG GLU 10 56.675 -16.043 3.591 77 2HG GLU 10 2HG GLU 10 56.324 -17.205 4.871 78 H GLN 11 H GLN 11 52.570 -13.199 4.337 79 HA GLN 11 HA GLN 11 50.364 -14.796 3.280 80 1HB GLN 11 1HB GLN 11 50.695 -13.148 5.377 81 2HB GLN 11 2HB GLN 11 50.042 -11.982 4.224 82 1HG GLN 11 1HG GLN 11 47.969 -12.875 4.338 83 2HG GLN 11 2HG GLN 11 48.589 -14.521 4.205 84 1HE2 GLN 11 2HE2 GLN 11 49.863 -15.196 6.373 85 2HE2 GLN 11 1HE2 GLN 11 49.054 -14.811 7.815 86 H LEU 12 H LEU 12 52.371 -12.272 2.062 87 HA LEU 12 HA LEU 12 50.612 -10.846 0.352 88 1HB LEU 12 1HB LEU 12 53.521 -11.662 0.064 89 2HB LEU 12 2HB LEU 12 52.738 -10.422 -0.918 90 HG LEU 12 HG LEU 12 53.021 -10.382 2.102 91 1HD1 LEU 12 1HD1 LEU 12 55.000 -9.854 0.402 92 2HD1 LEU 12 2HD1 LEU 12 54.153 -8.314 0.260 93 3HD1 LEU 12 3HD1 LEU 12 54.739 -8.856 1.833 94 1HD2 LEU 12 1HD2 LEU 12 51.183 -9.062 0.318 95 2HD2 LEU 12 2HD2 LEU 12 51.309 -8.919 2.071 96 3HD2 LEU 12 3HD2 LEU 12 52.266 -7.865 1.030 97 H THR 13 H THR 13 49.737 -11.326 -1.660 98 HA THR 13 HA THR 13 50.167 -14.103 -2.683 99 HB THR 13 HB THR 13 48.000 -13.219 -3.992 100 HG1 THR 13 HG1 THR 13 46.982 -11.921 -2.116 101 1HG2 THR 13 1HG2 THR 13 48.513 -14.670 -1.568 102 2HG2 THR 13 2HG2 THR 13 47.039 -13.722 -1.371 103 3HG2 THR 13 3HG2 THR 13 47.180 -14.867 -2.705 104 H GLU 14 H GLU 14 50.552 -14.396 -4.961 105 HA GLU 14 HA GLU 14 52.417 -12.841 -6.263 106 1HB GLU 14 1HB GLU 14 50.597 -14.950 -6.857 107 2HB GLU 14 2HB GLU 14 50.515 -13.800 -8.192 108 1HG GLU 14 1HG GLU 14 52.309 -15.127 -8.859 109 2HG GLU 14 2HG GLU 14 53.144 -13.835 -7.995 110 H GLU 15 H GLU 15 48.909 -12.285 -6.192 111 HA GLU 15 HA GLU 15 48.883 -10.189 -8.183 112 1HB GLU 15 1HB GLU 15 47.031 -11.714 -7.020 113 2HB GLU 15 2HB GLU 15 46.917 -10.332 -5.928 114 1HG GLU 15 1HG GLU 15 46.871 -8.965 -8.203 115 2HG GLU 15 2HG GLU 15 46.280 -10.497 -8.849 116 H GLN 16 H GLN 16 49.339 -10.239 -4.668 117 HA GLN 16 HA GLN 16 49.266 -7.309 -4.442 118 1HB GLN 16 1HB GLN 16 48.444 -8.658 -2.625 119 2HB GLN 16 2HB GLN 16 49.924 -9.617 -2.591 120 1HG GLN 16 1HG GLN 16 51.089 -8.024 -1.438 121 2HG GLN 16 2HG GLN 16 50.280 -6.691 -2.262 122 1HE2 GLN 16 2HE2 GLN 16 50.577 -6.570 0.541 123 2HE2 GLN 16 1HE2 GLN 16 49.059 -6.768 1.276 124 H LYS 17 H LYS 17 51.764 -9.859 -4.116 125 HA LYS 17 HA LYS 17 54.022 -8.361 -3.521 126 1HB LYS 17 1HB LYS 17 53.433 -10.774 -5.193 127 2HB LYS 17 2HB LYS 17 55.074 -10.124 -5.220 128 1HG LYS 17 1HG LYS 17 55.402 -10.507 -2.930 129 2HG LYS 17 2HG LYS 17 53.672 -10.577 -2.597 130 1HD LYS 17 1HD LYS 17 53.924 -12.827 -2.662 131 2HD LYS 17 2HD LYS 17 54.013 -12.631 -4.412 132 1HE LYS 17 1HE LYS 17 55.987 -13.842 -3.901 133 2HE LYS 17 2HE LYS 17 56.560 -12.164 -3.979 134 1HZ LYS 17 1HZ LYS 17 55.439 -12.913 -1.428 135 2HZ LYS 17 2HZ LYS 17 56.844 -13.780 -1.832 136 3HZ LYS 17 3HZ LYS 17 56.881 -12.085 -1.777 137 H ASN 18 H ASN 18 52.288 -8.482 -6.593 138 HA ASN 18 HA ASN 18 54.319 -7.231 -8.213 139 1HB ASN 18 1HB ASN 18 51.367 -7.750 -8.332 140 2HB ASN 18 2HB ASN 18 52.082 -6.663 -9.524 141 1HD2 ASN 18 2HD2 ASN 18 52.591 -9.948 -8.119 142 2HD2 ASN 18 1HD2 ASN 18 53.196 -10.626 -9.553 143 H GLU 19 H GLU 19 51.477 -5.927 -6.470 144 HA GLU 19 HA GLU 19 51.659 -3.224 -7.245 145 1HB GLU 19 1HB GLU 19 50.549 -4.845 -5.056 146 2HB GLU 19 2HB GLU 19 50.887 -3.179 -4.588 147 1HG GLU 19 1HG GLU 19 49.668 -3.269 -7.215 148 2HG GLU 19 2HG GLU 19 48.657 -4.101 -6.033 149 H PHE 20 H PHE 20 53.208 -4.798 -4.418 150 HA PHE 20 HA PHE 20 54.665 -2.474 -3.566 151 1HB PHE 20 1HB PHE 20 54.850 -5.457 -3.162 152 2HB PHE 20 2HB PHE 20 56.049 -4.382 -2.445 153 HD1 PHE 20 HD1 PHE 20 52.341 -4.835 -2.752 154 HD2 PHE 20 HD2 PHE 20 55.608 -3.350 -0.391 155 HE1 PHE 20 HE1 PHE 20 50.768 -4.301 -0.911 156 HE2 PHE 20 HE2 PHE 20 54.035 -2.816 1.450 157 HZ PHE 20 HZ PHE 20 51.615 -3.291 1.190 158 H LYS 21 H LYS 21 55.376 -5.059 -5.872 159 HA LYS 21 HA LYS 21 58.153 -4.752 -6.220 160 1HB LYS 21 1HB LYS 21 55.844 -5.828 -7.617 161 2HB LYS 21 2HB LYS 21 57.011 -5.162 -8.759 162 1HG LYS 21 1HG LYS 21 57.844 -6.997 -6.507 163 2HG LYS 21 2HG LYS 21 57.348 -7.615 -8.083 164 1HD LYS 21 1HD LYS 21 59.387 -7.171 -8.919 165 2HD LYS 21 2HD LYS 21 59.201 -5.469 -8.495 166 1HE LYS 21 1HE LYS 21 60.252 -5.741 -6.404 167 2HE LYS 21 2HE LYS 21 59.967 -7.493 -6.388 168 1HZ LYS 21 1HZ LYS 21 61.444 -6.456 -8.667 169 2HZ LYS 21 2HZ LYS 21 62.265 -6.407 -7.179 170 3HZ LYS 21 3HZ LYS 21 61.683 -7.883 -7.778 171 H ALA 22 H ALA 22 55.493 -2.771 -7.468 172 HA ALA 22 HA ALA 22 56.913 -1.227 -9.383 173 1HB ALA 22 1HB ALA 22 54.405 -1.395 -8.790 174 2HB ALA 22 2HB ALA 22 54.747 -0.194 -7.544 175 3HB ALA 22 3HB ALA 22 55.012 0.197 -9.243 176 H ALA 23 H ALA 23 56.097 -0.223 -6.030 177 HA ALA 23 HA ALA 23 57.675 2.096 -5.909 178 1HB ALA 23 1HB ALA 23 56.335 0.236 -4.124 179 2HB ALA 23 2HB ALA 23 57.804 0.869 -3.382 180 3HB ALA 23 3HB ALA 23 56.555 1.977 -3.949 181 H PHE 24 H PHE 24 58.643 -1.207 -4.885 182 HA PHE 24 HA PHE 24 61.290 -0.685 -4.108 183 1HB PHE 24 1HB PHE 24 60.100 -2.826 -3.860 184 2HB PHE 24 2HB PHE 24 60.127 -3.054 -5.609 185 HD1 PHE 24 HD1 PHE 24 62.336 -2.627 -2.631 186 HD2 PHE 24 HD2 PHE 24 62.003 -4.016 -6.682 187 HE1 PHE 24 HE1 PHE 24 64.588 -3.652 -2.465 188 HE2 PHE 24 HE2 PHE 24 64.256 -5.040 -6.516 189 HZ PHE 24 HZ PHE 24 65.548 -4.857 -4.406 190 H ASP 25 H ASP 25 60.161 -1.609 -7.387 191 HA ASP 25 HA ASP 25 62.563 -1.610 -8.790 192 1HB ASP 25 1HB ASP 25 60.315 -2.130 -9.682 193 2HB ASP 25 2HB ASP 25 59.896 -0.417 -9.617 194 H ILE 26 H ILE 26 60.490 1.278 -8.278 195 HA ILE 26 HA ILE 26 62.391 3.123 -9.425 196 HB ILE 26 HB ILE 26 59.965 3.340 -7.632 197 1HG1 ILE 26 1HG1 ILE 26 59.291 4.573 -9.902 198 2HG1 ILE 26 2HG1 ILE 26 60.571 3.550 -10.554 199 1HG2 ILE 26 1HG2 ILE 26 61.646 5.560 -8.835 200 2HG2 ILE 26 2HG2 ILE 26 60.044 5.791 -8.135 201 3HG2 ILE 26 3HG2 ILE 26 61.381 5.255 -7.119 202 1HD1 ILE 26 1HD1 ILE 26 58.544 2.297 -8.745 203 2HD1 ILE 26 2HD1 ILE 26 58.070 2.666 -10.402 204 3HD1 ILE 26 3HD1 ILE 26 59.431 1.588 -10.095 205 H PHE 27 H PHE 27 62.008 1.733 -6.234 206 HA PHE 27 HA PHE 27 63.473 3.744 -4.762 207 1HB PHE 27 1HB PHE 27 62.345 1.040 -4.395 208 2HB PHE 27 2HB PHE 27 63.737 1.393 -3.369 209 HD1 PHE 27 HD1 PHE 27 61.217 3.807 -4.674 210 HD2 PHE 27 HD2 PHE 27 62.723 1.710 -1.241 211 HE1 PHE 27 HE1 PHE 27 59.785 5.192 -3.199 212 HE2 PHE 27 HE2 PHE 27 61.290 3.096 0.234 213 HZ PHE 27 HZ PHE 27 59.820 4.837 -0.745 214 H VAL 28 H VAL 28 64.449 1.311 -6.985 215 HA VAL 28 HA VAL 28 67.283 1.525 -6.019 216 HB VAL 28 HB VAL 28 67.534 -0.750 -6.899 217 1HG1 VAL 28 1HG1 VAL 28 65.676 0.004 -4.812 218 2HG1 VAL 28 2HG1 VAL 28 65.196 -1.529 -5.543 219 3HG1 VAL 28 3HG1 VAL 28 66.809 -1.347 -4.852 220 1HG2 VAL 28 1HG2 VAL 28 64.624 -0.460 -7.700 221 2HG2 VAL 28 2HG2 VAL 28 65.993 -0.536 -8.810 222 3HG2 VAL 28 3HG2 VAL 28 65.574 -1.940 -7.828 223 H LEU 29 H LEU 29 65.135 1.307 -8.843 224 HA LEU 29 HA LEU 29 65.541 1.805 -11.123 225 1HB LEU 29 1HB LEU 29 66.418 3.966 -9.312 226 2HB LEU 29 2HB LEU 29 67.033 4.099 -10.961 227 HG LEU 29 HG LEU 29 64.115 3.607 -10.325 228 1HD1 LEU 29 1HD1 LEU 29 65.700 6.149 -10.574 229 2HD1 LEU 29 2HD1 LEU 29 64.026 6.110 -11.129 230 3HD1 LEU 29 3HD1 LEU 29 64.406 5.752 -9.444 231 1HD2 LEU 29 1HD2 LEU 29 65.304 3.094 -12.624 232 2HD2 LEU 29 2HD2 LEU 29 63.746 3.921 -12.609 233 3HD2 LEU 29 3HD2 LEU 29 65.233 4.845 -12.824 234 H GLY 30 H GLY 30 68.574 3.330 -10.280 235 1HA GLY 30 1HA GLY 30 69.966 1.344 -11.990 236 2HA GLY 30 2HA GLY 30 70.590 2.934 -11.550 237 H ALA 31 H ALA 31 69.195 1.142 -8.966 238 HA ALA 31 HA ALA 31 71.396 1.182 -7.261 239 1HB ALA 31 1HB ALA 31 69.071 0.494 -6.709 240 2HB ALA 31 2HB ALA 31 69.327 -1.019 -7.579 241 3HB ALA 31 3HB ALA 31 70.249 -0.676 -6.116 242 H GLU 32 H GLU 32 73.267 -0.051 -7.029 243 HA GLU 32 HA GLU 32 74.321 -1.502 -9.254 244 1HB GLU 32 1HB GLU 32 75.005 -1.291 -6.314 245 2HB GLU 32 2HB GLU 32 76.004 -2.207 -7.442 246 1HG GLU 32 1HG GLU 32 75.228 0.644 -8.034 247 2HG GLU 32 2HG GLU 32 76.620 0.278 -7.015 248 H ASP 33 H ASP 33 72.901 -2.640 -6.175 249 HA ASP 33 HA ASP 33 72.680 -5.371 -7.403 250 1HB ASP 33 1HB ASP 33 74.057 -4.514 -5.142 251 2HB ASP 33 2HB ASP 33 72.563 -5.181 -4.481 252 H GLY 34 H GLY 34 70.676 -3.298 -7.712 253 1HA GLY 34 1HA GLY 34 68.369 -2.971 -7.429 254 2HA GLY 34 2HA GLY 34 68.314 -4.694 -7.049 255 H CYS 35 H CYS 35 70.194 -2.402 -5.163 256 HA CYS 35 HA CYS 35 68.406 -2.978 -2.834 257 1HB CYS 35 1HB CYS 35 70.393 -2.542 -1.512 258 2HB CYS 35 2HB CYS 35 70.852 -3.616 -2.834 259 HG CYS 35 HG CYS 35 71.462 -0.545 -2.821 260 H ILE 36 H ILE 36 68.839 -0.951 -1.156 261 HA ILE 36 HA ILE 36 68.380 1.581 -2.692 262 HB ILE 36 HB ILE 36 66.790 0.440 -0.370 263 1HG1 ILE 36 1HG1 ILE 36 65.648 1.187 -3.039 264 2HG1 ILE 36 2HG1 ILE 36 66.533 -0.332 -2.902 265 1HG2 ILE 36 1HG2 ILE 36 67.207 3.145 -1.182 266 2HG2 ILE 36 2HG2 ILE 36 65.560 2.699 -1.624 267 3HG2 ILE 36 3HG2 ILE 36 66.098 2.538 0.047 268 1HD1 ILE 36 1HD1 ILE 36 64.414 0.365 -0.884 269 2HD1 ILE 36 2HD1 ILE 36 63.964 -0.336 -2.438 270 3HD1 ILE 36 3HD1 ILE 36 65.025 -1.224 -1.345 271 H SER 37 H SER 37 69.524 3.278 -1.866 272 HA SER 37 HA SER 37 70.610 3.073 0.924 273 1HB SER 37 1HB SER 37 71.956 2.898 -1.542 274 2HB SER 37 2HB SER 37 72.295 4.511 -0.931 275 HG SER 37 HG SER 37 72.423 2.379 0.863 276 H THR 38 H THR 38 68.281 4.474 -0.036 277 HA THR 38 HA THR 38 67.255 6.567 0.398 278 HB THR 38 HB THR 38 68.393 8.085 1.743 279 HG1 THR 38 HG1 THR 38 70.033 8.908 0.746 280 1HG2 THR 38 1HG2 THR 38 68.871 5.418 2.276 281 2HG2 THR 38 2HG2 THR 38 70.481 6.132 2.379 282 3HG2 THR 38 3HG2 THR 38 69.174 6.753 3.388 283 H LYS 39 H LYS 39 70.466 6.932 -1.188 284 HA LYS 39 HA LYS 39 70.003 9.140 -2.811 285 1HB LYS 39 1HB LYS 39 72.042 7.617 -2.614 286 2HB LYS 39 2HB LYS 39 71.238 6.533 -3.749 287 1HG LYS 39 1HG LYS 39 71.122 8.338 -5.416 288 2HG LYS 39 2HG LYS 39 71.895 9.445 -4.281 289 1HD LYS 39 1HD LYS 39 73.418 6.981 -4.566 290 2HD LYS 39 2HD LYS 39 73.199 7.789 -6.118 291 1HE LYS 39 1HE LYS 39 73.815 9.936 -4.576 292 2HE LYS 39 2HE LYS 39 74.741 8.674 -3.739 293 1HZ LYS 39 1HZ LYS 39 75.553 7.947 -5.947 294 2HZ LYS 39 2HZ LYS 39 74.800 9.301 -6.643 295 3HZ LYS 39 3HZ LYS 39 76.069 9.509 -5.532 296 H GLU 40 H GLU 40 68.928 5.786 -3.373 297 HA GLU 40 HA GLU 40 67.426 6.583 -5.802 298 1HB GLU 40 1HB GLU 40 67.539 3.916 -4.361 299 2HB GLU 40 2HB GLU 40 67.130 4.202 -6.052 300 1HG GLU 40 1HG GLU 40 69.823 5.002 -4.958 301 2HG GLU 40 2HG GLU 40 69.517 3.352 -5.503 302 H LEU 41 H LEU 41 66.928 5.756 -2.430 303 HA LEU 41 HA LEU 41 64.047 5.411 -2.597 304 1HB LEU 41 1HB LEU 41 64.833 4.354 -0.729 305 2HB LEU 41 2HB LEU 41 66.246 5.398 -0.628 306 HG LEU 41 HG LEU 41 64.823 7.190 0.352 307 1HD1 LEU 41 1HD1 LEU 41 62.700 5.030 0.238 308 2HD1 LEU 41 2HD1 LEU 41 62.540 6.546 1.123 309 3HD1 LEU 41 3HD1 LEU 41 62.683 6.561 -0.634 310 1HD2 LEU 41 1HD2 LEU 41 66.024 5.403 1.729 311 2HD2 LEU 41 2HD2 LEU 41 64.684 6.219 2.536 312 3HD2 LEU 41 3HD2 LEU 41 64.460 4.599 1.873 313 H GLY 42 H GLY 42 66.115 8.013 -1.230 314 1HA GLY 42 1HA GLY 42 64.103 9.840 -0.558 315 2HA GLY 42 2HA GLY 42 65.715 10.326 -1.084 316 H LYS 43 H LYS 43 65.470 9.124 -3.736 317 HA LYS 43 HA LYS 43 64.568 11.263 -5.286 318 1HB LYS 43 1HB LYS 43 65.501 8.623 -5.623 319 2HB LYS 43 2HB LYS 43 64.003 8.713 -6.549 320 1HG LYS 43 1HG LYS 43 64.795 10.564 -7.835 321 2HG LYS 43 2HG LYS 43 66.165 10.817 -6.753 322 1HD LYS 43 1HD LYS 43 66.948 9.689 -8.761 323 2HD LYS 43 2HD LYS 43 67.037 8.567 -7.404 324 1HE LYS 43 1HE LYS 43 65.949 7.189 -8.913 325 2HE LYS 43 2HE LYS 43 64.523 8.026 -8.264 326 1HZ LYS 43 1HZ LYS 43 66.112 9.160 -10.486 327 2HZ LYS 43 2HZ LYS 43 64.843 8.070 -10.780 328 3HZ LYS 43 3HZ LYS 43 64.527 9.550 -10.014 329 H VAL 44 H VAL 44 62.676 8.622 -3.885 330 HA VAL 44 HA VAL 44 60.227 9.315 -5.328 331 HB VAL 44 HB VAL 44 60.878 7.533 -2.961 332 1HG1 VAL 44 1HG1 VAL 44 58.346 8.406 -4.050 333 2HG1 VAL 44 2HG1 VAL 44 58.539 6.666 -4.269 334 3HG1 VAL 44 3HG1 VAL 44 58.656 7.372 -2.656 335 1HG2 VAL 44 1HG2 VAL 44 60.981 7.258 -5.904 336 2HG2 VAL 44 2HG2 VAL 44 61.840 6.351 -4.659 337 3HG2 VAL 44 3HG2 VAL 44 60.178 5.928 -5.068 338 H MET 45 H MET 45 61.542 9.824 -2.053 339 HA MET 45 HA MET 45 59.304 10.910 -0.752 340 1HB MET 45 1HB MET 45 62.275 11.256 -0.644 341 2HB MET 45 2HB MET 45 61.283 12.375 0.292 342 1HG MET 45 1HG MET 45 61.933 10.363 1.610 343 2HG MET 45 2HG MET 45 60.185 10.511 1.429 344 1HE MET 45 1HE MET 45 58.797 9.463 0.336 345 2HE MET 45 2HE MET 45 59.097 8.744 -1.252 346 3HE MET 45 3HE MET 45 58.868 7.712 0.159 347 H ARG 46 H ARG 46 61.497 12.432 -3.087 348 HA ARG 46 HA ARG 46 60.317 15.091 -2.807 349 1HB ARG 46 1HB ARG 46 61.806 15.588 -4.685 350 2HB ARG 46 2HB ARG 46 62.665 14.566 -3.533 351 1HG ARG 46 1HG ARG 46 62.907 12.921 -5.055 352 2HG ARG 46 2HG ARG 46 61.189 12.963 -5.456 353 1HD ARG 46 1HD ARG 46 62.341 13.566 -7.477 354 2HD ARG 46 2HD ARG 46 61.733 15.095 -6.810 355 HE ARG 46 HE ARG 46 64.551 14.139 -6.582 356 1HH1 ARG 46 1HH1 ARG 46 63.944 15.781 -4.246 357 2HH1 ARG 46 2HH1 ARG 46 64.243 17.396 -4.796 358 1HH2 ARG 46 1HH2 ARG 46 64.142 16.554 -8.157 359 2HH2 ARG 46 2HH2 ARG 46 64.355 17.833 -7.010 360 H MET 47 H MET 47 59.552 12.182 -4.505 361 HA MET 47 HA MET 47 57.943 13.488 -6.601 362 1HB MET 47 1HB MET 47 58.701 10.710 -5.740 363 2HB MET 47 2HB MET 47 57.325 10.915 -6.824 364 1HG MET 47 1HG MET 47 59.122 12.546 -8.035 365 2HG MET 47 2HG MET 47 60.215 11.353 -7.334 366 1HE MET 47 1HE MET 47 59.642 8.817 -7.366 367 2HE MET 47 2HE MET 47 57.885 8.920 -7.273 368 3HE MET 47 3HE MET 47 58.639 8.006 -8.577 369 H LEU 48 H LEU 48 57.458 11.843 -3.501 370 HA LEU 48 HA LEU 48 54.602 11.578 -3.634 371 1HB LEU 48 1HB LEU 48 56.545 11.892 -1.321 372 2HB LEU 48 2HB LEU 48 54.874 11.351 -1.153 373 HG LEU 48 HG LEU 48 57.137 9.962 -2.601 374 1HD1 LEU 48 1HD1 LEU 48 56.596 9.717 -0.056 375 2HD1 LEU 48 2HD1 LEU 48 55.210 8.779 -0.613 376 3HD1 LEU 48 3HD1 LEU 48 56.846 8.257 -1.014 377 1HD2 LEU 48 1HD2 LEU 48 54.148 9.492 -2.747 378 2HD2 LEU 48 2HD2 LEU 48 55.258 9.784 -4.087 379 3HD2 LEU 48 3HD2 LEU 48 55.334 8.265 -3.194 380 H GLY 49 H GLY 49 56.714 14.278 -2.931 381 1HA GLY 49 1HA GLY 49 55.673 16.537 -3.248 382 2HA GLY 49 2HA GLY 49 54.302 15.938 -2.312 383 H GLN 50 H GLN 50 57.497 14.991 -1.352 384 HA GLN 50 HA GLN 50 57.631 17.122 0.723 385 1HB GLN 50 1HB GLN 50 56.525 14.554 1.115 386 2HB GLN 50 2HB GLN 50 58.119 14.505 1.868 387 1HG GLN 50 1HG GLN 50 56.902 17.017 2.504 388 2HG GLN 50 2HG GLN 50 55.750 15.732 2.869 389 1HE2 GLN 50 2HE2 GLN 50 56.056 14.688 4.845 390 2HE2 GLN 50 1HE2 GLN 50 57.495 14.716 5.744 391 H ASN 51 H ASN 51 59.659 15.772 2.240 392 HA ASN 51 HA ASN 51 61.789 14.643 0.765 393 1HB ASN 51 1HB ASN 51 61.204 17.352 0.088 394 2HB ASN 51 2HB ASN 51 62.746 17.346 0.947 395 1HD2 ASN 51 2HD2 ASN 51 63.328 17.984 -1.500 396 2HD2 ASN 51 1HD2 ASN 51 63.784 16.679 -2.486 397 HA PRO 52 HA PRO 52 62.514 15.054 5.255 398 1HB PRO 52 1HB PRO 52 63.581 12.548 5.530 399 2HB PRO 52 2HB PRO 52 61.834 12.862 5.554 400 1HG PRO 52 1HG PRO 52 63.541 11.832 3.345 401 2HG PRO 52 2HG PRO 52 61.900 11.364 3.815 402 1HD PRO 52 1HD PRO 52 62.451 13.006 1.708 403 2HD PRO 52 2HD PRO 52 60.934 13.069 2.634 404 H THR 53 H THR 53 64.737 14.422 6.436 405 HA THR 53 HA THR 53 66.885 15.651 4.831 406 HB THR 53 HB THR 53 68.016 15.714 7.008 407 HG1 THR 53 HG1 THR 53 66.554 14.796 8.762 408 1HG2 THR 53 1HG2 THR 53 65.070 16.390 7.049 409 2HG2 THR 53 2HG2 THR 53 66.170 16.845 8.349 410 3HG2 THR 53 3HG2 THR 53 66.421 17.473 6.720 411 HA PRO 54 HA PRO 54 69.033 11.944 3.887 412 1HB PRO 54 1HB PRO 54 71.646 12.672 4.281 413 2HB PRO 54 2HB PRO 54 70.681 13.240 2.903 414 1HG PRO 54 1HG PRO 54 71.348 14.634 5.448 415 2HG PRO 54 2HG PRO 54 71.268 15.274 3.798 416 1HD PRO 54 1HD PRO 54 69.293 15.640 5.632 417 2HD PRO 54 2HD PRO 54 68.994 15.567 3.882 418 H GLU 55 H GLU 55 70.161 13.527 6.887 419 HA GLU 55 HA GLU 55 71.426 11.326 8.127 420 1HB GLU 55 1HB GLU 55 70.061 13.845 8.927 421 2HB GLU 55 2HB GLU 55 70.294 12.654 10.206 422 1HG GLU 55 1HG GLU 55 72.677 12.591 9.808 423 2HG GLU 55 2HG GLU 55 72.511 13.595 8.367 424 H GLU 56 H GLU 56 67.979 12.149 7.897 425 HA GLU 56 HA GLU 56 67.169 9.934 9.654 426 1HB GLU 56 1HB GLU 56 66.010 12.269 8.284 427 2HB GLU 56 2HB GLU 56 64.933 10.872 8.330 428 1HG GLU 56 1HG GLU 56 64.920 10.799 10.679 429 2HG GLU 56 2HG GLU 56 66.399 11.751 10.809 430 H LEU 57 H LEU 57 67.400 10.597 6.185 431 HA LEU 57 HA LEU 57 65.836 8.539 5.095 432 1HB LEU 57 1HB LEU 57 67.985 10.300 4.341 433 2HB LEU 57 2HB LEU 57 68.279 8.706 3.645 434 HG LEU 57 HG LEU 57 65.761 10.369 3.358 435 1HD1 LEU 57 1HD1 LEU 57 68.100 10.524 1.942 436 2HD1 LEU 57 2HD1 LEU 57 67.206 9.328 1.003 437 3HD1 LEU 57 3HD1 LEU 57 66.515 10.927 1.283 438 1HD2 LEU 57 1HD2 LEU 57 66.412 7.510 2.637 439 2HD2 LEU 57 2HD2 LEU 57 64.991 8.133 3.477 440 3HD2 LEU 57 3HD2 LEU 57 65.189 8.418 1.748 441 H GLN 58 H GLN 58 69.191 8.357 6.310 442 HA GLN 58 HA GLN 58 69.660 5.608 5.657 443 1HB GLN 58 1HB GLN 58 71.077 7.711 6.652 444 2HB GLN 58 2HB GLN 58 70.859 6.755 8.117 445 1HG GLN 58 1HG GLN 58 71.983 5.717 5.498 446 2HG GLN 58 2HG GLN 58 72.933 6.115 6.930 447 1HE2 GLN 58 1HE2 GLN 58 71.448 3.535 5.365 448 2HE2 GLN 58 2HE2 GLN 58 71.285 2.484 6.688 449 H GLU 59 H GLU 59 68.172 7.184 8.465 450 HA GLU 59 HA GLU 59 68.041 4.954 10.228 451 1HB GLU 59 1HB GLU 59 67.540 7.412 10.644 452 2HB GLU 59 2HB GLU 59 65.986 7.153 9.851 453 1HG GLU 59 1HG GLU 59 65.181 5.803 11.559 454 2HG GLU 59 2HG GLU 59 66.795 5.302 12.065 455 H MET 60 H MET 60 65.714 6.084 7.754 456 HA MET 60 HA MET 60 63.646 4.223 8.131 457 1HB MET 60 1HB MET 60 64.857 5.525 5.679 458 2HB MET 60 2HB MET 60 63.373 4.575 5.601 459 1HG MET 60 1HG MET 60 62.921 6.247 7.761 460 2HG MET 60 2HG MET 60 63.793 7.285 6.633 461 1HE MET 60 1HE MET 60 63.126 8.235 4.773 462 2HE MET 60 2HE MET 60 62.964 6.839 3.711 463 3HE MET 60 3HE MET 60 61.655 8.012 3.816 464 H ILE 61 H ILE 61 66.770 3.803 6.511 465 HA ILE 61 HA ILE 61 66.132 1.138 5.487 466 HB ILE 61 HB ILE 61 68.535 2.949 5.675 467 1HG1 ILE 61 1HG1 ILE 61 68.276 2.217 3.085 468 2HG1 ILE 61 2HG1 ILE 61 66.608 1.997 3.617 469 1HG2 ILE 61 1HG2 ILE 61 68.488 0.009 5.228 470 2HG2 ILE 61 2HG2 ILE 61 69.473 0.957 4.113 471 3HG2 ILE 61 3HG2 ILE 61 69.784 1.032 5.847 472 1HD1 ILE 61 1HD1 ILE 61 68.155 4.517 4.236 473 2HD1 ILE 61 2HD1 ILE 61 67.242 4.329 2.738 474 3HD1 ILE 61 3HD1 ILE 61 66.409 4.264 4.292 475 H ASP 62 H ASP 62 67.687 2.496 8.351 476 HA ASP 62 HA ASP 62 68.847 -0.003 9.279 477 1HB ASP 62 1HB ASP 62 68.759 2.787 9.962 478 2HB ASP 62 2HB ASP 62 68.375 1.840 11.401 479 H GLU 63 H GLU 63 65.705 1.516 9.528 480 HA GLU 63 HA GLU 63 64.775 0.080 11.864 481 1HB GLU 63 1HB GLU 63 63.624 1.702 9.619 482 2HB GLU 63 2HB GLU 63 62.524 0.782 10.645 483 1HG GLU 63 1HG GLU 63 64.618 2.372 12.037 484 2HG GLU 63 2HG GLU 63 63.322 3.283 11.259 485 H VAL 64 H VAL 64 65.585 -1.027 8.802 486 HA VAL 64 HA VAL 64 63.998 -3.512 9.216 487 HB VAL 64 HB VAL 64 63.421 -3.334 6.709 488 1HG1 VAL 64 1HG1 VAL 64 61.820 -2.955 8.603 489 2HG1 VAL 64 2HG1 VAL 64 62.240 -1.243 8.562 490 3HG1 VAL 64 3HG1 VAL 64 61.449 -1.990 7.174 491 1HG2 VAL 64 1HG2 VAL 64 65.129 -1.184 6.820 492 2HG2 VAL 64 2HG2 VAL 64 63.921 -1.435 5.558 493 3HG2 VAL 64 3HG2 VAL 64 63.555 -0.395 6.935 494 H ASP 65 H ASP 65 66.881 -2.792 9.392 495 HA ASP 65 HA ASP 65 67.949 -4.479 7.150 496 1HB ASP 65 1HB ASP 65 68.765 -2.218 7.030 497 2HB ASP 65 2HB ASP 65 69.101 -2.184 8.760 498 H GLU 66 H GLU 66 68.945 -6.373 7.774 499 HA GLU 66 HA GLU 66 69.691 -6.675 10.668 500 1HB GLU 66 1HB GLU 66 67.840 -8.129 8.922 501 2HB GLU 66 2HB GLU 66 68.998 -9.193 9.719 502 1HG GLU 66 1HG GLU 66 67.658 -7.072 11.351 503 2HG GLU 66 2HG GLU 66 66.736 -8.514 10.928 504 H ASP 67 H ASP 67 71.263 -6.090 8.083 505 HA ASP 67 HA ASP 67 73.223 -8.334 8.411 506 1HB ASP 67 1HB ASP 67 73.547 -8.178 5.929 507 2HB ASP 67 2HB ASP 67 71.914 -8.674 6.375 508 H GLY 68 H GLY 68 72.696 -5.074 8.720 509 1HA GLY 68 1HA GLY 68 74.134 -3.227 8.901 510 2HA GLY 68 2HA GLY 68 75.427 -4.406 9.127 511 H SER 69 H SER 69 73.319 -3.795 6.309 512 HA SER 69 HA SER 69 75.792 -3.586 4.641 513 1HB SER 69 1HB SER 69 74.303 -4.258 2.831 514 2HB SER 69 2HB SER 69 74.044 -5.336 4.199 515 HG SER 69 HG SER 69 72.066 -4.656 4.264 516 H GLY 70 H GLY 70 73.165 -1.732 5.896 517 1HA GLY 70 1HA GLY 70 72.770 0.585 5.704 518 2HA GLY 70 2HA GLY 70 74.174 0.690 4.640 519 H THR 71 H THR 71 72.209 -1.750 3.495 520 HA THR 71 HA THR 71 70.698 0.130 1.712 521 HB THR 71 HB THR 71 71.327 -1.318 -0.160 522 HG1 THR 71 HG1 THR 71 73.112 -2.901 0.675 523 1HG2 THR 71 1HG2 THR 71 72.906 0.489 0.694 524 2HG2 THR 71 2HG2 THR 71 73.815 -0.803 1.477 525 3HG2 THR 71 3HG2 THR 71 73.653 -0.779 -0.278 526 H VAL 72 H VAL 72 68.703 -0.787 0.860 527 HA VAL 72 HA VAL 72 67.635 -3.014 2.554 528 HB VAL 72 HB VAL 72 66.446 -0.625 1.136 529 1HG1 VAL 72 1HG1 VAL 72 65.184 -3.205 1.862 530 2HG1 VAL 72 2HG1 VAL 72 64.316 -1.762 2.387 531 3HG1 VAL 72 3HG1 VAL 72 64.681 -1.999 0.677 532 1HG2 VAL 72 1HG2 VAL 72 67.440 -0.916 3.659 533 2HG2 VAL 72 2HG2 VAL 72 66.159 0.220 3.238 534 3HG2 VAL 72 3HG2 VAL 72 65.751 -1.354 3.921 535 H ASP 73 H ASP 73 66.418 -4.688 1.513 536 HA ASP 73 HA ASP 73 66.724 -4.828 -1.470 537 1HB ASP 73 1HB ASP 73 67.495 -6.645 0.752 538 2HB ASP 73 2HB ASP 73 66.787 -7.423 -0.664 539 H PHE 74 H PHE 74 65.081 -6.307 -2.473 540 HA PHE 74 HA PHE 74 62.430 -5.712 -1.924 541 1HB PHE 74 1HB PHE 74 63.428 -6.958 -3.879 542 2HB PHE 74 2HB PHE 74 63.487 -8.397 -2.861 543 HD1 PHE 74 HD1 PHE 74 60.978 -5.676 -3.519 544 HD2 PHE 74 HD2 PHE 74 61.759 -9.893 -3.275 545 HE1 PHE 74 HE1 PHE 74 58.600 -6.146 -4.045 546 HE2 PHE 74 HE2 PHE 74 59.381 -10.363 -3.801 547 HZ PHE 74 HZ PHE 74 57.802 -8.490 -4.185 548 H ASP 75 H ASP 75 64.501 -7.952 -0.205 549 HA ASP 75 HA ASP 75 62.374 -9.407 1.145 550 1HB ASP 75 1HB ASP 75 64.562 -10.384 0.823 551 2HB ASP 75 2HB ASP 75 65.344 -9.016 1.617 552 H GLU 76 H GLU 76 64.562 -6.732 2.090 553 HA GLU 76 HA GLU 76 63.253 -6.430 4.703 554 1HB GLU 76 1HB GLU 76 65.346 -4.860 3.166 555 2HB GLU 76 2HB GLU 76 64.876 -4.505 4.829 556 1HG GLU 76 1HG GLU 76 65.676 -6.620 5.608 557 2HG GLU 76 2HG GLU 76 65.848 -7.237 3.963 558 H PHE 77 H PHE 77 63.226 -4.784 1.559 559 HA PHE 77 HA PHE 77 61.869 -2.403 2.242 560 1HB PHE 77 1HB PHE 77 62.796 -2.701 0.066 561 2HB PHE 77 2HB PHE 77 61.900 -4.198 -0.192 562 HD1 PHE 77 HD1 PHE 77 61.425 -0.532 0.374 563 HD2 PHE 77 HD2 PHE 77 59.791 -4.162 -1.238 564 HE1 PHE 77 HE1 PHE 77 59.562 0.757 -0.637 565 HE2 PHE 77 HE2 PHE 77 57.929 -2.874 -2.249 566 HZ PHE 77 HZ PHE 77 57.814 -0.415 -1.949 567 H LEU 78 H LEU 78 60.654 -5.684 1.994 568 HA LEU 78 HA LEU 78 57.841 -4.973 1.777 569 1HB LEU 78 1HB LEU 78 59.537 -7.387 2.224 570 2HB LEU 78 2HB LEU 78 57.839 -7.501 2.686 571 HG LEU 78 HG LEU 78 58.868 -6.647 -0.037 572 1HD1 LEU 78 1HD1 LEU 78 58.682 -9.207 1.031 573 2HD1 LEU 78 2HD1 LEU 78 57.166 -9.020 0.150 574 3HD1 LEU 78 3HD1 LEU 78 58.703 -8.808 -0.688 575 1HD2 LEU 78 1HD2 LEU 78 56.156 -6.774 1.243 576 2HD2 LEU 78 2HD2 LEU 78 56.819 -5.553 0.157 577 3HD2 LEU 78 3HD2 LEU 78 56.303 -7.114 -0.481 578 H VAL 79 H VAL 79 59.882 -6.163 4.474 579 HA VAL 79 HA VAL 79 57.911 -6.150 6.507 580 HB VAL 79 HB VAL 79 60.888 -5.557 6.597 581 1HG1 VAL 79 1HG1 VAL 79 59.192 -5.132 8.651 582 2HG1 VAL 79 2HG1 VAL 79 59.457 -6.864 8.856 583 3HG1 VAL 79 3HG1 VAL 79 60.826 -5.753 8.884 584 1HG2 VAL 79 1HG2 VAL 79 59.981 -7.745 5.538 585 2HG2 VAL 79 2HG2 VAL 79 61.207 -7.892 6.797 586 3HG2 VAL 79 3HG2 VAL 79 59.510 -8.179 7.181 587 H MET 80 H MET 80 59.992 -3.500 5.337 588 HA MET 80 HA MET 80 59.474 -1.553 7.304 589 1HB MET 80 1HB MET 80 60.838 -1.716 4.965 590 2HB MET 80 2HB MET 80 59.489 -0.699 4.458 591 1HG MET 80 1HG MET 80 59.993 0.967 6.067 592 2HG MET 80 2HG MET 80 61.044 -0.117 6.979 593 1HE MET 80 1HE MET 80 60.462 1.703 3.605 594 2HE MET 80 2HE MET 80 61.943 1.358 2.714 595 3HE MET 80 3HE MET 80 60.828 0.048 3.127 596 H MET 81 H MET 81 57.470 -2.522 4.529 597 HA MET 81 HA MET 81 55.499 -0.404 4.960 598 1HB MET 81 1HB MET 81 55.501 -2.965 3.331 599 2HB MET 81 2HB MET 81 54.306 -1.676 3.181 600 1HG MET 81 1HG MET 81 56.934 -0.524 3.049 601 2HG MET 81 2HG MET 81 56.834 -1.855 1.895 602 1HE MET 81 1HE MET 81 57.402 0.952 1.043 603 2HE MET 81 2HE MET 81 56.073 2.004 0.564 604 3HE MET 81 3HE MET 81 56.449 1.772 2.277 605 H VAL 82 H VAL 82 55.596 -3.937 5.540 606 HA VAL 82 HA VAL 82 53.058 -4.475 6.483 607 HB VAL 82 HB VAL 82 55.662 -5.284 7.819 608 1HG1 VAL 82 1HG1 VAL 82 53.536 -5.940 8.971 609 2HG1 VAL 82 2HG1 VAL 82 53.043 -6.781 7.502 610 3HG1 VAL 82 3HG1 VAL 82 54.466 -7.324 8.392 611 1HG2 VAL 82 1HG2 VAL 82 54.433 -5.949 5.185 612 2HG2 VAL 82 2HG2 VAL 82 56.134 -5.892 5.649 613 3HG2 VAL 82 3HG2 VAL 82 55.145 -7.284 6.093 614 H ARG 83 H ARG 83 55.685 -2.950 8.366 615 HA ARG 83 HA ARG 83 54.427 -2.718 10.866 616 1HB ARG 83 1HB ARG 83 56.258 -0.816 9.369 617 2HB ARG 83 2HB ARG 83 55.950 -0.741 11.104 618 1HG ARG 83 1HG ARG 83 56.826 -3.023 11.375 619 2HG ARG 83 2HG ARG 83 57.111 -3.126 9.637 620 1HD ARG 83 1HD ARG 83 59.157 -2.218 9.987 621 2HD ARG 83 2HD ARG 83 58.351 -0.723 10.503 622 HE ARG 83 HE ARG 83 58.279 -2.677 12.619 623 1HH1 ARG 83 1HH1 ARG 83 61.163 -2.439 11.415 624 2HH1 ARG 83 2HH1 ARG 83 61.856 -1.324 12.544 625 1HH2 ARG 83 1HH2 ARG 83 58.803 -0.383 13.893 626 2HH2 ARG 83 2HH2 ARG 83 60.520 -0.157 13.946 627 H CYS 84 H CYS 84 54.394 -0.262 8.242 628 HA CYS 84 HA CYS 84 52.068 1.041 9.581 629 1HB CYS 84 1HB CYS 84 54.182 2.273 8.924 630 2HB CYS 84 2HB CYS 84 53.759 1.965 7.240 631 HG CYS 84 HG CYS 84 51.354 3.208 8.220 632 H MET 85 H MET 85 51.254 -1.313 8.441 633 HA MET 85 HA MET 85 50.248 -0.669 5.709 634 1HB MET 85 1HB MET 85 49.968 -3.019 5.500 635 2HB MET 85 2HB MET 85 51.452 -2.842 6.433 636 1HG MET 85 1HG MET 85 50.131 -3.126 8.528 637 2HG MET 85 2HG MET 85 48.689 -3.401 7.551 638 1HE MET 85 1HE MET 85 48.396 -5.260 5.849 639 2HE MET 85 2HE MET 85 49.926 -4.896 5.053 640 3HE MET 85 3HE MET 85 49.541 -6.558 5.521 641 H LYS 86 H LYS 86 49.261 -0.309 8.880 642 HA LYS 86 HA LYS 86 46.614 -1.236 9.036 643 1HB LYS 86 1HB LYS 86 48.013 1.254 10.034 644 2HB LYS 86 2HB LYS 86 46.365 0.849 10.516 645 1HG LYS 86 1HG LYS 86 48.343 -1.349 10.741 646 2HG LYS 86 2HG LYS 86 48.559 -0.006 11.865 647 1HD LYS 86 1HD LYS 86 47.024 -1.149 13.111 648 2HD LYS 86 2HD LYS 86 45.869 -0.357 12.040 649 1HE LYS 86 1HE LYS 86 46.700 -2.606 10.593 650 2HE LYS 86 2HE LYS 86 46.503 -3.190 12.258 651 1HZ LYS 86 1HZ LYS 86 44.404 -1.654 12.151 652 2HZ LYS 86 2HZ LYS 86 44.528 -1.947 10.482 653 3HZ LYS 86 3HZ LYS 86 44.341 -3.244 11.559 654 H ASP 87 H ASP 87 44.682 -0.581 8.115 655 HA ASP 87 HA ASP 87 44.561 0.886 5.713 656 1HB ASP 87 1HB ASP 87 42.862 -0.526 7.418 657 2HB ASP 87 2HB ASP 87 42.164 1.092 7.374 658 H ASP 88 H ASP 88 44.156 3.077 5.246 659 HA ASP 88 HA ASP 88 43.430 5.018 7.288 660 1HB ASP 88 1HB ASP 88 46.156 4.205 7.028 661 2HB ASP 88 2HB ASP 88 46.033 5.859 6.427 662 H SER 89 H SER 89 43.755 7.329 6.320 663 HA SER 89 HA SER 89 42.890 7.231 3.485 664 1HB SER 89 1HB SER 89 42.423 9.686 4.037 665 2HB SER 89 2HB SER 89 41.529 8.505 4.990 666 HG SER 89 HG SER 89 43.342 10.355 5.776 667 1H ARG 1 1H ARG 1 58.285 2.201 6.680 668 2H ARG 1 2H ARG 1 59.608 2.950 7.432 669 3H ARG 1 3H ARG 1 58.817 1.659 8.200 670 HA ARG 1 HA ARG 1 56.837 2.970 8.517 671 1HB ARG 1 1HB ARG 1 59.558 3.936 9.336 672 2HB ARG 1 2HB ARG 1 58.144 4.868 9.830 673 1HG ARG 1 1HG ARG 1 57.190 2.565 10.600 674 2HG ARG 1 2HG ARG 1 58.870 2.031 10.532 675 1HD ARG 1 1HD ARG 1 58.310 2.837 12.805 676 2HD ARG 1 2HD ARG 1 59.499 3.919 12.049 677 HE ARG 1 HE ARG 1 56.852 4.793 11.373 678 1HH1 ARG 1 1HH1 ARG 1 57.112 4.107 14.451 679 2HH1 ARG 1 2HH1 ARG 1 57.356 5.708 15.068 680 1HH2 ARG 1 1HH2 ARG 1 58.019 7.090 11.958 681 2HH2 ARG 1 2HH2 ARG 1 57.870 7.396 13.656 682 H ILE 2 H ILE 2 56.483 3.558 6.052 683 HA ILE 2 HA ILE 2 56.690 6.533 5.835 684 HB ILE 2 HB ILE 2 57.354 6.190 3.447 685 1HG1 ILE 2 1HG1 ILE 2 57.632 3.288 4.295 686 2HG1 ILE 2 2HG1 ILE 2 56.355 3.907 3.247 687 1HG2 ILE 2 1HG2 ILE 2 58.924 6.077 5.698 688 2HG2 ILE 2 2HG2 ILE 2 59.404 4.606 4.854 689 3HG2 ILE 2 3HG2 ILE 2 59.546 6.170 4.050 690 1HD1 ILE 2 1HD1 ILE 2 58.715 4.892 2.118 691 2HD1 ILE 2 2HD1 ILE 2 59.109 3.238 2.588 692 3HD1 ILE 2 3HD1 ILE 2 57.748 3.548 1.510 693 H SER 3 H SER 3 55.476 6.775 3.336 694 HA SER 3 HA SER 3 52.685 6.166 3.987 695 1HB SER 3 1HB SER 3 52.423 7.362 1.718 696 2HB SER 3 2HB SER 3 53.170 8.287 3.018 697 HG SER 3 HG SER 3 54.277 7.199 0.702 698 H ALA 4 H ALA 4 51.421 4.578 3.019 699 HA ALA 4 HA ALA 4 52.825 2.720 1.135 700 1HB ALA 4 1HB ALA 4 51.436 2.375 3.553 701 2HB ALA 4 2HB ALA 4 50.333 1.783 2.310 702 3HB ALA 4 3HB ALA 4 51.952 1.098 2.451 703 H ASP 5 H ASP 5 49.516 3.954 1.800 704 HA ASP 5 HA ASP 5 48.671 3.355 -0.951 705 1HB ASP 5 1HB ASP 5 46.528 4.360 -0.067 706 2HB ASP 5 2HB ASP 5 47.144 3.022 0.903 707 H ALA 6 H ALA 6 50.022 6.049 0.757 708 HA ALA 6 HA ALA 6 48.978 8.099 -1.072 709 1HB ALA 6 1HB ALA 6 49.801 8.107 1.482 710 2HB ALA 6 2HB ALA 6 51.335 8.519 0.717 711 3HB ALA 6 3HB ALA 6 49.922 9.545 0.469 712 H MET 7 H MET 7 51.853 6.096 -0.762 713 HA MET 7 HA MET 7 53.538 7.620 -2.559 714 1HB MET 7 1HB MET 7 54.300 5.986 -0.837 715 2HB MET 7 2HB MET 7 53.566 4.686 -1.777 716 1HG MET 7 1HG MET 7 55.026 5.682 -3.734 717 2HG MET 7 2HG MET 7 55.982 6.347 -2.410 718 1HE MET 7 1HE MET 7 57.947 5.062 -3.459 719 2HE MET 7 2HE MET 7 58.072 3.312 -3.616 720 3HE MET 7 3HE MET 7 56.970 4.222 -4.658 721 H MET 8 H MET 8 50.917 5.395 -3.023 722 HA MET 8 HA MET 8 51.700 4.617 -5.748 723 1HB MET 8 1HB MET 8 49.045 4.311 -4.319 724 2HB MET 8 2HB MET 8 49.668 3.323 -5.641 725 1HG MET 8 1HG MET 8 50.934 3.527 -2.891 726 2HG MET 8 2HG MET 8 49.906 2.199 -3.430 727 1HE MET 8 1HE MET 8 52.993 2.716 -2.393 728 2HE MET 8 2HE MET 8 54.240 2.334 -3.587 729 3HE MET 8 3HE MET 8 53.429 3.898 -3.625 730 H GLN 9 H GLN 9 50.038 7.242 -4.258 731 HA GLN 9 HA GLN 9 48.388 7.912 -6.601 732 1HB GLN 9 1HB GLN 9 49.057 9.509 -4.109 733 2HB GLN 9 2HB GLN 9 47.671 9.745 -5.176 734 1HG GLN 9 1HG GLN 9 47.892 6.997 -4.168 735 2HG GLN 9 2HG GLN 9 47.672 8.191 -2.887 736 1HE2 GLN 9 2HE2 GLN 9 45.819 6.151 -4.525 737 2HE2 GLN 9 1HE2 GLN 9 44.429 7.089 -4.790 738 H ALA 10 H ALA 10 51.386 9.075 -5.064 739 HA ALA 10 HA ALA 10 51.735 11.317 -6.885 740 1HB ALA 10 1HB ALA 10 52.695 10.586 -4.456 741 2HB ALA 10 2HB ALA 10 54.045 10.087 -5.475 742 3HB ALA 10 3HB ALA 10 53.503 11.766 -5.488 743 H LEU 11 H LEU 11 53.488 8.203 -6.528 744 HA LEU 11 HA LEU 11 54.124 8.355 -9.458 745 1HB LEU 11 1HB LEU 11 56.313 7.379 -8.856 746 2HB LEU 11 2HB LEU 11 56.047 8.886 -7.979 747 HG LEU 11 HG LEU 11 55.040 6.465 -6.616 748 1HD1 LEU 11 1HD1 LEU 11 57.244 5.778 -7.741 749 2HD1 LEU 11 2HD1 LEU 11 58.024 6.958 -6.689 750 3HD1 LEU 11 3HD1 LEU 11 57.165 5.586 -5.991 751 1HD2 LEU 11 1HD2 LEU 11 56.297 9.089 -6.006 752 2HD2 LEU 11 2HD2 LEU 11 54.976 8.255 -5.186 753 3HD2 LEU 11 3HD2 LEU 11 56.646 7.783 -4.871 754 H LEU 12 H LEU 12 55.012 5.950 -10.048 755 HA LEU 12 HA LEU 12 54.456 3.662 -10.289 756 1HB LEU 12 1HB LEU 12 53.099 3.983 -7.599 757 2HB LEU 12 2HB LEU 12 53.846 2.534 -8.267 758 HG LEU 12 HG LEU 12 55.518 4.998 -7.843 759 1HD1 LEU 12 1HD1 LEU 12 54.069 3.789 -5.771 760 2HD1 LEU 12 2HD1 LEU 12 55.689 3.101 -5.653 761 3HD1 LEU 12 3HD1 LEU 12 55.466 4.850 -5.599 762 1HD2 LEU 12 1HD2 LEU 12 55.992 2.004 -7.856 763 2HD2 LEU 12 2HD2 LEU 12 56.544 3.175 -9.054 764 3HD2 LEU 12 3HD2 LEU 12 57.230 3.185 -7.429 765 H GLY 13 H GLY 13 52.517 2.285 -10.676 766 1HA GLY 13 1HA GLY 13 50.152 3.969 -11.319 767 2HA GLY 13 2HA GLY 13 50.487 2.377 -12.002 768 H ALA 14 H ALA 14 48.219 3.684 -10.244 769 HA ALA 14 HA ALA 14 47.647 1.207 -8.768 770 1HB ALA 14 1HB ALA 14 49.101 3.338 -7.578 771 2HB ALA 14 2HB ALA 14 47.487 3.366 -6.867 772 3HB ALA 14 3HB ALA 14 48.463 1.900 -6.782 773 H ARG 15 H ARG 15 46.302 2.744 -10.856 774 HA ARG 15 HA ARG 15 43.821 3.531 -9.361 775 1HB ARG 15 1HB ARG 15 44.776 4.681 -11.994 776 2HB ARG 15 2HB ARG 15 43.551 5.338 -10.909 777 1HG ARG 15 1HG ARG 15 46.504 5.073 -10.264 778 2HG ARG 15 2HG ARG 15 45.684 6.572 -10.701 779 1HD ARG 15 1HD ARG 15 44.499 5.009 -8.450 780 2HD ARG 15 2HD ARG 15 46.020 5.865 -8.132 781 HE ARG 15 HE ARG 15 44.657 7.812 -9.393 782 1HH1 ARG 15 1HH1 ARG 15 42.267 5.907 -8.631 783 2HH1 ARG 15 2HH1 ARG 15 41.654 6.763 -7.257 784 1HH2 ARG 15 1HH2 ARG 15 44.459 8.773 -6.921 785 2HH2 ARG 15 2HH2 ARG 15 42.893 8.386 -6.289 786 H ALA 16 H ALA 16 42.561 3.961 -12.061 787 HA ALA 16 HA ALA 16 41.845 1.121 -12.556 788 1HB ALA 16 1HB ALA 16 40.433 3.470 -12.310 789 2HB ALA 16 2HB ALA 16 40.518 3.284 -14.061 790 3HB ALA 16 3HB ALA 16 39.809 2.008 -13.072 791 H LYS 17 H LYS 17 40.922 1.931 -15.308 792 HA LYS 17 HA LYS 17 43.597 1.822 -16.666 793 1HB LYS 17 1HB LYS 17 42.344 0.505 -18.387 794 2HB LYS 17 2HB LYS 17 42.302 -0.253 -16.795 795 1HG LYS 17 1HG LYS 17 40.077 0.618 -16.375 796 2HG LYS 17 2HG LYS 17 40.121 1.557 -17.868 797 1HD LYS 17 1HD LYS 17 40.286 -0.537 -19.174 798 2HD LYS 17 2HD LYS 17 40.216 -1.469 -17.678 799 1HE LYS 17 1HE LYS 17 37.955 -1.453 -17.912 800 2HE LYS 17 2HE LYS 17 38.014 0.281 -17.540 801 1HZ LYS 17 1HZ LYS 17 38.749 0.466 -20.001 802 2HZ LYS 17 2HZ LYS 17 38.004 -1.052 -20.166 803 3HZ LYS 17 3HZ LYS 17 37.100 0.288 -19.641 Start of MODEL 38 1 1H MET 1 1H MET 1 63.072 -14.704 13.720 2 2H MET 1 2H MET 1 64.086 -15.402 12.554 3 3H MET 1 3H MET 1 64.664 -14.141 13.535 4 HA MET 1 HA MET 1 64.158 -12.833 11.781 5 1HB MET 1 1HB MET 1 62.799 -13.676 9.968 6 2HB MET 1 2HB MET 1 63.775 -15.022 10.557 7 1HG MET 1 1HG MET 1 61.379 -14.927 12.111 8 2HG MET 1 2HG MET 1 60.927 -14.847 10.408 9 1HE MET 1 1HE MET 1 59.721 -16.670 11.477 10 2HE MET 1 2HE MET 1 59.967 -17.843 10.186 11 3HE MET 1 3HE MET 1 60.318 -18.281 11.865 12 H ASP 2 H ASP 2 62.842 -12.808 14.429 13 HA ASP 2 HA ASP 2 61.085 -11.643 15.496 14 1HB ASP 2 1HB ASP 2 60.753 -10.543 12.684 15 2HB ASP 2 2HB ASP 2 60.202 -9.777 14.175 16 H ASP 3 H ASP 3 58.656 -11.486 15.519 17 HA ASP 3 HA ASP 3 57.422 -13.694 13.902 18 1HB ASP 3 1HB ASP 3 55.934 -13.946 15.878 19 2HB ASP 3 2HB ASP 3 57.633 -14.126 16.319 20 H ILE 4 H ILE 4 54.817 -13.256 14.135 21 HA ILE 4 HA ILE 4 52.995 -11.895 13.498 22 HB ILE 4 HB ILE 4 54.856 -9.580 14.092 23 1HG1 ILE 4 1HG1 ILE 4 53.144 -11.054 16.110 24 2HG1 ILE 4 2HG1 ILE 4 54.861 -11.393 15.898 25 1HG2 ILE 4 1HG2 ILE 4 51.875 -10.032 14.073 26 2HG2 ILE 4 2HG2 ILE 4 52.590 -8.704 14.986 27 3HG2 ILE 4 3HG2 ILE 4 52.804 -8.788 13.238 28 1HD1 ILE 4 1HD1 ILE 4 55.188 -8.838 16.193 29 2HD1 ILE 4 2HD1 ILE 4 53.556 -8.853 16.859 30 3HD1 ILE 4 3HD1 ILE 4 54.832 -9.796 17.630 31 H TYR 5 H TYR 5 56.021 -10.275 12.448 32 HA TYR 5 HA TYR 5 54.957 -9.384 9.931 33 1HB TYR 5 1HB TYR 5 57.722 -9.826 11.078 34 2HB TYR 5 2HB TYR 5 57.479 -9.154 9.464 35 HD1 TYR 5 HD1 TYR 5 56.897 -8.615 13.083 36 HD2 TYR 5 HD2 TYR 5 56.623 -6.920 9.146 37 HE1 TYR 5 HE1 TYR 5 56.475 -6.382 14.073 38 HE2 TYR 5 HE2 TYR 5 56.199 -4.686 10.136 39 HH TYR 5 HH TYR 5 56.529 -3.493 12.186 40 H LYS 6 H LYS 6 57.287 -12.036 10.634 41 HA LYS 6 HA LYS 6 57.471 -13.162 8.081 42 1HB LYS 6 1HB LYS 6 57.872 -15.298 9.386 43 2HB LYS 6 2HB LYS 6 58.800 -13.913 9.960 44 1HG LYS 6 1HG LYS 6 57.773 -13.943 11.969 45 2HG LYS 6 2HG LYS 6 56.178 -14.065 11.227 46 1HD LYS 6 1HD LYS 6 57.073 -16.556 10.725 47 2HD LYS 6 2HD LYS 6 57.985 -16.219 12.197 48 1HE LYS 6 1HE LYS 6 55.767 -15.468 13.240 49 2HE LYS 6 2HE LYS 6 54.979 -16.212 11.835 50 1HZ LYS 6 1HZ LYS 6 56.278 -18.245 12.296 51 2HZ LYS 6 2HZ LYS 6 56.852 -17.534 13.724 52 3HZ LYS 6 3HZ LYS 6 55.194 -17.860 13.547 53 H ALA 7 H ALA 7 54.780 -13.230 10.317 54 HA ALA 7 HA ALA 7 53.349 -15.396 8.956 55 1HB ALA 7 1HB ALA 7 53.204 -14.754 11.404 56 2HB ALA 7 2HB ALA 7 52.355 -13.291 10.903 57 3HB ALA 7 3HB ALA 7 51.640 -14.874 10.597 58 H ALA 8 H ALA 8 53.508 -11.887 8.801 59 HA ALA 8 HA ALA 8 51.091 -11.594 7.170 60 1HB ALA 8 1HB ALA 8 52.749 -9.995 8.744 61 2HB ALA 8 2HB ALA 8 53.071 -9.439 7.102 62 3HB ALA 8 3HB ALA 8 51.425 -9.419 7.733 63 H VAL 9 H VAL 9 54.602 -11.188 6.567 64 HA VAL 9 HA VAL 9 54.607 -10.706 3.822 65 HB VAL 9 HB VAL 9 56.438 -12.593 5.339 66 1HG1 VAL 9 1HG1 VAL 9 56.436 -11.577 2.667 67 2HG1 VAL 9 2HG1 VAL 9 57.773 -10.823 3.537 68 3HG1 VAL 9 3HG1 VAL 9 57.656 -12.581 3.449 69 1HG2 VAL 9 1HG2 VAL 9 56.083 -9.617 5.403 70 2HG2 VAL 9 2HG2 VAL 9 56.476 -10.724 6.717 71 3HG2 VAL 9 3HG2 VAL 9 57.714 -10.274 5.544 72 H GLU 10 H GLU 10 54.582 -13.908 5.419 73 HA GLU 10 HA GLU 10 54.473 -15.494 3.055 74 1HB GLU 10 1HB GLU 10 53.749 -15.775 5.953 75 2HB GLU 10 2HB GLU 10 53.265 -17.054 4.838 76 1HG GLU 10 1HG GLU 10 55.956 -16.379 4.216 77 2HG GLU 10 2HG GLU 10 55.856 -16.567 5.968 78 H GLN 11 H GLN 11 51.937 -13.854 4.901 79 HA GLN 11 HA GLN 11 49.737 -15.137 3.463 80 1HB GLN 11 1HB GLN 11 50.151 -12.997 5.517 81 2HB GLN 11 2HB GLN 11 48.600 -13.056 4.681 82 1HG GLN 11 1HG GLN 11 48.292 -15.391 5.347 83 2HG GLN 11 2HG GLN 11 49.879 -15.401 6.117 84 1HE2 GLN 11 2HE2 GLN 11 47.460 -15.926 7.598 85 2HE2 GLN 11 1HE2 GLN 11 47.240 -14.659 8.707 86 H LEU 12 H LEU 12 51.952 -12.708 2.660 87 HA LEU 12 HA LEU 12 50.519 -10.685 1.363 88 1HB LEU 12 1HB LEU 12 53.073 -12.163 0.686 89 2HB LEU 12 2HB LEU 12 52.554 -10.729 -0.200 90 HG LEU 12 HG LEU 12 53.068 -10.894 2.783 91 1HD1 LEU 12 1HD1 LEU 12 55.076 -10.851 1.251 92 2HD1 LEU 12 2HD1 LEU 12 54.501 -9.299 0.641 93 3HD1 LEU 12 3HD1 LEU 12 54.963 -9.464 2.336 94 1HD2 LEU 12 1HD2 LEU 12 52.024 -8.689 0.993 95 2HD2 LEU 12 2HD2 LEU 12 51.282 -9.340 2.455 96 3HD2 LEU 12 3HD2 LEU 12 52.745 -8.361 2.569 97 H THR 13 H THR 13 49.040 -10.739 -0.279 98 HA THR 13 HA THR 13 48.336 -13.177 -1.658 99 HB THR 13 HB THR 13 46.978 -11.444 -3.016 100 HG1 THR 13 HG1 THR 13 46.986 -9.430 -1.592 101 1HG2 THR 13 1HG2 THR 13 46.821 -11.714 -0.011 102 2HG2 THR 13 2HG2 THR 13 45.586 -10.874 -0.949 103 3HG2 THR 13 3HG2 THR 13 45.893 -12.588 -1.230 104 H GLU 14 H GLU 14 48.340 -13.304 -4.112 105 HA GLU 14 HA GLU 14 51.016 -12.970 -5.152 106 1HB GLU 14 1HB GLU 14 48.474 -14.178 -5.845 107 2HB GLU 14 2HB GLU 14 49.185 -13.393 -7.255 108 1HG GLU 14 1HG GLU 14 51.354 -14.574 -6.700 109 2HG GLU 14 2HG GLU 14 50.462 -15.495 -5.490 110 H GLU 15 H GLU 15 47.982 -11.160 -5.526 111 HA GLU 15 HA GLU 15 48.978 -9.406 -7.618 112 1HB GLU 15 1HB GLU 15 46.563 -9.991 -6.198 113 2HB GLU 15 2HB GLU 15 46.845 -8.251 -6.100 114 1HG GLU 15 1HG GLU 15 47.479 -8.967 -8.748 115 2HG GLU 15 2HG GLU 15 45.987 -9.827 -8.372 116 H GLN 16 H GLN 16 49.089 -9.403 -4.110 117 HA GLN 16 HA GLN 16 49.696 -6.578 -3.798 118 1HB GLN 16 1HB GLN 16 48.718 -8.025 -2.046 119 2HB GLN 16 2HB GLN 16 50.191 -8.994 -2.026 120 1HG GLN 16 1HG GLN 16 51.498 -7.090 -1.273 121 2HG GLN 16 2HG GLN 16 50.103 -6.024 -1.431 122 1HE2 GLN 16 2HE2 GLN 16 51.365 -6.248 1.083 123 2HE2 GLN 16 1HE2 GLN 16 50.344 -7.085 2.151 124 H LYS 17 H LYS 17 51.735 -9.520 -3.508 125 HA LYS 17 HA LYS 17 54.236 -8.279 -3.190 126 1HB LYS 17 1HB LYS 17 53.149 -10.844 -4.210 127 2HB LYS 17 2HB LYS 17 54.812 -10.486 -4.679 128 1HG LYS 17 1HG LYS 17 55.591 -10.568 -2.509 129 2HG LYS 17 2HG LYS 17 54.056 -10.033 -1.827 130 1HD LYS 17 1HD LYS 17 53.810 -12.222 -1.253 131 2HD LYS 17 2HD LYS 17 53.327 -12.422 -2.937 132 1HE LYS 17 1HE LYS 17 55.259 -13.517 -3.487 133 2HE LYS 17 2HE LYS 17 56.256 -12.465 -2.464 134 1HZ LYS 17 1HZ LYS 17 54.846 -13.625 -0.589 135 2HZ LYS 17 2HZ LYS 17 54.745 -14.868 -1.737 136 3HZ LYS 17 3HZ LYS 17 56.265 -14.340 -1.191 137 H ASN 18 H ASN 18 52.322 -8.721 -6.128 138 HA ASN 18 HA ASN 18 54.447 -7.987 -7.975 139 1HB ASN 18 1HB ASN 18 51.468 -8.381 -8.022 140 2HB ASN 18 2HB ASN 18 52.255 -7.634 -9.413 141 1HD2 ASN 18 2HD2 ASN 18 51.986 -10.636 -7.553 142 2HD2 ASN 18 1HD2 ASN 18 52.806 -11.611 -8.676 143 H GLU 19 H GLU 19 52.349 -6.211 -5.884 144 HA GLU 19 HA GLU 19 52.372 -3.735 -7.459 145 1HB GLU 19 1HB GLU 19 50.928 -4.875 -5.330 146 2HB GLU 19 2HB GLU 19 51.745 -3.475 -4.635 147 1HG GLU 19 1HG GLU 19 50.464 -2.009 -5.794 148 2HG GLU 19 2HG GLU 19 50.596 -2.946 -7.283 149 H PHE 20 H PHE 20 54.083 -5.035 -4.615 150 HA PHE 20 HA PHE 20 55.517 -2.657 -3.922 151 1HB PHE 20 1HB PHE 20 56.103 -5.616 -3.609 152 2HB PHE 20 2HB PHE 20 57.014 -4.346 -2.792 153 HD1 PHE 20 HD1 PHE 20 54.805 -2.406 -2.223 154 HD2 PHE 20 HD2 PHE 20 54.970 -6.679 -1.810 155 HE1 PHE 20 HE1 PHE 20 53.071 -2.303 -0.453 156 HE2 PHE 20 HE2 PHE 20 53.236 -6.575 -0.041 157 HZ PHE 20 HZ PHE 20 52.286 -4.386 0.636 158 H LYS 21 H LYS 21 56.362 -5.382 -6.073 159 HA LYS 21 HA LYS 21 58.985 -4.855 -6.752 160 1HB LYS 21 1HB LYS 21 56.564 -5.896 -8.098 161 2HB LYS 21 2HB LYS 21 57.863 -5.405 -9.185 162 1HG LYS 21 1HG LYS 21 58.264 -7.234 -6.804 163 2HG LYS 21 2HG LYS 21 58.005 -7.810 -8.451 164 1HD LYS 21 1HD LYS 21 59.985 -6.094 -8.966 165 2HD LYS 21 2HD LYS 21 60.376 -6.427 -7.277 166 1HE LYS 21 1HE LYS 21 61.449 -8.276 -8.072 167 2HE LYS 21 2HE LYS 21 59.827 -8.954 -8.321 168 1HZ LYS 21 1HZ LYS 21 61.223 -7.195 -10.267 169 2HZ LYS 21 2HZ LYS 21 61.183 -8.890 -10.378 170 3HZ LYS 21 3HZ LYS 21 59.745 -7.995 -10.498 171 H ALA 22 H ALA 22 56.125 -3.202 -8.133 172 HA ALA 22 HA ALA 22 57.410 -1.495 -9.967 173 1HB ALA 22 1HB ALA 22 55.027 -1.061 -8.138 174 2HB ALA 22 2HB ALA 22 55.411 -0.029 -9.515 175 3HB ALA 22 3HB ALA 22 54.995 -1.723 -9.772 176 H ALA 23 H ALA 23 56.379 -0.448 -6.691 177 HA ALA 23 HA ALA 23 57.748 1.966 -6.539 178 1HB ALA 23 1HB ALA 23 56.202 0.673 -4.882 179 2HB ALA 23 2HB ALA 23 57.709 0.017 -4.239 180 3HB ALA 23 3HB ALA 23 57.421 1.757 -4.213 181 H PHE 24 H PHE 24 59.071 -1.191 -5.443 182 HA PHE 24 HA PHE 24 61.648 -0.456 -4.724 183 1HB PHE 24 1HB PHE 24 60.423 -2.751 -4.867 184 2HB PHE 24 2HB PHE 24 61.109 -2.843 -6.491 185 HD1 PHE 24 HD1 PHE 24 62.063 -2.225 -2.924 186 HD2 PHE 24 HD2 PHE 24 63.318 -3.580 -6.802 187 HE1 PHE 24 HE1 PHE 24 64.237 -2.944 -1.970 188 HE2 PHE 24 HE2 PHE 24 65.492 -4.298 -5.847 189 HZ PHE 24 HZ PHE 24 65.951 -3.979 -3.431 190 H ASP 25 H ASP 25 60.501 -1.141 -8.043 191 HA ASP 25 HA ASP 25 62.924 -0.779 -9.445 192 1HB ASP 25 1HB ASP 25 60.086 -0.909 -9.929 193 2HB ASP 25 2HB ASP 25 60.785 0.358 -10.937 194 H ILE 26 H ILE 26 60.507 1.648 -8.449 195 HA ILE 26 HA ILE 26 62.009 3.888 -9.570 196 HB ILE 26 HB ILE 26 59.670 3.624 -7.658 197 1HG1 ILE 26 1HG1 ILE 26 58.616 4.632 -9.891 198 2HG1 ILE 26 2HG1 ILE 26 60.011 3.836 -10.621 199 1HG2 ILE 26 1HG2 ILE 26 61.181 5.822 -7.728 200 2HG2 ILE 26 2HG2 ILE 26 60.229 6.133 -9.181 201 3HG2 ILE 26 3HG2 ILE 26 59.423 5.919 -7.627 202 1HD1 ILE 26 1HD1 ILE 26 58.282 2.362 -8.647 203 2HD1 ILE 26 2HD1 ILE 26 57.808 2.470 -10.343 204 3HD1 ILE 26 3HD1 ILE 26 59.337 1.708 -9.902 205 H PHE 27 H PHE 27 61.821 2.241 -6.475 206 HA PHE 27 HA PHE 27 63.050 4.332 -4.886 207 1HB PHE 27 1HB PHE 27 62.363 1.425 -4.638 208 2HB PHE 27 2HB PHE 27 63.438 2.140 -3.436 209 HD1 PHE 27 HD1 PHE 27 60.699 3.888 -5.246 210 HD2 PHE 27 HD2 PHE 27 61.998 2.169 -1.529 211 HE1 PHE 27 HE1 PHE 27 58.749 4.899 -4.096 212 HE2 PHE 27 HE2 PHE 27 60.046 3.180 -0.379 213 HZ PHE 27 HZ PHE 27 58.423 4.546 -1.664 214 H VAL 28 H VAL 28 64.296 1.881 -7.034 215 HA VAL 28 HA VAL 28 67.060 2.316 -5.956 216 HB VAL 28 HB VAL 28 67.539 0.147 -6.903 217 1HG1 VAL 28 1HG1 VAL 28 65.569 0.581 -4.956 218 2HG1 VAL 28 2HG1 VAL 28 64.899 -0.666 -6.007 219 3HG1 VAL 28 3HG1 VAL 28 66.464 -0.913 -5.231 220 1HG2 VAL 28 1HG2 VAL 28 65.468 0.874 -8.717 221 2HG2 VAL 28 2HG2 VAL 28 66.508 -0.549 -8.780 222 3HG2 VAL 28 3HG2 VAL 28 64.967 -0.619 -7.925 223 H LEU 29 H LEU 29 65.581 4.130 -7.850 224 HA LEU 29 HA LEU 29 66.507 3.762 -10.535 225 1HB LEU 29 1HB LEU 29 65.275 5.822 -8.835 226 2HB LEU 29 2HB LEU 29 66.266 6.487 -10.134 227 HG LEU 29 HG LEU 29 64.250 4.303 -10.656 228 1HD1 LEU 29 1HD1 LEU 29 63.799 7.159 -10.070 229 2HD1 LEU 29 2HD1 LEU 29 63.069 6.603 -11.575 230 3HD1 LEU 29 3HD1 LEU 29 62.660 5.813 -10.052 231 1HD2 LEU 29 1HD2 LEU 29 66.190 5.146 -12.249 232 2HD2 LEU 29 2HD2 LEU 29 64.582 4.829 -12.902 233 3HD2 LEU 29 3HD2 LEU 29 65.079 6.483 -12.545 234 H GLY 30 H GLY 30 68.770 3.207 -10.450 235 1HA GLY 30 1HA GLY 30 70.790 4.735 -11.043 236 2HA GLY 30 2HA GLY 30 70.583 5.329 -9.394 237 H ALA 31 H ALA 31 69.793 2.614 -8.432 238 HA ALA 31 HA ALA 31 72.385 1.670 -7.634 239 1HB ALA 31 1HB ALA 31 69.528 0.894 -7.403 240 2HB ALA 31 2HB ALA 31 70.694 -0.407 -7.161 241 3HB ALA 31 3HB ALA 31 70.757 1.033 -6.145 242 H GLU 32 H GLU 32 73.653 -0.003 -8.482 243 HA GLU 32 HA GLU 32 73.160 -0.801 -11.253 244 1HB GLU 32 1HB GLU 32 75.364 -0.293 -9.887 245 2HB GLU 32 2HB GLU 32 75.244 -1.998 -9.451 246 1HG GLU 32 1HG GLU 32 76.065 -2.591 -11.458 247 2HG GLU 32 2HG GLU 32 74.747 -1.739 -12.263 248 H ASP 33 H ASP 33 73.430 -2.566 -8.139 249 HA ASP 33 HA ASP 33 72.548 -5.085 -9.332 250 1HB ASP 33 1HB ASP 33 73.229 -4.009 -6.607 251 2HB ASP 33 2HB ASP 33 72.439 -5.581 -6.745 252 H GLY 34 H GLY 34 71.039 -2.404 -7.609 253 1HA GLY 34 1HA GLY 34 68.607 -2.062 -8.082 254 2HA GLY 34 2HA GLY 34 68.411 -3.805 -7.899 255 H CYS 35 H CYS 35 70.445 -1.818 -5.811 256 HA CYS 35 HA CYS 35 68.651 -2.543 -3.524 257 1HB CYS 35 1HB CYS 35 71.574 -1.727 -3.585 258 2HB CYS 35 2HB CYS 35 70.697 -2.373 -2.197 259 HG CYS 35 HG CYS 35 71.361 -4.047 -4.757 260 H ILE 36 H ILE 36 68.571 -0.850 -1.759 261 HA ILE 36 HA ILE 36 68.482 1.887 -2.972 262 HB ILE 36 HB ILE 36 67.003 0.473 -0.746 263 1HG1 ILE 36 1HG1 ILE 36 65.887 2.072 -3.051 264 2HG1 ILE 36 2HG1 ILE 36 66.364 0.386 -3.260 265 1HG2 ILE 36 1HG2 ILE 36 67.669 2.789 -0.030 266 2HG2 ILE 36 2HG2 ILE 36 66.824 3.419 -1.443 267 3HG2 ILE 36 3HG2 ILE 36 65.925 2.576 -0.183 268 1HD1 ILE 36 1HD1 ILE 36 64.911 0.107 -1.027 269 2HD1 ILE 36 2HD1 ILE 36 64.111 1.537 -1.681 270 3HD1 ILE 36 3HD1 ILE 36 64.175 0.052 -2.629 271 H SER 37 H SER 37 69.184 3.673 -1.617 272 HA SER 37 HA SER 37 70.739 3.112 0.831 273 1HB SER 37 1HB SER 37 71.849 3.246 -1.832 274 2HB SER 37 2HB SER 37 72.490 4.546 -0.838 275 HG SER 37 HG SER 37 72.991 2.935 0.742 276 H THR 38 H THR 38 68.450 4.680 0.272 277 HA THR 38 HA THR 38 67.594 6.803 0.876 278 HB THR 38 HB THR 38 68.941 8.152 2.205 279 HG1 THR 38 HG1 THR 38 71.014 8.637 1.736 280 1HG2 THR 38 1HG2 THR 38 69.240 5.502 2.624 281 2HG2 THR 38 2HG2 THR 38 70.926 5.956 2.376 282 3HG2 THR 38 3HG2 THR 38 69.983 6.729 3.650 283 H LYS 39 H LYS 39 70.728 7.262 -0.829 284 HA LYS 39 HA LYS 39 70.044 9.503 -2.377 285 1HB LYS 39 1HB LYS 39 71.674 7.033 -3.069 286 2HB LYS 39 2HB LYS 39 71.747 8.552 -3.961 287 1HG LYS 39 1HG LYS 39 72.043 9.073 -1.140 288 2HG LYS 39 2HG LYS 39 73.214 7.854 -1.644 289 1HD LYS 39 1HD LYS 39 74.311 9.293 -3.067 290 2HD LYS 39 2HD LYS 39 72.851 10.215 -3.430 291 1HE LYS 39 1HE LYS 39 72.949 11.113 -1.050 292 2HE LYS 39 2HE LYS 39 74.566 10.389 -0.934 293 1HZ LYS 39 1HZ LYS 39 73.821 12.060 -3.251 294 2HZ LYS 39 2HZ LYS 39 74.375 12.782 -1.816 295 3HZ LYS 39 3HZ LYS 39 75.370 11.695 -2.655 296 H GLU 40 H GLU 40 69.174 6.115 -2.778 297 HA GLU 40 HA GLU 40 67.770 6.630 -5.343 298 1HB GLU 40 1HB GLU 40 68.081 4.142 -3.622 299 2HB GLU 40 2HB GLU 40 67.478 4.181 -5.277 300 1HG GLU 40 1HG GLU 40 69.693 3.645 -5.669 301 2HG GLU 40 2HG GLU 40 69.788 5.406 -5.732 302 H LEU 41 H LEU 41 67.166 6.150 -1.930 303 HA LEU 41 HA LEU 41 64.299 5.652 -2.174 304 1HB LEU 41 1HB LEU 41 66.034 5.006 -0.337 305 2HB LEU 41 2HB LEU 41 65.783 6.647 0.260 306 HG LEU 41 HG LEU 41 64.256 5.191 1.437 307 1HD1 LEU 41 1HD1 LEU 41 63.457 7.444 0.529 308 2HD1 LEU 41 2HD1 LEU 41 62.619 6.527 -0.724 309 3HD1 LEU 41 3HD1 LEU 41 62.195 6.293 0.972 310 1HD2 LEU 41 1HD2 LEU 41 63.915 4.052 -1.280 311 2HD2 LEU 41 2HD2 LEU 41 63.849 3.253 0.290 312 3HD2 LEU 41 3HD2 LEU 41 62.448 4.144 -0.306 313 H GLY 42 H GLY 42 66.070 8.360 -0.617 314 1HA GLY 42 1HA GLY 42 63.985 10.161 -0.335 315 2HA GLY 42 2HA GLY 42 65.633 10.677 -0.700 316 H LYS 43 H LYS 43 65.518 9.148 -3.305 317 HA LYS 43 HA LYS 43 64.862 11.247 -5.065 318 1HB LYS 43 1HB LYS 43 65.003 8.240 -5.315 319 2HB LYS 43 2HB LYS 43 64.690 9.263 -6.716 320 1HG LYS 43 1HG LYS 43 66.997 9.943 -4.930 321 2HG LYS 43 2HG LYS 43 67.172 8.610 -6.071 322 1HD LYS 43 1HD LYS 43 65.928 10.753 -7.463 323 2HD LYS 43 2HD LYS 43 67.303 11.424 -6.585 324 1HE LYS 43 1HE LYS 43 68.134 10.672 -8.733 325 2HE LYS 43 2HE LYS 43 68.687 9.488 -7.531 326 1HZ LYS 43 1HZ LYS 43 66.182 9.265 -9.117 327 2HZ LYS 43 2HZ LYS 43 67.614 8.418 -9.448 328 3HZ LYS 43 3HZ LYS 43 66.771 8.125 -8.005 329 H VAL 44 H VAL 44 62.780 8.684 -3.752 330 HA VAL 44 HA VAL 44 60.513 9.419 -5.462 331 HB VAL 44 HB VAL 44 60.782 7.628 -3.028 332 1HG1 VAL 44 1HG1 VAL 44 58.489 8.555 -4.334 333 2HG1 VAL 44 2HG1 VAL 44 58.755 6.942 -4.997 334 3HG1 VAL 44 3HG1 VAL 44 58.589 7.164 -3.254 335 1HG2 VAL 44 1HG2 VAL 44 62.133 7.262 -5.300 336 2HG2 VAL 44 2HG2 VAL 44 61.392 5.905 -4.451 337 3HG2 VAL 44 3HG2 VAL 44 60.579 6.625 -5.841 338 H MET 45 H MET 45 61.740 10.292 -2.307 339 HA MET 45 HA MET 45 59.379 11.143 -0.995 340 1HB MET 45 1HB MET 45 62.287 11.861 -0.973 341 2HB MET 45 2HB MET 45 61.170 12.875 -0.060 342 1HG MET 45 1HG MET 45 62.102 11.033 1.328 343 2HG MET 45 2HG MET 45 60.349 10.920 1.166 344 1HE MET 45 1HE MET 45 59.106 9.560 0.169 345 2HE MET 45 2HE MET 45 59.531 9.122 -1.492 346 3HE MET 45 3HE MET 45 59.461 7.884 -0.241 347 H ARG 46 H ARG 46 61.568 13.060 -3.099 348 HA ARG 46 HA ARG 46 60.107 15.486 -3.060 349 1HB ARG 46 1HB ARG 46 62.156 14.135 -4.666 350 2HB ARG 46 2HB ARG 46 61.178 15.256 -5.613 351 1HG ARG 46 1HG ARG 46 61.832 17.104 -4.356 352 2HG ARG 46 2HG ARG 46 62.220 16.129 -2.937 353 1HD ARG 46 1HD ARG 46 64.366 16.624 -3.736 354 2HD ARG 46 2HD ARG 46 64.052 15.091 -4.573 355 HE ARG 46 HE ARG 46 63.066 17.453 -6.003 356 1HH1 ARG 46 1HH2 ARG 46 66.142 17.455 -5.464 357 2HH1 ARG 46 2HH2 ARG 46 66.704 16.796 -6.963 358 1HH2 ARG 46 1HH1 ARG 46 63.579 15.659 -7.944 359 2HH2 ARG 46 2HH1 ARG 46 65.254 15.781 -8.368 360 H MET 47 H MET 47 59.558 12.493 -4.843 361 HA MET 47 HA MET 47 57.493 13.667 -6.578 362 1HB MET 47 1HB MET 47 58.620 10.912 -6.039 363 2HB MET 47 2HB MET 47 57.248 11.150 -7.122 364 1HG MET 47 1HG MET 47 59.292 13.071 -7.760 365 2HG MET 47 2HG MET 47 60.004 11.458 -7.730 366 1HE MET 47 1HE MET 47 57.970 9.579 -8.265 367 2HE MET 47 2HE MET 47 57.625 9.425 -9.993 368 3HE MET 47 3HE MET 47 59.291 9.455 -9.423 369 H LEU 48 H LEU 48 57.673 11.915 -3.531 370 HA LEU 48 HA LEU 48 54.799 11.319 -3.449 371 1HB LEU 48 1HB LEU 48 57.103 11.108 -1.491 372 2HB LEU 48 2HB LEU 48 55.465 10.575 -1.114 373 HG LEU 48 HG LEU 48 57.243 9.536 -3.339 374 1HD1 LEU 48 1HD1 LEU 48 56.733 8.747 -0.602 375 2HD1 LEU 48 2HD1 LEU 48 56.208 7.479 -1.710 376 3HD1 LEU 48 3HD1 LEU 48 57.873 8.058 -1.758 377 1HD2 LEU 48 1HD2 LEU 48 54.322 9.073 -2.696 378 2HD2 LEU 48 2HD2 LEU 48 55.031 9.555 -4.237 379 3HD2 LEU 48 3HD2 LEU 48 55.269 7.914 -3.631 380 H GLY 49 H GLY 49 56.280 14.177 -3.346 381 1HA GLY 49 1HA GLY 49 55.526 16.267 -2.555 382 2HA GLY 49 2HA GLY 49 54.182 15.434 -1.773 383 H GLN 50 H GLN 50 57.638 14.783 -1.311 384 HA GLN 50 HA GLN 50 57.565 16.040 1.375 385 1HB GLN 50 1HB GLN 50 57.107 13.252 0.813 386 2HB GLN 50 2HB GLN 50 58.610 13.421 1.721 387 1HG GLN 50 1HG GLN 50 55.914 14.571 2.505 388 2HG GLN 50 2HG GLN 50 56.725 13.204 3.271 389 1HE2 GLN 50 2HE2 GLN 50 56.014 16.047 4.281 390 2HE2 GLN 50 1HE2 GLN 50 57.475 16.616 4.932 391 H ASN 51 H ASN 51 59.809 15.728 2.437 392 HA ASN 51 HA ASN 51 62.059 15.094 0.678 393 1HB ASN 51 1HB ASN 51 61.231 17.309 -0.139 394 2HB ASN 51 2HB ASN 51 61.503 17.972 1.472 395 1HD2 ASN 51 2HD2 ASN 51 63.464 15.822 -0.678 396 2HD2 ASN 51 1HD2 ASN 51 64.874 16.760 -0.566 397 HA PRO 52 HA PRO 52 62.779 14.926 5.250 398 1HB PRO 52 1HB PRO 52 63.799 12.386 5.252 399 2HB PRO 52 2HB PRO 52 62.063 12.731 5.383 400 1HG PRO 52 1HG PRO 52 63.647 11.870 3.014 401 2HG PRO 52 2HG PRO 52 62.017 11.395 3.516 402 1HD PRO 52 1HD PRO 52 62.514 13.210 1.542 403 2HD PRO 52 2HD PRO 52 61.042 13.219 2.539 404 H THR 53 H THR 53 64.844 15.138 6.262 405 HA THR 53 HA THR 53 67.031 15.993 4.612 406 HB THR 53 HB THR 53 68.183 16.124 6.786 407 HG1 THR 53 HG1 THR 53 65.957 14.629 7.705 408 1HG2 THR 53 1HG2 THR 53 65.856 17.428 6.088 409 2HG2 THR 53 2HG2 THR 53 65.485 16.825 7.703 410 3HG2 THR 53 3HG2 THR 53 66.891 17.860 7.449 411 HA PRO 54 HA PRO 54 69.182 12.249 3.830 412 1HB PRO 54 1HB PRO 54 71.797 12.990 4.158 413 2HB PRO 54 2HB PRO 54 70.813 13.501 2.771 414 1HG PRO 54 1HG PRO 54 71.535 15.004 5.235 415 2HG PRO 54 2HG PRO 54 71.400 15.572 3.564 416 1HD PRO 54 1HD PRO 54 69.484 15.991 5.461 417 2HD PRO 54 2HD PRO 54 69.141 15.899 3.719 418 H GLU 55 H GLU 55 69.652 13.857 6.888 419 HA GLU 55 HA GLU 55 71.190 11.726 8.154 420 1HB GLU 55 1HB GLU 55 69.525 14.006 9.275 421 2HB GLU 55 2HB GLU 55 70.722 13.073 10.173 422 1HG GLU 55 1HG GLU 55 71.308 14.728 7.700 423 2HG GLU 55 2HG GLU 55 71.654 15.225 9.357 424 H GLU 56 H GLU 56 67.770 12.544 7.805 425 HA GLU 56 HA GLU 56 66.930 10.430 9.697 426 1HB GLU 56 1HB GLU 56 65.928 12.870 8.662 427 2HB GLU 56 2HB GLU 56 64.832 11.608 8.096 428 1HG GLU 56 1HG GLU 56 64.063 11.165 10.188 429 2HG GLU 56 2HG GLU 56 65.663 11.333 10.913 430 H LEU 57 H LEU 57 67.833 10.603 6.449 431 HA LEU 57 HA LEU 57 65.918 8.851 5.201 432 1HB LEU 57 1HB LEU 57 68.440 10.192 4.651 433 2HB LEU 57 2HB LEU 57 68.419 8.574 3.950 434 HG LEU 57 HG LEU 57 66.305 10.712 3.550 435 1HD1 LEU 57 1HD1 LEU 57 68.770 10.002 2.159 436 2HD1 LEU 57 2HD1 LEU 57 67.363 9.893 1.100 437 3HD1 LEU 57 3HD1 LEU 57 67.724 11.405 1.934 438 1HD2 LEU 57 1HD2 LEU 57 65.914 7.997 3.529 439 2HD2 LEU 57 2HD2 LEU 57 64.980 9.140 2.562 440 3HD2 LEU 57 3HD2 LEU 57 66.355 8.296 1.847 441 H GLN 58 H GLN 58 69.255 8.195 6.341 442 HA GLN 58 HA GLN 58 69.488 5.482 5.945 443 1HB GLN 58 1HB GLN 58 70.693 7.477 7.487 444 2HB GLN 58 2HB GLN 58 70.261 6.232 8.659 445 1HG GLN 58 1HG GLN 58 71.427 5.199 6.151 446 2HG GLN 58 2HG GLN 58 72.528 6.174 7.126 447 1HE2 GLN 58 2HE2 GLN 58 72.078 3.071 6.656 448 2HE2 GLN 58 1HE2 GLN 58 72.166 2.449 8.233 449 H GLU 59 H GLU 59 67.744 7.013 8.668 450 HA GLU 59 HA GLU 59 67.015 4.845 10.219 451 1HB GLU 59 1HB GLU 59 66.389 7.346 10.331 452 2HB GLU 59 2HB GLU 59 65.025 6.924 9.294 453 1HG GLU 59 1HG GLU 59 64.036 5.564 10.923 454 2HG GLU 59 2HG GLU 59 65.552 5.343 11.797 455 H MET 60 H MET 60 65.056 5.982 7.428 456 HA MET 60 HA MET 60 63.159 3.965 7.277 457 1HB MET 60 1HB MET 60 64.745 5.324 5.074 458 2HB MET 60 2HB MET 60 63.248 4.431 4.802 459 1HG MET 60 1HG MET 60 62.922 6.311 6.979 460 2HG MET 60 2HG MET 60 63.489 7.140 5.530 461 1HE MET 60 1HE MET 60 62.849 6.507 3.368 462 2HE MET 60 2HE MET 60 61.777 5.136 3.058 463 3HE MET 60 3HE MET 60 61.177 6.783 2.887 464 H ILE 61 H ILE 61 66.413 3.854 5.781 465 HA ILE 61 HA ILE 61 66.144 1.121 4.866 466 HB ILE 61 HB ILE 61 68.376 3.121 5.240 467 1HG1 ILE 61 1HG1 ILE 61 68.363 2.489 2.635 468 2HG1 ILE 61 2HG1 ILE 61 66.698 2.048 3.015 469 1HG2 ILE 61 1HG2 ILE 61 68.554 0.192 4.716 470 2HG2 ILE 61 2HG2 ILE 61 69.568 1.242 3.726 471 3HG2 ILE 61 3HG2 ILE 61 69.721 1.271 5.482 472 1HD1 ILE 61 1HD1 ILE 61 67.752 4.678 3.993 473 2HD1 ILE 61 2HD1 ILE 61 67.288 4.525 2.299 474 3HD1 ILE 61 3HD1 ILE 61 66.101 4.224 3.569 475 H ASP 62 H ASP 62 67.357 2.638 7.818 476 HA ASP 62 HA ASP 62 68.623 0.224 8.857 477 1HB ASP 62 1HB ASP 62 69.278 2.551 9.427 478 2HB ASP 62 2HB ASP 62 67.706 2.793 10.190 479 H GLU 63 H GLU 63 65.391 1.504 8.813 480 HA GLU 63 HA GLU 63 64.317 0.318 11.178 481 1HB GLU 63 1HB GLU 63 63.176 1.028 8.462 482 2HB GLU 63 2HB GLU 63 62.171 0.522 9.820 483 1HG GLU 63 1HG GLU 63 64.157 2.700 10.303 484 2HG GLU 63 2HG GLU 63 62.709 3.099 9.377 485 H VAL 64 H VAL 64 65.501 -1.146 8.309 486 HA VAL 64 HA VAL 64 64.408 -3.771 9.199 487 HB VAL 64 HB VAL 64 63.710 -4.216 6.844 488 1HG1 VAL 64 1HG1 VAL 64 62.202 -3.166 8.648 489 2HG1 VAL 64 2HG1 VAL 64 62.456 -1.640 7.802 490 3HG1 VAL 64 3HG1 VAL 64 61.680 -2.989 6.973 491 1HG2 VAL 64 1HG2 VAL 64 65.372 -2.424 5.980 492 2HG2 VAL 64 2HG2 VAL 64 63.807 -2.539 5.175 493 3HG2 VAL 64 3HG2 VAL 64 64.099 -1.262 6.355 494 H ASP 65 H ASP 65 67.110 -2.254 8.910 495 HA ASP 65 HA ASP 65 68.558 -3.906 6.942 496 1HB ASP 65 1HB ASP 65 68.919 -1.429 7.524 497 2HB ASP 65 2HB ASP 65 69.668 -2.001 9.014 498 H GLU 66 H GLU 66 68.281 -6.040 7.891 499 HA GLU 66 HA GLU 66 69.387 -6.493 10.608 500 1HB GLU 66 1HB GLU 66 67.504 -7.730 8.763 501 2HB GLU 66 2HB GLU 66 68.647 -8.914 9.395 502 1HG GLU 66 1HG GLU 66 68.034 -8.496 11.634 503 2HG GLU 66 2HG GLU 66 67.277 -6.953 11.230 504 H ASP 67 H ASP 67 70.905 -5.902 7.890 505 HA ASP 67 HA ASP 67 72.812 -8.209 8.128 506 1HB ASP 67 1HB ASP 67 72.468 -6.412 5.723 507 2HB ASP 67 2HB ASP 67 73.147 -8.038 5.783 508 H GLY 68 H GLY 68 72.365 -4.749 8.129 509 1HA GLY 68 1HA GLY 68 73.844 -3.097 8.941 510 2HA GLY 68 2HA GLY 68 75.056 -4.354 9.191 511 H SER 69 H SER 69 73.757 -4.550 6.084 512 HA SER 69 HA SER 69 76.253 -3.808 4.823 513 1HB SER 69 1HB SER 69 74.969 -4.302 2.779 514 2HB SER 69 2HB SER 69 74.642 -5.518 4.012 515 HG SER 69 HG SER 69 73.039 -3.376 3.121 516 H GLY 70 H GLY 70 73.372 -2.054 5.689 517 1HA GLY 70 1HA GLY 70 73.285 0.359 5.731 518 2HA GLY 70 2HA GLY 70 74.556 0.398 4.508 519 H THR 71 H THR 71 73.377 -1.491 2.704 520 HA THR 71 HA THR 71 71.356 0.269 1.454 521 HB THR 71 HB THR 71 71.703 -1.418 -0.417 522 HG1 THR 71 HG1 THR 71 72.972 -3.085 -0.070 523 1HG2 THR 71 1HG2 THR 71 73.939 0.148 0.844 524 2HG2 THR 71 2HG2 THR 71 74.228 -0.786 -0.624 525 3HG2 THR 71 3HG2 THR 71 73.025 0.505 -0.621 526 H VAL 72 H VAL 72 69.398 -0.876 0.446 527 HA VAL 72 HA VAL 72 68.310 -2.896 2.380 528 HB VAL 72 HB VAL 72 67.119 -0.607 0.807 529 1HG1 VAL 72 1HG1 VAL 72 65.644 -2.877 2.181 530 2HG1 VAL 72 2HG1 VAL 72 64.890 -1.398 1.585 531 3HG1 VAL 72 3HG1 VAL 72 65.635 -2.525 0.452 532 1HG2 VAL 72 1HG2 VAL 72 67.338 -1.413 3.708 533 2HG2 VAL 72 2HG2 VAL 72 67.853 0.091 2.945 534 3HG2 VAL 72 3HG2 VAL 72 66.136 -0.236 3.178 535 H ASP 73 H ASP 73 66.926 -4.562 1.445 536 HA ASP 73 HA ASP 73 67.348 -4.996 -1.495 537 1HB ASP 73 1HB ASP 73 68.696 -6.338 0.328 538 2HB ASP 73 2HB ASP 73 67.183 -7.225 0.519 539 H PHE 74 H PHE 74 65.622 -6.291 -2.508 540 HA PHE 74 HA PHE 74 62.995 -5.550 -1.954 541 1HB PHE 74 1HB PHE 74 63.970 -6.785 -3.951 542 2HB PHE 74 2HB PHE 74 63.863 -8.262 -2.994 543 HD1 PHE 74 HD1 PHE 74 61.515 -5.361 -3.077 544 HD2 PHE 74 HD2 PHE 74 62.138 -9.501 -4.039 545 HE1 PHE 74 HE1 PHE 74 59.120 -5.582 -3.678 546 HE2 PHE 74 HE2 PHE 74 59.742 -9.721 -4.641 547 HZ PHE 74 HZ PHE 74 58.234 -7.761 -4.460 548 H ASP 75 H ASP 75 64.927 -8.007 -0.365 549 HA ASP 75 HA ASP 75 62.761 -9.432 0.909 550 1HB ASP 75 1HB ASP 75 65.733 -9.137 1.205 551 2HB ASP 75 2HB ASP 75 64.834 -9.962 2.479 552 H GLU 76 H GLU 76 65.092 -7.038 2.229 553 HA GLU 76 HA GLU 76 63.645 -6.697 4.711 554 1HB GLU 76 1HB GLU 76 65.657 -4.908 3.305 555 2HB GLU 76 2HB GLU 76 65.273 -4.886 5.027 556 1HG GLU 76 1HG GLU 76 66.218 -7.043 5.371 557 2HG GLU 76 2HG GLU 76 66.280 -7.374 3.639 558 H PHE 77 H PHE 77 63.787 -4.853 1.663 559 HA PHE 77 HA PHE 77 62.288 -2.582 2.344 560 1HB PHE 77 1HB PHE 77 63.336 -2.814 0.199 561 2HB PHE 77 2HB PHE 77 62.438 -4.292 -0.151 562 HD1 PHE 77 HD1 PHE 77 62.205 -0.616 0.171 563 HD2 PHE 77 HD2 PHE 77 60.139 -4.226 -0.900 564 HE1 PHE 77 HE1 PHE 77 60.394 0.727 -0.858 565 HE2 PHE 77 HE2 PHE 77 58.325 -2.882 -1.928 566 HZ PHE 77 HZ PHE 77 58.453 -0.406 -1.907 567 H LEU 78 H LEU 78 61.213 -5.893 1.948 568 HA LEU 78 HA LEU 78 58.388 -5.312 1.623 569 1HB LEU 78 1HB LEU 78 60.088 -7.696 2.359 570 2HB LEU 78 2HB LEU 78 58.327 -7.803 2.386 571 HG LEU 78 HG LEU 78 59.669 -6.647 -0.033 572 1HD1 LEU 78 1HD1 LEU 78 60.807 -8.838 0.602 573 2HD1 LEU 78 2HD1 LEU 78 59.245 -9.619 0.355 574 3HD1 LEU 78 3HD1 LEU 78 60.050 -8.810 -0.990 575 1HD2 LEU 78 1HD2 LEU 78 57.099 -8.041 0.670 576 2HD2 LEU 78 2HD2 LEU 78 57.337 -6.525 -0.199 577 3HD2 LEU 78 3HD2 LEU 78 57.669 -8.062 -0.998 578 H VAL 79 H VAL 79 60.438 -6.206 4.417 579 HA VAL 79 HA VAL 79 58.444 -6.390 6.409 580 HB VAL 79 HB VAL 79 61.311 -5.409 6.407 581 1HG1 VAL 79 1HG1 VAL 79 59.922 -4.513 8.347 582 2HG1 VAL 79 2HG1 VAL 79 59.692 -6.190 8.843 583 3HG1 VAL 79 3HG1 VAL 79 61.313 -5.497 8.802 584 1HG2 VAL 79 1HG2 VAL 79 60.564 -7.852 5.860 585 2HG2 VAL 79 2HG2 VAL 79 61.863 -7.610 7.028 586 3HG2 VAL 79 3HG2 VAL 79 60.228 -7.962 7.588 587 H MET 80 H MET 80 60.308 -3.503 5.394 588 HA MET 80 HA MET 80 59.208 -1.578 7.103 589 1HB MET 80 1HB MET 80 60.779 -1.726 4.765 590 2HB MET 80 2HB MET 80 59.478 -0.596 4.388 591 1HG MET 80 1HG MET 80 60.042 0.835 6.185 592 2HG MET 80 2HG MET 80 61.017 -0.404 6.976 593 1HE MET 80 1HE MET 80 60.499 1.336 3.618 594 2HE MET 80 2HE MET 80 62.094 1.333 2.869 595 3HE MET 80 3HE MET 80 61.237 -0.187 3.105 596 H MET 81 H MET 81 57.852 -2.854 4.060 597 HA MET 81 HA MET 81 55.593 -1.067 3.952 598 1HB MET 81 1HB MET 81 56.699 -3.379 2.577 599 2HB MET 81 2HB MET 81 54.942 -3.491 2.687 600 1HG MET 81 1HG MET 81 55.782 -2.257 0.645 601 2HG MET 81 2HG MET 81 54.665 -1.333 1.649 602 1HE MET 81 1HE MET 81 55.865 -0.165 -0.317 603 2HE MET 81 2HE MET 81 56.387 1.367 0.396 604 3HE MET 81 3HE MET 81 57.567 0.290 -0.348 605 H VAL 82 H VAL 82 56.148 -4.207 5.503 606 HA VAL 82 HA VAL 82 53.419 -4.803 6.167 607 HB VAL 82 HB VAL 82 55.949 -5.502 7.687 608 1HG1 VAL 82 1HG1 VAL 82 53.328 -6.972 7.260 609 2HG1 VAL 82 2HG1 VAL 82 54.710 -7.589 8.163 610 3HG1 VAL 82 3HG1 VAL 82 53.830 -6.180 8.753 611 1HG2 VAL 82 1HG2 VAL 82 55.204 -6.049 4.946 612 2HG2 VAL 82 2HG2 VAL 82 56.681 -6.492 5.801 613 3HG2 VAL 82 3HG2 VAL 82 55.273 -7.551 5.867 614 H ARG 83 H ARG 83 55.939 -2.913 7.793 615 HA ARG 83 HA ARG 83 54.773 -2.539 10.331 616 1HB ARG 83 1HB ARG 83 56.310 -0.602 8.567 617 2HB ARG 83 2HB ARG 83 56.122 -0.451 10.314 618 1HG ARG 83 1HG ARG 83 57.208 -2.678 10.590 619 2HG ARG 83 2HG ARG 83 57.478 -2.730 8.848 620 1HD ARG 83 1HD ARG 83 59.495 -1.781 9.457 621 2HD ARG 83 2HD ARG 83 58.538 -0.288 9.412 622 HE ARG 83 HE ARG 83 58.203 -0.515 11.849 623 1HH1 ARG 83 1HH1 ARG 83 61.072 -1.564 10.468 624 2HH1 ARG 83 2HH1 ARG 83 61.645 -2.410 11.867 625 1HH2 ARG 83 1HH2 ARG 83 58.673 -2.064 13.620 626 2HH2 ARG 83 2HH2 ARG 83 60.286 -2.693 13.652 627 H CYS 84 H CYS 84 53.686 -1.390 7.246 628 HA CYS 84 HA CYS 84 51.711 0.405 8.624 629 1HB CYS 84 1HB CYS 84 53.439 0.671 6.209 630 2HB CYS 84 2HB CYS 84 51.823 1.372 6.106 631 HG CYS 84 HG CYS 84 53.039 2.255 8.692 632 H MET 85 H MET 85 51.152 -2.350 8.280 633 HA MET 85 HA MET 85 49.142 -2.286 6.049 634 1HB MET 85 1HB MET 85 51.249 -4.183 6.851 635 2HB MET 85 2HB MET 85 49.685 -4.943 6.558 636 1HG MET 85 1HG MET 85 50.405 -2.924 4.546 637 2HG MET 85 2HG MET 85 51.513 -4.296 4.599 638 1HE MET 85 1HE MET 85 50.846 -6.637 4.734 639 2HE MET 85 2HE MET 85 49.369 -6.637 5.694 640 3HE MET 85 3HE MET 85 49.381 -7.364 4.082 641 H LYS 86 H LYS 86 49.889 -3.356 9.349 642 HA LYS 86 HA LYS 86 48.462 -4.168 11.061 643 1HB LYS 86 1HB LYS 86 47.897 -1.659 10.394 644 2HB LYS 86 2HB LYS 86 46.376 -2.377 9.865 645 1HG LYS 86 1HG LYS 86 46.173 -3.446 12.135 646 2HG LYS 86 2HG LYS 86 47.589 -2.521 12.637 647 1HD LYS 86 1HD LYS 86 45.481 -0.927 11.318 648 2HD LYS 86 2HD LYS 86 45.017 -1.624 12.871 649 1HE LYS 86 1HE LYS 86 47.190 -0.687 13.819 650 2HE LYS 86 2HE LYS 86 47.359 0.217 12.301 651 1HZ LYS 86 1HZ LYS 86 44.748 0.263 13.605 652 2HZ LYS 86 2HZ LYS 86 45.982 1.164 14.342 653 3HZ LYS 86 3HZ LYS 86 45.545 1.483 12.732 654 H ASP 87 H ASP 87 48.424 -6.133 9.268 655 HA ASP 87 HA ASP 87 45.804 -6.595 8.052 656 1HB ASP 87 1HB ASP 87 48.127 -7.402 7.303 657 2HB ASP 87 2HB ASP 87 48.013 -8.591 8.603 658 H ASP 88 H ASP 88 44.312 -6.537 9.843 659 HA ASP 88 HA ASP 88 44.428 -8.975 11.574 660 1HB ASP 88 1HB ASP 88 44.638 -6.142 12.287 661 2HB ASP 88 2HB ASP 88 43.337 -6.958 13.155 662 H SER 89 H SER 89 42.489 -6.328 10.203 663 HA SER 89 HA SER 89 40.205 -6.274 9.587 664 1HB SER 89 1HB SER 89 40.226 -8.147 8.285 665 2HB SER 89 2HB SER 89 41.142 -9.067 9.476 666 HG SER 89 HG SER 89 39.241 -9.422 10.608 667 1H ARG 1 1H ARG 1 59.725 10.995 4.649 668 2H ARG 1 2H ARG 1 58.380 11.258 5.654 669 3H ARG 1 3H ARG 1 59.932 11.139 6.329 670 HA ARG 1 HA ARG 1 60.087 8.822 5.763 671 1HB ARG 1 1HB ARG 1 58.298 8.083 7.277 672 2HB ARG 1 2HB ARG 1 58.965 9.613 7.846 673 1HG ARG 1 1HG ARG 1 56.854 10.159 5.977 674 2HG ARG 1 2HG ARG 1 56.259 9.035 7.201 675 1HD ARG 1 1HD ARG 1 56.687 10.536 8.968 676 2HD ARG 1 2HD ARG 1 57.834 11.486 8.004 677 HE ARG 1 HE ARG 1 55.961 12.413 6.758 678 1HH1 ARG 1 1HH2 ARG 1 55.079 12.807 9.613 679 2HH1 ARG 1 2HH2 ARG 1 53.456 12.203 9.568 680 1HH2 ARG 1 1HH1 ARG 1 53.881 10.529 6.560 681 2HH2 ARG 1 2HH1 ARG 1 52.778 10.914 7.838 682 H ILE 2 H ILE 2 57.264 7.561 5.780 683 HA ILE 2 HA ILE 2 56.061 8.080 3.206 684 HB ILE 2 HB ILE 2 58.204 7.201 2.429 685 1HG1 ILE 2 1HG1 ILE 2 56.203 4.943 2.210 686 2HG1 ILE 2 2HG1 ILE 2 55.996 6.469 1.351 687 1HG2 ILE 2 1HG2 ILE 2 58.015 5.630 4.767 688 2HG2 ILE 2 2HG2 ILE 2 57.984 4.494 3.417 689 3HG2 ILE 2 3HG2 ILE 2 59.324 5.629 3.585 690 1HD1 ILE 2 1HD1 ILE 2 58.658 5.734 0.872 691 2HD1 ILE 2 2HD1 ILE 2 57.742 4.235 0.720 692 3HD1 ILE 2 3HD1 ILE 2 57.319 5.631 -0.270 693 H SER 3 H SER 3 54.175 6.771 2.928 694 HA SER 3 HA SER 3 53.607 4.880 5.190 695 1HB SER 3 1HB SER 3 51.175 5.725 4.552 696 2HB SER 3 2HB SER 3 52.217 6.705 5.581 697 HG SER 3 HG SER 3 52.460 8.104 4.006 698 H ALA 4 H ALA 4 51.383 5.428 2.551 699 HA ALA 4 HA ALA 4 52.296 3.201 0.902 700 1HB ALA 4 1HB ALA 4 51.369 2.193 3.054 701 2HB ALA 4 2HB ALA 4 49.792 2.810 2.562 702 3HB ALA 4 3HB ALA 4 50.619 1.612 1.568 703 H ASP 5 H ASP 5 49.356 4.988 1.915 704 HA ASP 5 HA ASP 5 48.093 4.839 -0.685 705 1HB ASP 5 1HB ASP 5 47.728 6.637 1.733 706 2HB ASP 5 2HB ASP 5 46.607 6.571 0.372 707 H ALA 6 H ALA 6 49.956 7.388 0.994 708 HA ALA 6 HA ALA 6 49.736 9.322 -1.143 709 1HB ALA 6 1HB ALA 6 50.463 9.344 1.460 710 2HB ALA 6 2HB ALA 6 52.062 9.320 0.716 711 3HB ALA 6 3HB ALA 6 50.931 10.619 0.336 712 H MET 7 H MET 7 51.417 6.401 -0.978 713 HA MET 7 HA MET 7 53.804 7.259 -2.471 714 1HB MET 7 1HB MET 7 53.058 5.147 -0.800 715 2HB MET 7 2HB MET 7 53.195 4.402 -2.394 716 1HG MET 7 1HG MET 7 55.420 5.922 -2.441 717 2HG MET 7 2HG MET 7 55.298 5.651 -0.701 718 1HE MET 7 1HE MET 7 55.495 4.527 -4.093 719 2HE MET 7 2HE MET 7 57.133 3.975 -3.755 720 3HE MET 7 3HE MET 7 55.863 2.806 -4.143 721 H MET 8 H MET 8 50.936 5.209 -3.141 722 HA MET 8 HA MET 8 51.595 4.939 -5.969 723 1HB MET 8 1HB MET 8 49.038 4.408 -4.419 724 2HB MET 8 2HB MET 8 49.441 3.754 -6.008 725 1HG MET 8 1HG MET 8 51.140 3.288 -3.544 726 2HG MET 8 2HG MET 8 49.877 2.176 -4.074 727 1HE MET 8 1HE MET 8 53.087 2.918 -3.745 728 2HE MET 8 2HE MET 8 54.025 1.976 -4.901 729 3HE MET 8 3HE MET 8 53.608 3.647 -5.271 730 H GLN 9 H GLN 9 50.049 7.365 -4.081 731 HA GLN 9 HA GLN 9 48.279 8.361 -6.199 732 1HB GLN 9 1HB GLN 9 47.863 8.538 -3.735 733 2HB GLN 9 2HB GLN 9 49.248 9.625 -3.615 734 1HG GLN 9 1HG GLN 9 47.971 11.365 -4.244 735 2HG GLN 9 2HG GLN 9 47.536 10.532 -5.737 736 1HE2 GLN 9 2HE2 GLN 9 45.543 9.264 -5.751 737 2HE2 GLN 9 1HE2 GLN 9 44.375 9.445 -4.533 738 H ALA 10 H ALA 10 51.408 9.319 -4.772 739 HA ALA 10 HA ALA 10 51.714 11.639 -6.520 740 1HB ALA 10 1HB ALA 10 52.932 10.428 -4.214 741 2HB ALA 10 2HB ALA 10 54.186 10.744 -5.413 742 3HB ALA 10 3HB ALA 10 53.162 12.062 -4.838 743 H LEU 11 H LEU 11 52.915 8.299 -6.456 744 HA LEU 11 HA LEU 11 53.633 8.534 -9.328 745 1HB LEU 11 1HB LEU 11 55.897 7.545 -8.745 746 2HB LEU 11 2HB LEU 11 55.656 9.194 -8.169 747 HG LEU 11 HG LEU 11 54.661 7.735 -6.070 748 1HD1 LEU 11 1HD1 LEU 11 57.014 6.226 -7.249 749 2HD1 LEU 11 2HD1 LEU 11 56.361 5.965 -5.630 750 3HD1 LEU 11 3HD1 LEU 11 55.374 5.615 -7.047 751 1HD2 LEU 11 1HD2 LEU 11 56.258 9.642 -5.982 752 2HD2 LEU 11 2HD2 LEU 11 56.762 8.316 -4.936 753 3HD2 LEU 11 3HD2 LEU 11 57.554 8.560 -6.492 754 H LEU 12 H LEU 12 54.676 6.154 -9.865 755 HA LEU 12 HA LEU 12 54.174 3.851 -10.082 756 1HB LEU 12 1HB LEU 12 53.823 4.588 -7.200 757 2HB LEU 12 2HB LEU 12 53.304 2.985 -7.708 758 HG LEU 12 HG LEU 12 55.459 2.295 -8.218 759 1HD1 LEU 12 1HD1 LEU 12 56.022 5.217 -8.724 760 2HD1 LEU 12 2HD1 LEU 12 57.337 4.063 -8.518 761 3HD1 LEU 12 3HD1 LEU 12 56.181 3.857 -9.834 762 1HD2 LEU 12 1HD2 LEU 12 55.335 4.143 -5.910 763 2HD2 LEU 12 2HD2 LEU 12 55.862 2.461 -5.980 764 3HD2 LEU 12 3HD2 LEU 12 56.963 3.750 -6.466 765 H GLY 13 H GLY 13 52.205 2.240 -9.557 766 1HA GLY 13 1HA GLY 13 49.880 1.809 -9.612 767 2HA GLY 13 2HA GLY 13 49.592 3.526 -9.332 768 H ALA 14 H ALA 14 50.785 4.755 -11.444 769 HA ALA 14 HA ALA 14 50.578 5.188 -13.767 770 1HB ALA 14 1HB ALA 14 51.103 2.501 -13.491 771 2HB ALA 14 2HB ALA 14 49.577 2.474 -14.375 772 3HB ALA 14 3HB ALA 14 50.967 3.332 -15.041 773 H ARG 15 H ARG 15 48.046 2.791 -12.920 774 HA ARG 15 HA ARG 15 45.693 2.955 -13.053 775 1HB ARG 15 1HB ARG 15 46.384 5.023 -11.697 776 2HB ARG 15 2HB ARG 15 46.206 5.934 -13.196 777 1HG ARG 15 1HG ARG 15 43.916 5.704 -13.230 778 2HG ARG 15 2HG ARG 15 43.957 4.135 -12.425 779 1HD ARG 15 1HD ARG 15 44.780 5.467 -10.339 780 2HD ARG 15 2HD ARG 15 44.131 6.883 -11.189 781 HE ARG 15 HE ARG 15 42.173 4.849 -11.362 782 1HH1 ARG 15 1HH1 ARG 15 43.745 5.163 -8.511 783 2HH1 ARG 15 2HH1 ARG 15 42.437 5.860 -7.616 784 1HH2 ARG 15 1HH2 ARG 15 40.479 6.445 -10.416 785 2HH2 ARG 15 2HH2 ARG 15 40.590 6.586 -8.694 786 H ALA 16 H ALA 16 44.532 2.536 -14.886 787 HA ALA 16 HA ALA 16 45.086 4.193 -17.326 788 1HB ALA 16 1HB ALA 16 45.596 1.473 -16.841 789 2HB ALA 16 2HB ALA 16 44.141 1.490 -17.836 790 3HB ALA 16 3HB ALA 16 45.609 2.277 -18.411 791 H LYS 17 H LYS 17 42.875 3.898 -15.049 792 HA LYS 17 HA LYS 17 40.588 4.130 -16.964 793 1HB LYS 17 1HB LYS 17 39.269 2.765 -15.332 794 2HB LYS 17 2HB LYS 17 40.620 1.869 -16.027 795 1HG LYS 17 1HG LYS 17 41.900 2.020 -14.062 796 2HG LYS 17 2HG LYS 17 40.966 3.386 -13.450 797 1HD LYS 17 1HD LYS 17 39.247 1.096 -13.894 798 2HD LYS 17 2HD LYS 17 40.584 0.673 -12.823 799 1HE LYS 17 1HE LYS 17 39.377 3.299 -12.226 800 2HE LYS 17 2HE LYS 17 38.284 1.922 -11.982 801 1HZ LYS 17 1HZ LYS 17 41.075 2.084 -10.971 802 2HZ LYS 17 2HZ LYS 17 39.686 2.332 -10.026 803 3HZ LYS 17 3HZ LYS 17 39.990 0.807 -10.711 Start of MODEL 39 1 1H MET 1 1H MET 1 61.127 -16.487 16.716 2 2H MET 1 2H MET 1 61.229 -17.862 17.703 3 3H MET 1 3H MET 1 59.813 -17.559 16.815 4 HA MET 1 HA MET 1 59.430 -16.971 19.116 5 1HB MET 1 1HB MET 1 62.048 -16.606 19.207 6 2HB MET 1 2HB MET 1 61.621 -14.932 18.851 7 1HG MET 1 1HG MET 1 61.346 -14.735 21.096 8 2HG MET 1 2HG MET 1 59.813 -15.563 20.821 9 1HE MET 1 1HE MET 1 62.504 -15.113 22.692 10 2HE MET 1 2HE MET 1 62.813 -16.561 23.646 11 3HE MET 1 3HE MET 1 63.701 -16.283 22.141 12 H ASP 2 H ASP 2 57.545 -15.866 18.736 13 HA ASP 2 HA ASP 2 56.101 -14.097 18.127 14 1HB ASP 2 1HB ASP 2 58.328 -13.017 19.228 15 2HB ASP 2 2HB ASP 2 58.415 -12.301 17.619 16 H ASP 3 H ASP 3 55.458 -15.014 16.099 17 HA ASP 3 HA ASP 3 57.056 -14.197 13.705 18 1HB ASP 3 1HB ASP 3 55.775 -16.020 12.614 19 2HB ASP 3 2HB ASP 3 56.602 -16.601 14.059 20 H ILE 4 H ILE 4 55.931 -11.972 14.311 21 HA ILE 4 HA ILE 4 53.097 -11.800 13.509 22 HB ILE 4 HB ILE 4 55.160 -9.700 14.256 23 1HG1 ILE 4 1HG1 ILE 4 53.074 -11.156 15.916 24 2HG1 ILE 4 2HG1 ILE 4 54.824 -11.329 16.059 25 1HG2 ILE 4 1HG2 ILE 4 52.315 -9.614 13.482 26 2HG2 ILE 4 2HG2 ILE 4 52.689 -8.748 14.972 27 3HG2 ILE 4 3HG2 ILE 4 53.523 -8.329 13.474 28 1HD1 ILE 4 1HD1 ILE 4 54.165 -8.541 16.195 29 2HD1 ILE 4 2HD1 ILE 4 53.154 -9.418 17.343 30 3HD1 ILE 4 3HD1 ILE 4 54.910 -9.552 17.433 31 H TYR 5 H TYR 5 56.202 -10.401 12.372 32 HA TYR 5 HA TYR 5 54.966 -9.481 9.868 33 1HB TYR 5 1HB TYR 5 57.881 -9.597 10.692 34 2HB TYR 5 2HB TYR 5 57.155 -8.527 9.493 35 HD1 TYR 5 HD1 TYR 5 55.288 -6.922 10.312 36 HD2 TYR 5 HD2 TYR 5 58.040 -8.922 12.936 37 HE1 TYR 5 HE1 TYR 5 54.799 -5.263 12.091 38 HE2 TYR 5 HE2 TYR 5 57.550 -7.264 14.714 39 HH TYR 5 HH TYR 5 55.059 -4.779 14.274 40 H LYS 6 H LYS 6 57.695 -11.696 10.617 41 HA LYS 6 HA LYS 6 58.210 -12.787 8.133 42 1HB LYS 6 1HB LYS 6 58.021 -14.010 10.892 43 2HB LYS 6 2HB LYS 6 58.624 -14.931 9.513 44 1HG LYS 6 1HG LYS 6 60.290 -13.093 9.100 45 2HG LYS 6 2HG LYS 6 59.761 -12.346 10.608 46 1HD LYS 6 1HD LYS 6 61.204 -13.672 11.714 47 2HD LYS 6 2HD LYS 6 60.242 -15.064 11.213 48 1HE LYS 6 1HE LYS 6 62.478 -15.488 10.430 49 2HE LYS 6 2HE LYS 6 61.560 -14.976 8.999 50 1HZ LYS 6 1HZ LYS 6 62.278 -12.694 9.414 51 2HZ LYS 6 2HZ LYS 6 63.203 -13.213 10.742 52 3HZ LYS 6 3HZ LYS 6 63.614 -13.717 9.174 53 H ALA 7 H ALA 7 55.375 -13.389 10.150 54 HA ALA 7 HA ALA 7 54.399 -15.651 8.604 55 1HB ALA 7 1HB ALA 7 53.940 -14.717 11.059 56 2HB ALA 7 2HB ALA 7 52.630 -13.870 10.236 57 3HB ALA 7 3HB ALA 7 52.706 -15.632 10.193 58 H ALA 8 H ALA 8 53.060 -12.339 8.972 59 HA ALA 8 HA ALA 8 51.186 -12.393 6.900 60 1HB ALA 8 1HB ALA 8 52.879 -10.346 8.260 61 2HB ALA 8 2HB ALA 8 52.032 -9.840 6.797 62 3HB ALA 8 3HB ALA 8 51.121 -10.468 8.170 63 H VAL 9 H VAL 9 54.677 -11.679 6.660 64 HA VAL 9 HA VAL 9 54.778 -10.917 3.930 65 HB VAL 9 HB VAL 9 56.812 -12.554 5.473 66 1HG1 VAL 9 1HG1 VAL 9 56.959 -10.552 3.209 67 2HG1 VAL 9 2HG1 VAL 9 58.372 -11.018 4.155 68 3HG1 VAL 9 3HG1 VAL 9 57.506 -12.229 3.208 69 1HG2 VAL 9 1HG2 VAL 9 55.618 -10.113 6.245 70 2HG2 VAL 9 2HG2 VAL 9 57.073 -10.846 6.921 71 3HG2 VAL 9 3HG2 VAL 9 57.201 -9.690 5.595 72 H GLU 10 H GLU 10 55.329 -14.169 5.342 73 HA GLU 10 HA GLU 10 55.638 -15.601 2.922 74 1HB GLU 10 1HB GLU 10 54.415 -16.393 5.585 75 2HB GLU 10 2HB GLU 10 54.970 -17.533 4.359 76 1HG GLU 10 1HG GLU 10 56.832 -15.398 5.365 77 2HG GLU 10 2HG GLU 10 56.592 -16.869 6.308 78 H GLN 11 H GLN 11 52.658 -14.800 4.720 79 HA GLN 11 HA GLN 11 50.976 -16.183 2.726 80 1HB GLN 11 1HB GLN 11 50.432 -14.537 5.213 81 2HB GLN 11 2HB GLN 11 49.177 -15.350 4.276 82 1HG GLN 11 1HG GLN 11 50.525 -17.501 4.604 83 2HG GLN 11 2HG GLN 11 51.459 -16.612 5.808 84 1HE2 GLN 11 2HE2 GLN 11 50.304 -15.858 7.758 85 2HE2 GLN 11 1HE2 GLN 11 48.825 -16.560 8.210 86 H LEU 12 H LEU 12 52.599 -13.755 1.924 87 HA LEU 12 HA LEU 12 50.799 -11.510 1.661 88 1HB LEU 12 1HB LEU 12 53.443 -12.412 0.594 89 2HB LEU 12 2HB LEU 12 52.629 -11.097 -0.256 90 HG LEU 12 HG LEU 12 53.083 -11.110 2.739 91 1HD1 LEU 12 1HD1 LEU 12 54.730 -9.908 0.496 92 2HD1 LEU 12 2HD1 LEU 12 54.881 -9.419 2.184 93 3HD1 LEU 12 3HD1 LEU 12 55.264 -11.072 1.708 94 1HD2 LEU 12 1HD2 LEU 12 52.073 -9.125 0.704 95 2HD2 LEU 12 2HD2 LEU 12 51.339 -9.603 2.235 96 3HD2 LEU 12 3HD2 LEU 12 52.773 -8.576 2.226 97 H THR 13 H THR 13 49.825 -10.769 -0.380 98 HA THR 13 HA THR 13 48.725 -13.016 -1.964 99 HB THR 13 HB THR 13 47.635 -10.662 -2.899 100 HG1 THR 13 HG1 THR 13 47.453 -9.303 -1.164 101 1HG2 THR 13 1HG2 THR 13 46.899 -12.451 -0.581 102 2HG2 THR 13 2HG2 THR 13 45.849 -11.139 -1.116 103 3HG2 THR 13 3HG2 THR 13 46.242 -12.458 -2.217 104 H GLU 14 H GLU 14 48.642 -12.769 -4.378 105 HA GLU 14 HA GLU 14 51.247 -12.273 -5.502 106 1HB GLU 14 1HB GLU 14 48.566 -13.170 -6.316 107 2HB GLU 14 2HB GLU 14 49.442 -12.327 -7.595 108 1HG GLU 14 1HG GLU 14 51.165 -13.895 -7.637 109 2HG GLU 14 2HG GLU 14 50.863 -14.422 -5.981 110 H GLU 15 H GLU 15 48.170 -10.666 -6.396 111 HA GLU 15 HA GLU 15 49.249 -8.460 -7.747 112 1HB GLU 15 1HB GLU 15 46.762 -9.170 -6.306 113 2HB GLU 15 2HB GLU 15 47.023 -7.439 -6.526 114 1HG GLU 15 1HG GLU 15 46.045 -7.836 -8.555 115 2HG GLU 15 2HG GLU 15 47.680 -8.326 -9.001 116 H GLN 16 H GLN 16 49.149 -9.102 -4.311 117 HA GLN 16 HA GLN 16 49.640 -6.365 -3.444 118 1HB GLN 16 1HB GLN 16 48.596 -7.906 -1.939 119 2HB GLN 16 2HB GLN 16 49.843 -9.123 -2.213 120 1HG GLN 16 1HG GLN 16 51.293 -8.153 -0.745 121 2HG GLN 16 2HG GLN 16 50.831 -6.518 -1.218 122 1HE2 GLN 16 1HE2 GLN 16 49.088 -5.493 -0.057 123 2HE2 GLN 16 2HE2 GLN 16 48.391 -6.182 1.329 124 H LYS 17 H LYS 17 51.672 -9.260 -3.955 125 HA LYS 17 HA LYS 17 54.136 -7.895 -3.202 126 1HB LYS 17 1HB LYS 17 54.277 -10.176 -2.865 127 2HB LYS 17 2HB LYS 17 53.212 -10.543 -4.219 128 1HG LYS 17 1HG LYS 17 55.809 -9.339 -4.967 129 2HG LYS 17 2HG LYS 17 55.906 -10.951 -4.256 130 1HD LYS 17 1HD LYS 17 54.423 -11.864 -5.904 131 2HD LYS 17 2HD LYS 17 53.996 -10.259 -6.498 132 1HE LYS 17 1HE LYS 17 55.718 -10.349 -7.965 133 2HE LYS 17 2HE LYS 17 56.857 -10.545 -6.618 134 1HZ LYS 17 1HZ LYS 17 56.043 -12.927 -6.538 135 2HZ LYS 17 2HZ LYS 17 55.356 -12.649 -8.066 136 3HZ LYS 17 3HZ LYS 17 57.036 -12.520 -7.850 137 H ASN 18 H ASN 18 52.328 -8.450 -6.170 138 HA ASN 18 HA ASN 18 54.438 -7.776 -8.028 139 1HB ASN 18 1HB ASN 18 51.476 -8.128 -7.997 140 2HB ASN 18 2HB ASN 18 52.152 -7.220 -9.352 141 1HD2 ASN 18 2HD2 ASN 18 50.958 -9.893 -9.562 142 2HD2 ASN 18 1HD2 ASN 18 52.185 -10.941 -10.090 143 H GLU 19 H GLU 19 51.930 -5.903 -6.345 144 HA GLU 19 HA GLU 19 52.256 -3.421 -7.712 145 1HB GLU 19 1HB GLU 19 50.702 -4.472 -5.706 146 2HB GLU 19 2HB GLU 19 51.720 -3.346 -4.808 147 1HG GLU 19 1HG GLU 19 51.093 -1.785 -6.921 148 2HG GLU 19 2HG GLU 19 49.648 -2.795 -6.865 149 H PHE 20 H PHE 20 53.859 -4.702 -4.783 150 HA PHE 20 HA PHE 20 55.469 -2.426 -4.198 151 1HB PHE 20 1HB PHE 20 56.061 -5.381 -3.814 152 2HB PHE 20 2HB PHE 20 56.766 -4.051 -2.894 153 HD1 PHE 20 HD1 PHE 20 54.280 -2.323 -2.684 154 HD2 PHE 20 HD2 PHE 20 54.899 -6.528 -2.062 155 HE1 PHE 20 HE1 PHE 20 52.353 -2.376 -1.124 156 HE2 PHE 20 HE2 PHE 20 52.973 -6.581 -0.502 157 HZ PHE 20 HZ PHE 20 51.699 -4.505 -0.032 158 H LYS 21 H LYS 21 56.128 -5.266 -6.270 159 HA LYS 21 HA LYS 21 58.780 -4.950 -6.959 160 1HB LYS 21 1HB LYS 21 56.284 -5.776 -8.349 161 2HB LYS 21 2HB LYS 21 57.684 -5.480 -9.381 162 1HG LYS 21 1HG LYS 21 58.574 -6.954 -7.102 163 2HG LYS 21 2HG LYS 21 57.150 -7.767 -7.753 164 1HD LYS 21 1HD LYS 21 58.291 -7.443 -10.065 165 2HD LYS 21 2HD LYS 21 59.759 -7.155 -9.132 166 1HE LYS 21 1HE LYS 21 58.564 -9.457 -7.995 167 2HE LYS 21 2HE LYS 21 58.506 -9.681 -9.754 168 1HZ LYS 21 1HZ LYS 21 60.927 -8.523 -8.582 169 2HZ LYS 21 2HZ LYS 21 60.687 -10.196 -8.406 170 3HZ LYS 21 3HZ LYS 21 60.755 -9.509 -9.955 171 H ALA 22 H ALA 22 56.060 -2.980 -8.130 172 HA ALA 22 HA ALA 22 57.517 -1.443 -10.059 173 1HB ALA 22 1HB ALA 22 54.965 -1.726 -9.502 174 2HB ALA 22 2HB ALA 22 55.240 -0.370 -8.407 175 3HB ALA 22 3HB ALA 22 55.537 -0.182 -10.135 176 H ALA 23 H ALA 23 56.724 -0.733 -6.628 177 HA ALA 23 HA ALA 23 58.004 1.789 -6.463 178 1HB ALA 23 1HB ALA 23 56.909 -0.258 -4.730 179 2HB ALA 23 2HB ALA 23 58.357 0.446 -4.008 180 3HB ALA 23 3HB ALA 23 57.005 1.485 -4.463 181 H PHE 24 H PHE 24 59.359 -1.453 -5.692 182 HA PHE 24 HA PHE 24 61.947 -0.790 -4.929 183 1HB PHE 24 1HB PHE 24 60.898 -2.958 -6.772 184 2HB PHE 24 2HB PHE 24 62.550 -2.948 -6.155 185 HD1 PHE 24 HD1 PHE 24 62.865 -2.806 -3.592 186 HD2 PHE 24 HD2 PHE 24 59.154 -3.841 -5.484 187 HE1 PHE 24 HE1 PHE 24 62.078 -3.839 -1.478 188 HE2 PHE 24 HE2 PHE 24 58.365 -4.876 -3.371 189 HZ PHE 24 HZ PHE 24 59.827 -4.875 -1.367 190 H ASP 25 H ASP 25 60.928 -1.384 -8.310 191 HA ASP 25 HA ASP 25 63.225 -0.685 -9.702 192 1HB ASP 25 1HB ASP 25 60.334 -0.703 -10.120 193 2HB ASP 25 2HB ASP 25 61.127 0.531 -11.101 194 H ILE 26 H ILE 26 60.710 1.595 -8.550 195 HA ILE 26 HA ILE 26 62.230 3.950 -9.359 196 HB ILE 26 HB ILE 26 59.804 3.447 -7.611 197 1HG1 ILE 26 1HG1 ILE 26 58.899 4.810 -9.734 198 2HG1 ILE 26 2HG1 ILE 26 60.313 4.072 -10.486 199 1HG2 ILE 26 1HG2 ILE 26 61.148 5.568 -7.068 200 2HG2 ILE 26 2HG2 ILE 26 60.704 6.128 -8.680 201 3HG2 ILE 26 3HG2 ILE 26 59.450 5.797 -7.484 202 1HD1 ILE 26 1HD1 ILE 26 58.328 2.465 -8.873 203 2HD1 ILE 26 2HD1 ILE 26 58.141 2.722 -10.608 204 3HD1 ILE 26 3HD1 ILE 26 59.556 1.870 -9.991 205 H PHE 27 H PHE 27 61.916 2.009 -6.445 206 HA PHE 27 HA PHE 27 63.173 3.949 -4.664 207 1HB PHE 27 1HB PHE 27 61.988 1.268 -4.618 208 2HB PHE 27 2HB PHE 27 63.377 1.414 -3.542 209 HD1 PHE 27 HD1 PHE 27 61.375 4.369 -4.394 210 HD2 PHE 27 HD2 PHE 27 61.959 1.216 -1.537 211 HE1 PHE 27 HE1 PHE 27 59.980 5.599 -2.752 212 HE2 PHE 27 HE2 PHE 27 60.565 2.444 0.105 213 HZ PHE 27 HZ PHE 27 59.575 4.635 -0.503 214 H VAL 28 H VAL 28 64.280 1.392 -6.796 215 HA VAL 28 HA VAL 28 67.060 1.719 -5.720 216 HB VAL 28 HB VAL 28 67.410 -0.539 -6.558 217 1HG1 VAL 28 1HG1 VAL 28 65.901 0.039 -4.426 218 2HG1 VAL 28 2HG1 VAL 28 64.677 -0.796 -5.384 219 3HG1 VAL 28 3HG1 VAL 28 66.170 -1.625 -4.945 220 1HG2 VAL 28 1HG2 VAL 28 65.368 0.165 -8.360 221 2HG2 VAL 28 2HG2 VAL 28 66.195 -1.389 -8.260 222 3HG2 VAL 28 3HG2 VAL 28 64.690 -1.135 -7.378 223 H LEU 29 H LEU 29 65.235 2.980 -8.098 224 HA LEU 29 HA LEU 29 66.386 2.500 -10.588 225 1HB LEU 29 1HB LEU 29 64.734 4.394 -9.377 226 2HB LEU 29 2HB LEU 29 66.072 5.349 -10.014 227 HG LEU 29 HG LEU 29 64.716 3.247 -11.700 228 1HD1 LEU 29 1HD1 LEU 29 63.713 5.901 -10.872 229 2HD1 LEU 29 2HD1 LEU 29 63.692 5.610 -12.611 230 3HD1 LEU 29 3HD1 LEU 29 62.833 4.518 -11.523 231 1HD2 LEU 29 1HD2 LEU 29 66.927 5.000 -12.013 232 2HD2 LEU 29 2HD2 LEU 29 66.200 3.960 -13.238 233 3HD2 LEU 29 3HD2 LEU 29 65.640 5.621 -13.046 234 H GLY 30 H GLY 30 68.616 2.115 -10.674 235 1HA GLY 30 1HA GLY 30 70.676 3.426 -11.264 236 2HA GLY 30 2HA GLY 30 70.368 4.385 -9.815 237 H ALA 31 H ALA 31 69.511 1.886 -8.356 238 HA ALA 31 HA ALA 31 71.972 1.254 -7.072 239 1HB ALA 31 1HB ALA 31 69.599 0.973 -6.240 240 2HB ALA 31 2HB ALA 31 69.466 -0.443 -7.281 241 3HB ALA 31 3HB ALA 31 70.629 -0.430 -5.956 242 H GLU 32 H GLU 32 73.133 -0.833 -7.120 243 HA GLU 32 HA GLU 32 73.130 -2.040 -9.861 244 1HB GLU 32 1HB GLU 32 75.115 -0.880 -8.265 245 2HB GLU 32 2HB GLU 32 75.411 -2.614 -8.138 246 1HG GLU 32 1HG GLU 32 75.313 -2.765 -10.634 247 2HG GLU 32 2HG GLU 32 75.170 -1.008 -10.698 248 H ASP 33 H ASP 33 72.255 -2.676 -6.644 249 HA ASP 33 HA ASP 33 72.341 -5.630 -7.171 250 1HB ASP 33 1HB ASP 33 73.971 -4.517 -5.450 251 2HB ASP 33 2HB ASP 33 72.537 -4.393 -4.431 252 H GLY 34 H GLY 34 70.139 -3.778 -7.716 253 1HA GLY 34 1HA GLY 34 67.867 -3.427 -7.181 254 2HA GLY 34 2HA GLY 34 67.910 -5.158 -6.847 255 H CYS 35 H CYS 35 69.392 -2.383 -5.148 256 HA CYS 35 HA CYS 35 67.856 -3.201 -2.704 257 1HB CYS 35 1HB CYS 35 70.786 -2.599 -3.131 258 2HB CYS 35 2HB CYS 35 70.055 -2.513 -1.529 259 HG CYS 35 HG CYS 35 69.729 -5.018 -1.511 260 H ILE 36 H ILE 36 68.753 -1.185 -1.019 261 HA ILE 36 HA ILE 36 68.153 1.366 -2.466 262 HB ILE 36 HB ILE 36 66.881 0.337 0.092 263 1HG1 ILE 36 1HG1 ILE 36 65.575 0.855 -2.591 264 2HG1 ILE 36 2HG1 ILE 36 66.182 -0.733 -2.122 265 1HG2 ILE 36 1HG2 ILE 36 67.202 2.982 -0.936 266 2HG2 ILE 36 2HG2 ILE 36 65.505 2.537 -1.117 267 3HG2 ILE 36 3HG2 ILE 36 66.270 2.468 0.471 268 1HD1 ILE 36 1HD1 ILE 36 64.537 0.498 -0.039 269 2HD1 ILE 36 2HD1 ILE 36 63.655 0.260 -1.548 270 3HD1 ILE 36 3HD1 ILE 36 64.425 -1.111 -0.750 271 H SER 37 H SER 37 68.996 3.245 -1.390 272 HA SER 37 HA SER 37 70.605 2.901 1.074 273 1HB SER 37 1HB SER 37 71.623 3.247 -1.715 274 2HB SER 37 2HB SER 37 72.504 4.016 -0.400 275 HG SER 37 HG SER 37 72.110 1.313 -0.978 276 H THR 38 H THR 38 68.281 4.455 0.276 277 HA THR 38 HA THR 38 67.446 6.625 0.710 278 HB THR 38 HB THR 38 68.749 8.022 2.032 279 HG1 THR 38 HG1 THR 38 71.220 7.660 1.680 280 1HG2 THR 38 1HG2 THR 38 68.970 5.371 2.589 281 2HG2 THR 38 2HG2 THR 38 70.672 5.820 2.477 282 3HG2 THR 38 3HG2 THR 38 69.615 6.646 3.623 283 H LYS 39 H LYS 39 70.657 6.847 -0.894 284 HA LYS 39 HA LYS 39 70.239 9.063 -2.526 285 1HB LYS 39 1HB LYS 39 71.664 6.433 -2.827 286 2HB LYS 39 2HB LYS 39 71.638 7.550 -4.192 287 1HG LYS 39 1HG LYS 39 72.232 9.074 -1.861 288 2HG LYS 39 2HG LYS 39 73.280 7.656 -1.844 289 1HD LYS 39 1HD LYS 39 73.188 8.616 -4.525 290 2HD LYS 39 2HD LYS 39 73.498 10.000 -3.476 291 1HE LYS 39 1HE LYS 39 75.397 8.850 -2.445 292 2HE LYS 39 2HE LYS 39 75.056 7.390 -3.396 293 1HZ LYS 39 1HZ LYS 39 75.111 9.026 -5.375 294 2HZ LYS 39 2HZ LYS 39 75.997 10.025 -4.324 295 3HZ LYS 39 3HZ LYS 39 76.583 8.483 -4.720 296 H GLU 40 H GLU 40 68.950 5.790 -2.895 297 HA GLU 40 HA GLU 40 67.599 6.502 -5.444 298 1HB GLU 40 1HB GLU 40 67.509 3.937 -3.825 299 2HB GLU 40 2HB GLU 40 67.151 4.131 -5.540 300 1HG GLU 40 1HG GLU 40 69.867 4.820 -4.417 301 2HG GLU 40 2HG GLU 40 69.466 3.177 -4.916 302 H LEU 41 H LEU 41 66.927 5.825 -2.048 303 HA LEU 41 HA LEU 41 64.047 5.693 -2.270 304 1HB LEU 41 1HB LEU 41 65.749 4.904 -0.444 305 2HB LEU 41 2HB LEU 41 65.598 6.552 0.168 306 HG LEU 41 HG LEU 41 63.972 5.168 1.315 307 1HD1 LEU 41 1HD1 LEU 41 63.364 7.504 0.397 308 2HD1 LEU 41 2HD1 LEU 41 62.409 6.638 -0.807 309 3HD1 LEU 41 3HD1 LEU 41 62.034 6.464 0.909 310 1HD2 LEU 41 1HD2 LEU 41 63.962 3.607 -0.883 311 2HD2 LEU 41 2HD2 LEU 41 62.646 3.588 0.291 312 3HD2 LEU 41 3HD2 LEU 41 62.491 4.531 -1.192 313 H GLY 42 H GLY 42 66.246 8.277 -1.096 314 1HA GLY 42 1HA GLY 42 64.353 10.256 -0.547 315 2HA GLY 42 2HA GLY 42 65.975 10.612 -1.143 316 H LYS 43 H LYS 43 65.776 9.414 -3.704 317 HA LYS 43 HA LYS 43 64.832 11.440 -5.350 318 1HB LYS 43 1HB LYS 43 64.939 8.435 -5.710 319 2HB LYS 43 2HB LYS 43 64.611 9.540 -7.044 320 1HG LYS 43 1HG LYS 43 66.955 10.243 -5.381 321 2HG LYS 43 2HG LYS 43 67.116 8.756 -6.317 322 1HD LYS 43 1HD LYS 43 67.504 9.970 -8.160 323 2HD LYS 43 2HD LYS 43 65.904 10.695 -8.010 324 1HE LYS 43 1HE LYS 43 67.525 12.504 -7.998 325 2HE LYS 43 2HE LYS 43 66.930 12.327 -6.335 326 1HZ LYS 43 1HZ LYS 43 68.860 10.538 -6.298 327 2HZ LYS 43 2HZ LYS 43 69.517 11.581 -7.468 328 3HZ LYS 43 3HZ LYS 43 69.143 12.167 -5.918 329 H VAL 44 H VAL 44 62.939 8.852 -3.849 330 HA VAL 44 HA VAL 44 60.509 9.471 -5.371 331 HB VAL 44 HB VAL 44 61.276 7.694 -3.051 332 1HG1 VAL 44 1HG1 VAL 44 58.603 8.619 -3.860 333 2HG1 VAL 44 2HG1 VAL 44 58.762 6.863 -3.824 334 3HG1 VAL 44 3HG1 VAL 44 59.112 7.811 -2.377 335 1HG2 VAL 44 1HG2 VAL 44 61.152 7.476 -5.926 336 2HG2 VAL 44 2HG2 VAL 44 61.744 6.296 -4.757 337 3HG2 VAL 44 3HG2 VAL 44 60.037 6.321 -5.198 338 H MET 45 H MET 45 61.892 10.348 -2.243 339 HA MET 45 HA MET 45 59.593 11.307 -0.901 340 1HB MET 45 1HB MET 45 62.530 11.868 -0.920 341 2HB MET 45 2HB MET 45 61.491 12.973 -0.020 342 1HG MET 45 1HG MET 45 62.312 11.117 1.408 343 2HG MET 45 2HG MET 45 60.556 11.096 1.252 344 1HE MET 45 1HE MET 45 59.241 9.677 0.464 345 2HE MET 45 2HE MET 45 59.558 9.373 -1.250 346 3HE MET 45 3HE MET 45 59.531 8.034 -0.104 347 H ARG 46 H ARG 46 61.813 13.115 -3.065 348 HA ARG 46 HA ARG 46 60.438 15.607 -2.953 349 1HB ARG 46 1HB ARG 46 61.685 15.992 -5.102 350 2HB ARG 46 2HB ARG 46 62.698 15.337 -3.816 351 1HG ARG 46 1HG ARG 46 61.743 13.043 -4.969 352 2HG ARG 46 2HG ARG 46 61.876 14.109 -6.368 353 1HD ARG 46 1HD ARG 46 64.088 13.454 -4.388 354 2HD ARG 46 2HD ARG 46 64.012 12.971 -6.094 355 HE ARG 46 HE ARG 46 64.610 15.674 -5.097 356 1HH1 ARG 46 1HH1 ARG 46 63.401 13.735 -7.684 357 2HH1 ARG 46 2HH1 ARG 46 63.920 14.831 -8.920 358 1HH2 ARG 46 1HH2 ARG 46 65.364 17.072 -6.704 359 2HH2 ARG 46 2HH2 ARG 46 65.030 16.718 -8.366 360 H MET 47 H MET 47 59.764 12.677 -4.762 361 HA MET 47 HA MET 47 57.914 13.971 -6.628 362 1HB MET 47 1HB MET 47 58.986 11.270 -6.002 363 2HB MET 47 2HB MET 47 57.402 11.313 -6.778 364 1HG MET 47 1HG MET 47 58.222 12.340 -8.704 365 2HG MET 47 2HG MET 47 59.621 13.015 -7.870 366 1HE MET 47 1HE MET 47 57.803 9.713 -8.324 367 2HE MET 47 2HE MET 47 59.075 8.498 -8.433 368 3HE MET 47 3HE MET 47 58.783 9.345 -6.907 369 H LEU 48 H LEU 48 57.670 12.065 -3.634 370 HA LEU 48 HA LEU 48 54.786 11.846 -3.665 371 1HB LEU 48 1HB LEU 48 56.922 11.616 -1.527 372 2HB LEU 48 2HB LEU 48 55.226 11.216 -1.245 373 HG LEU 48 HG LEU 48 56.906 9.978 -3.443 374 1HD1 LEU 48 1HD1 LEU 48 57.570 9.481 -0.986 375 2HD1 LEU 48 2HD1 LEU 48 56.040 8.607 -0.901 376 3HD1 LEU 48 3HD1 LEU 48 57.278 8.108 -2.054 377 1HD2 LEU 48 1HD2 LEU 48 54.449 10.009 -3.808 378 2HD2 LEU 48 2HD2 LEU 48 55.047 8.368 -3.558 379 3HD2 LEU 48 3HD2 LEU 48 54.220 9.216 -2.251 380 H GLY 49 H GLY 49 56.794 14.524 -3.158 381 1HA GLY 49 1HA GLY 49 55.837 16.731 -2.795 382 2HA GLY 49 2HA GLY 49 54.535 15.977 -1.875 383 H GLN 50 H GLN 50 57.870 15.043 -1.371 384 HA GLN 50 HA GLN 50 58.047 16.734 1.074 385 1HB GLN 50 1HB GLN 50 57.691 13.779 0.876 386 2HB GLN 50 2HB GLN 50 58.820 14.365 2.099 387 1HG GLN 50 1HG GLN 50 56.515 16.033 2.211 388 2HG GLN 50 2HG GLN 50 55.952 14.361 2.184 389 1HE2 GLN 50 2HE2 GLN 50 55.803 16.075 4.538 390 2HE2 GLN 50 1HE2 GLN 50 56.803 15.388 5.726 391 H ASN 51 H ASN 51 60.332 15.864 2.176 392 HA ASN 51 HA ASN 51 62.395 14.991 0.370 393 1HB ASN 51 1HB ASN 51 63.456 17.293 0.137 394 2HB ASN 51 2HB ASN 51 61.957 17.069 -0.765 395 1HD2 ASN 51 2HD2 ASN 51 63.493 18.985 1.665 396 2HD2 ASN 51 1HD2 ASN 51 62.126 19.878 2.132 397 HA PRO 52 HA PRO 52 63.485 15.149 4.829 398 1HB PRO 52 1HB PRO 52 64.408 12.577 4.952 399 2HB PRO 52 2HB PRO 52 62.696 12.998 5.159 400 1HG PRO 52 1HG PRO 52 64.095 11.880 2.789 401 2HG PRO 52 2HG PRO 52 62.464 11.556 3.398 402 1HD PRO 52 1HD PRO 52 63.024 13.197 1.268 403 2HD PRO 52 2HD PRO 52 61.559 13.314 2.267 404 H THR 53 H THR 53 65.689 14.950 5.776 405 HA THR 53 HA THR 53 67.773 15.677 3.841 406 HB THR 53 HB THR 53 68.998 15.581 6.244 407 HG1 THR 53 HG1 THR 53 67.332 16.122 7.784 408 1HG2 THR 53 1HG2 THR 53 66.973 17.635 5.319 409 2HG2 THR 53 2HG2 THR 53 68.148 17.908 6.606 410 3HG2 THR 53 3HG2 THR 53 68.699 17.617 4.957 411 HA PRO 54 HA PRO 54 69.900 11.845 3.571 412 1HB PRO 54 1HB PRO 54 72.506 12.479 4.149 413 2HB PRO 54 2HB PRO 54 71.712 12.927 2.625 414 1HG PRO 54 1HG PRO 54 72.185 14.576 5.066 415 2HG PRO 54 2HG PRO 54 72.348 15.018 3.358 416 1HD PRO 54 1HD PRO 54 70.202 15.731 4.836 417 2HD PRO 54 2HD PRO 54 70.087 15.380 3.096 418 H GLU 55 H GLU 55 70.463 13.683 6.539 419 HA GLU 55 HA GLU 55 71.577 11.519 8.092 420 1HB GLU 55 1HB GLU 55 70.291 14.191 8.587 421 2HB GLU 55 2HB GLU 55 70.608 13.123 9.955 422 1HG GLU 55 1HG GLU 55 72.708 13.895 7.914 423 2HG GLU 55 2HG GLU 55 72.483 14.735 9.449 424 H GLU 56 H GLU 56 68.279 12.653 7.451 425 HA GLU 56 HA GLU 56 67.104 10.706 9.337 426 1HB GLU 56 1HB GLU 56 66.005 12.753 7.386 427 2HB GLU 56 2HB GLU 56 64.989 11.767 8.437 428 1HG GLU 56 1HG GLU 56 67.030 12.864 10.074 429 2HG GLU 56 2HG GLU 56 66.411 14.183 9.079 430 H LEU 57 H LEU 57 67.794 11.012 5.923 431 HA LEU 57 HA LEU 57 65.965 9.200 4.767 432 1HB LEU 57 1HB LEU 57 68.367 10.585 4.134 433 2HB LEU 57 2HB LEU 57 68.607 8.905 3.658 434 HG LEU 57 HG LEU 57 66.369 10.756 2.795 435 1HD1 LEU 57 1HD1 LEU 57 68.922 10.037 1.713 436 2HD1 LEU 57 2HD1 LEU 57 67.670 9.361 0.673 437 3HD1 LEU 57 3HD1 LEU 57 67.696 11.092 1.009 438 1HD2 LEU 57 1HD2 LEU 57 66.182 7.991 3.247 439 2HD2 LEU 57 2HD2 LEU 57 65.084 8.971 2.274 440 3HD2 LEU 57 3HD2 LEU 57 66.442 8.146 1.510 441 H GLN 58 H GLN 58 69.309 8.434 5.831 442 HA GLN 58 HA GLN 58 69.328 5.677 5.513 443 1HB GLN 58 1HB GLN 58 70.836 7.654 6.785 444 2HB GLN 58 2HB GLN 58 70.457 6.512 8.075 445 1HG GLN 58 1HG GLN 58 71.203 5.161 5.595 446 2HG GLN 58 2HG GLN 58 72.482 6.220 6.187 447 1HE2 GLN 58 2HE2 GLN 58 71.724 3.085 6.330 448 2HE2 GLN 58 1HE2 GLN 58 72.179 2.707 7.921 449 H GLU 59 H GLU 59 67.558 7.523 7.921 450 HA GLU 59 HA GLU 59 67.058 5.582 9.901 451 1HB GLU 59 1HB GLU 59 66.410 8.022 9.834 452 2HB GLU 59 2HB GLU 59 65.092 7.584 8.747 453 1HG GLU 59 1HG GLU 59 63.924 6.442 10.398 454 2HG GLU 59 2HG GLU 59 65.381 6.093 11.330 455 H MET 60 H MET 60 65.208 6.186 6.892 456 HA MET 60 HA MET 60 63.224 4.201 7.198 457 1HB MET 60 1HB MET 60 64.548 5.716 5.023 458 2HB MET 60 2HB MET 60 63.717 4.246 4.513 459 1HG MET 60 1HG MET 60 61.632 4.998 5.339 460 2HG MET 60 2HG MET 60 62.381 6.245 6.335 461 1HE MET 60 1HE MET 60 61.325 8.050 5.916 462 2HE MET 60 2HE MET 60 62.794 8.838 5.348 463 3HE MET 60 3HE MET 60 61.288 9.052 4.459 464 H ILE 61 H ILE 61 66.566 3.908 6.025 465 HA ILE 61 HA ILE 61 66.340 1.168 5.134 466 HB ILE 61 HB ILE 61 68.586 3.048 5.882 467 1HG1 ILE 61 1HG1 ILE 61 69.017 2.900 3.433 468 2HG1 ILE 61 2HG1 ILE 61 67.627 1.826 3.274 469 1HG2 ILE 61 1HG2 ILE 61 68.659 0.140 5.597 470 2HG2 ILE 61 2HG2 ILE 61 69.715 0.952 4.441 471 3HG2 ILE 61 3HG2 ILE 61 69.913 1.240 6.170 472 1HD1 ILE 61 1HD1 ILE 61 67.410 4.582 4.498 473 2HD1 ILE 61 2HD1 ILE 61 67.192 4.293 2.771 474 3HD1 ILE 61 3HD1 ILE 61 66.103 3.540 3.937 475 H ASP 62 H ASP 62 68.105 2.482 7.973 476 HA ASP 62 HA ASP 62 68.629 0.093 9.315 477 1HB ASP 62 1HB ASP 62 69.435 2.311 9.983 478 2HB ASP 62 2HB ASP 62 67.795 2.799 10.410 479 H GLU 63 H GLU 63 65.592 1.924 9.209 480 HA GLU 63 HA GLU 63 64.109 0.738 11.261 481 1HB GLU 63 1HB GLU 63 63.428 2.566 9.687 482 2HB GLU 63 2HB GLU 63 63.201 1.350 8.429 483 1HG GLU 63 1HG GLU 63 61.131 0.950 9.206 484 2HG GLU 63 2HG GLU 63 61.821 0.441 10.748 485 H VAL 64 H VAL 64 64.804 -0.551 8.017 486 HA VAL 64 HA VAL 64 63.800 -3.217 8.956 487 HB VAL 64 HB VAL 64 63.170 -3.460 6.467 488 1HG1 VAL 64 1HG1 VAL 64 61.815 -2.358 8.678 489 2HG1 VAL 64 2HG1 VAL 64 61.421 -1.314 7.313 490 3HG1 VAL 64 3HG1 VAL 64 61.090 -3.044 7.224 491 1HG2 VAL 64 1HG2 VAL 64 64.570 -1.120 6.214 492 2HG2 VAL 64 2HG2 VAL 64 63.359 -1.676 5.059 493 3HG2 VAL 64 3HG2 VAL 64 62.914 -0.518 6.313 494 H ASP 65 H ASP 65 66.386 -2.933 9.411 495 HA ASP 65 HA ASP 65 67.689 -4.585 7.345 496 1HB ASP 65 1HB ASP 65 67.904 -2.227 6.572 497 2HB ASP 65 2HB ASP 65 68.694 -1.819 8.094 498 H GLU 66 H GLU 66 68.293 -6.166 8.831 499 HA GLU 66 HA GLU 66 69.936 -5.256 11.173 500 1HB GLU 66 1HB GLU 66 68.992 -7.295 12.296 501 2HB GLU 66 2HB GLU 66 67.756 -6.116 11.852 502 1HG GLU 66 1HG GLU 66 68.171 -7.855 9.619 503 2HG GLU 66 2HG GLU 66 67.936 -8.849 11.056 504 H ASP 67 H ASP 67 71.350 -5.654 8.896 505 HA ASP 67 HA ASP 67 72.791 -8.191 9.455 506 1HB ASP 67 1HB ASP 67 72.739 -8.660 6.959 507 2HB ASP 67 2HB ASP 67 71.180 -8.822 7.767 508 H GLY 68 H GLY 68 73.319 -5.258 9.749 509 1HA GLY 68 1HA GLY 68 74.968 -3.670 9.192 510 2HA GLY 68 2HA GLY 68 76.011 -5.092 9.130 511 H SER 69 H SER 69 73.434 -3.698 7.066 512 HA SER 69 HA SER 69 75.230 -4.196 4.713 513 1HB SER 69 1HB SER 69 73.417 -5.121 3.691 514 2HB SER 69 2HB SER 69 72.730 -5.205 5.311 515 HG SER 69 HG SER 69 71.279 -3.893 4.559 516 H GLY 70 H GLY 70 72.811 -1.980 6.114 517 1HA GLY 70 1HA GLY 70 72.891 0.405 6.010 518 2HA GLY 70 2HA GLY 70 74.168 0.285 4.799 519 H THR 71 H THR 71 72.129 -1.867 3.617 520 HA THR 71 HA THR 71 70.446 0.161 2.178 521 HB THR 71 HB THR 71 70.887 -1.105 0.151 522 HG1 THR 71 HG1 THR 71 71.308 -3.132 0.364 523 1HG2 THR 71 1HG2 THR 71 72.748 0.390 1.431 524 2HG2 THR 71 2HG2 THR 71 73.625 -1.134 1.288 525 3HG2 THR 71 3HG2 THR 71 73.012 -0.329 -0.158 526 H VAL 72 H VAL 72 68.582 -1.084 0.985 527 HA VAL 72 HA VAL 72 67.498 -3.176 2.845 528 HB VAL 72 HB VAL 72 66.244 -0.833 1.400 529 1HG1 VAL 72 1HG1 VAL 72 65.075 -3.404 1.846 530 2HG1 VAL 72 2HG1 VAL 72 64.327 -2.264 2.964 531 3HG1 VAL 72 3HG1 VAL 72 64.297 -1.947 1.229 532 1HG2 VAL 72 1HG2 VAL 72 67.298 -0.561 3.680 533 2HG2 VAL 72 2HG2 VAL 72 65.577 -0.175 3.632 534 3HG2 VAL 72 3HG2 VAL 72 66.117 -1.716 4.298 535 H ASP 73 H ASP 73 66.538 -4.983 1.872 536 HA ASP 73 HA ASP 73 66.932 -5.232 -1.084 537 1HB ASP 73 1HB ASP 73 67.945 -6.733 0.858 538 2HB ASP 73 2HB ASP 73 66.366 -7.514 0.777 539 H PHE 74 H PHE 74 65.255 -7.013 -1.947 540 HA PHE 74 HA PHE 74 62.664 -5.849 -1.970 541 1HB PHE 74 1HB PHE 74 63.478 -7.323 -3.715 542 2HB PHE 74 2HB PHE 74 63.680 -8.644 -2.564 543 HD1 PHE 74 HD1 PHE 74 61.088 -6.357 -4.001 544 HD2 PHE 74 HD2 PHE 74 61.919 -10.150 -2.163 545 HE1 PHE 74 HE1 PHE 74 58.742 -7.061 -4.391 546 HE2 PHE 74 HE2 PHE 74 59.574 -10.853 -2.554 547 HZ PHE 74 HZ PHE 74 57.986 -9.309 -3.667 548 H ASP 75 H ASP 75 64.182 -7.831 0.400 549 HA ASP 75 HA ASP 75 61.641 -8.849 1.525 550 1HB ASP 75 1HB ASP 75 64.422 -9.517 1.547 551 2HB ASP 75 2HB ASP 75 63.918 -9.244 3.215 552 H GLU 76 H GLU 76 64.389 -6.899 2.773 553 HA GLU 76 HA GLU 76 63.256 -6.021 5.179 554 1HB GLU 76 1HB GLU 76 65.133 -4.813 3.150 555 2HB GLU 76 2HB GLU 76 64.717 -3.926 4.618 556 1HG GLU 76 1HG GLU 76 65.629 -5.613 6.024 557 2HG GLU 76 2HG GLU 76 65.700 -6.783 4.706 558 H PHE 77 H PHE 77 62.450 -5.091 1.910 559 HA PHE 77 HA PHE 77 61.079 -2.615 2.552 560 1HB PHE 77 1HB PHE 77 62.019 -3.240 0.335 561 2HB PHE 77 2HB PHE 77 60.823 -4.531 0.211 562 HD1 PHE 77 HD1 PHE 77 58.309 -3.765 0.609 563 HD2 PHE 77 HD2 PHE 77 61.510 -1.162 -0.589 564 HE1 PHE 77 HE1 PHE 77 56.658 -2.149 -0.292 565 HE2 PHE 77 HE2 PHE 77 59.858 0.454 -1.488 566 HZ PHE 77 HZ PHE 77 57.433 -0.039 -1.341 567 H LEU 78 H LEU 78 59.932 -5.928 1.796 568 HA LEU 78 HA LEU 78 57.164 -5.525 2.082 569 1HB LEU 78 1HB LEU 78 58.969 -7.853 2.805 570 2HB LEU 78 2HB LEU 78 57.211 -7.976 2.719 571 HG LEU 78 HG LEU 78 58.967 -7.042 0.431 572 1HD1 LEU 78 1HD1 LEU 78 58.972 -9.569 1.329 573 2HD1 LEU 78 2HD1 LEU 78 57.493 -9.635 0.371 574 3HD1 LEU 78 3HD1 LEU 78 59.020 -9.192 -0.393 575 1HD2 LEU 78 1HD2 LEU 78 56.214 -6.752 0.926 576 2HD2 LEU 78 2HD2 LEU 78 57.035 -6.527 -0.618 577 3HD2 LEU 78 3HD2 LEU 78 56.336 -8.094 -0.210 578 H VAL 79 H VAL 79 59.383 -6.713 4.646 579 HA VAL 79 HA VAL 79 57.543 -6.602 6.796 580 HB VAL 79 HB VAL 79 60.547 -6.214 6.626 581 1HG1 VAL 79 1HG1 VAL 79 58.676 -6.152 8.921 582 2HG1 VAL 79 2HG1 VAL 79 60.082 -7.198 9.123 583 3HG1 VAL 79 3HG1 VAL 79 60.301 -5.482 8.774 584 1HG2 VAL 79 1HG2 VAL 79 59.307 -8.397 5.891 585 2HG2 VAL 79 2HG2 VAL 79 60.699 -8.536 6.966 586 3HG2 VAL 79 3HG2 VAL 79 59.064 -8.641 7.621 587 H MET 80 H MET 80 59.137 -4.037 5.085 588 HA MET 80 HA MET 80 58.925 -2.040 7.213 589 1HB MET 80 1HB MET 80 60.576 -2.163 5.257 590 2HB MET 80 2HB MET 80 59.246 -1.624 4.230 591 1HG MET 80 1HG MET 80 59.556 -0.017 6.667 592 2HG MET 80 2HG MET 80 60.964 0.045 5.607 593 1HE MET 80 1HE MET 80 59.953 -0.404 2.807 594 2HE MET 80 2HE MET 80 59.630 1.234 2.243 595 3HE MET 80 3HE MET 80 61.039 0.919 3.253 596 H MET 81 H MET 81 56.667 -3.514 5.190 597 HA MET 81 HA MET 81 54.884 -1.102 5.223 598 1HB MET 81 1HB MET 81 55.079 -3.537 3.430 599 2HB MET 81 2HB MET 81 53.748 -2.384 3.341 600 1HG MET 81 1HG MET 81 56.074 -0.810 3.357 601 2HG MET 81 2HG MET 81 56.435 -2.154 2.273 602 1HE MET 81 1HE MET 81 56.604 0.498 1.617 603 2HE MET 81 2HE MET 81 55.679 0.885 0.161 604 3HE MET 81 3HE MET 81 55.154 1.492 1.728 605 H VAL 82 H VAL 82 55.173 -4.522 6.046 606 HA VAL 82 HA VAL 82 52.411 -4.995 6.718 607 HB VAL 82 HB VAL 82 54.827 -6.288 8.002 608 1HG1 VAL 82 1HG1 VAL 82 51.972 -6.889 7.650 609 2HG1 VAL 82 2HG1 VAL 82 53.029 -8.225 7.197 610 3HG1 VAL 82 3HG1 VAL 82 53.121 -7.541 8.819 611 1HG2 VAL 82 1HG2 VAL 82 53.939 -6.301 5.149 612 2HG2 VAL 82 2HG2 VAL 82 55.563 -6.442 5.819 613 3HG2 VAL 82 3HG2 VAL 82 54.477 -7.831 5.843 614 H ARG 83 H ARG 83 54.950 -3.255 8.266 615 HA ARG 83 HA ARG 83 53.990 -3.482 11.004 616 1HB ARG 83 1HB ARG 83 55.984 -1.900 9.430 617 2HB ARG 83 2HB ARG 83 55.532 -1.300 11.027 618 1HG ARG 83 1HG ARG 83 56.022 -3.611 11.930 619 2HG ARG 83 2HG ARG 83 56.695 -4.013 10.348 620 1HD ARG 83 1HD ARG 83 58.658 -3.120 11.049 621 2HD ARG 83 2HD ARG 83 57.859 -1.535 11.076 622 HE ARG 83 HE ARG 83 57.286 -3.210 13.415 623 1HH1 ARG 83 1HH2 ARG 83 60.305 -2.492 12.943 624 2HH1 ARG 83 2HH2 ARG 83 60.446 -1.131 14.005 625 1HH2 ARG 83 1HH1 ARG 83 57.019 -0.732 14.373 626 2HH2 ARG 83 2HH1 ARG 83 58.584 -0.135 14.816 627 H CYS 84 H CYS 84 53.719 -0.972 8.462 628 HA CYS 84 HA CYS 84 51.827 0.561 10.163 629 1HB CYS 84 1HB CYS 84 53.622 1.004 7.866 630 2HB CYS 84 2HB CYS 84 52.087 1.866 7.751 631 HG CYS 84 HG CYS 84 53.341 3.477 9.216 632 H MET 85 H MET 85 51.162 -2.109 8.819 633 HA MET 85 HA MET 85 49.120 -1.295 6.826 634 1HB MET 85 1HB MET 85 50.616 -3.703 7.629 635 2HB MET 85 2HB MET 85 48.934 -4.018 7.207 636 1HG MET 85 1HG MET 85 49.239 -2.853 5.062 637 2HG MET 85 2HG MET 85 50.917 -2.504 5.482 638 1HE MET 85 1HE MET 85 48.266 -5.014 5.461 639 2HE MET 85 2HE MET 85 48.870 -6.451 4.639 640 3HE MET 85 3HE MET 85 49.222 -6.207 6.348 641 H LYS 86 H LYS 86 49.217 -1.285 10.095 642 HA LYS 86 HA LYS 86 46.750 -2.714 10.744 643 1HB LYS 86 1HB LYS 86 47.152 -1.567 12.949 644 2HB LYS 86 2HB LYS 86 48.558 -2.453 12.357 645 1HG LYS 86 1HG LYS 86 49.766 -0.560 12.428 646 2HG LYS 86 2HG LYS 86 48.678 0.165 11.245 647 1HD LYS 86 1HD LYS 86 47.111 0.521 13.332 648 2HD LYS 86 2HD LYS 86 48.616 0.364 14.240 649 1HE LYS 86 1HE LYS 86 47.982 2.397 12.077 650 2HE LYS 86 2HE LYS 86 48.379 2.712 13.779 651 1HZ LYS 86 1HZ LYS 86 50.519 1.552 13.380 652 2HZ LYS 86 2HZ LYS 86 50.150 1.502 11.723 653 3HZ LYS 86 3HZ LYS 86 50.362 2.995 12.497 654 H ASP 87 H ASP 87 44.736 -1.690 11.329 655 HA ASP 87 HA ASP 87 43.903 0.498 9.689 656 1HB ASP 87 1HB ASP 87 41.853 0.333 11.051 657 2HB ASP 87 2HB ASP 87 42.455 -1.278 10.655 658 H ASP 88 H ASP 88 43.128 2.635 10.497 659 HA ASP 88 HA ASP 88 44.097 3.617 13.080 660 1HB ASP 88 1HB ASP 88 46.021 3.412 11.257 661 2HB ASP 88 2HB ASP 88 45.327 4.928 10.680 662 H SER 89 H SER 89 42.367 4.901 13.612 663 HA SER 89 HA SER 89 41.401 6.869 11.575 664 1HB SER 89 1HB SER 89 39.112 6.184 12.867 665 2HB SER 89 2HB SER 89 39.654 5.396 11.388 666 HG SER 89 HG SER 89 40.076 4.572 14.073 667 1H ARG 1 1H ARG 1 57.357 5.351 6.792 668 2H ARG 1 2H ARG 1 58.410 6.395 7.614 669 3H ARG 1 3H ARG 1 57.187 5.582 8.467 670 HA ARG 1 HA ARG 1 55.587 7.042 7.871 671 1HB ARG 1 1HB ARG 1 57.348 8.354 8.899 672 2HB ARG 1 2HB ARG 1 58.219 8.463 7.370 673 1HG ARG 1 1HG ARG 1 57.082 10.345 6.899 674 2HG ARG 1 2HG ARG 1 55.594 9.396 6.861 675 1HD ARG 1 1HD ARG 1 56.469 9.942 9.601 676 2HD ARG 1 2HD ARG 1 56.150 11.426 8.680 677 HE ARG 1 HE ARG 1 54.168 9.194 8.612 678 1HH1 ARG 1 1HH1 ARG 1 54.328 12.269 7.637 679 2HH1 ARG 1 2HH1 ARG 1 53.050 12.899 8.623 680 1HH2 ARG 1 1HH2 ARG 1 52.834 10.067 10.614 681 2HH2 ARG 1 2HH2 ARG 1 52.206 11.652 10.310 682 H ILE 2 H ILE 2 55.383 5.498 5.751 683 HA ILE 2 HA ILE 2 54.861 7.316 3.532 684 HB ILE 2 HB ILE 2 57.276 7.044 3.304 685 1HG1 ILE 2 1HG1 ILE 2 55.899 5.242 1.289 686 2HG1 ILE 2 2HG1 ILE 2 55.818 7.003 1.247 687 1HG2 ILE 2 1HG2 ILE 2 56.673 4.070 3.319 688 2HG2 ILE 2 2HG2 ILE 2 58.249 4.782 2.976 689 3HG2 ILE 2 3HG2 ILE 2 57.529 4.964 4.576 690 1HD1 ILE 2 1HD1 ILE 2 58.409 6.913 1.317 691 2HD1 ILE 2 2HD1 ILE 2 58.217 5.222 0.852 692 3HD1 ILE 2 3HD1 ILE 2 57.610 6.500 -0.200 693 H SER 3 H SER 3 52.849 6.045 4.426 694 HA SER 3 HA SER 3 52.409 3.295 4.019 695 1HB SER 3 1HB SER 3 50.661 5.752 3.783 696 2HB SER 3 2HB SER 3 50.000 4.124 3.662 697 HG SER 3 HG SER 3 51.712 4.718 5.791 698 H ALA 4 H ALA 4 50.625 2.661 2.181 699 HA ALA 4 HA ALA 4 52.053 2.959 -0.377 700 1HB ALA 4 1HB ALA 4 49.790 1.341 0.756 701 2HB ALA 4 2HB ALA 4 49.995 1.420 -0.994 702 3HB ALA 4 3HB ALA 4 51.291 0.784 0.018 703 H ASP 5 H ASP 5 48.973 3.974 1.066 704 HA ASP 5 HA ASP 5 47.662 4.947 -1.254 705 1HB ASP 5 1HB ASP 5 47.690 5.778 1.659 706 2HB ASP 5 2HB ASP 5 46.561 6.465 0.491 707 H ALA 6 H ALA 6 50.128 6.462 0.812 708 HA ALA 6 HA ALA 6 49.983 9.015 -0.641 709 1HB ALA 6 1HB ALA 6 51.548 7.822 1.635 710 2HB ALA 6 2HB ALA 6 52.077 9.340 0.911 711 3HB ALA 6 3HB ALA 6 50.477 9.223 1.643 712 H MET 7 H MET 7 52.203 6.231 -0.440 713 HA MET 7 HA MET 7 54.308 7.299 -2.048 714 1HB MET 7 1HB MET 7 54.020 5.133 -0.564 715 2HB MET 7 2HB MET 7 53.518 4.401 -2.089 716 1HG MET 7 1HG MET 7 55.704 5.598 -3.000 717 2HG MET 7 2HG MET 7 56.189 5.508 -1.308 718 1HE MET 7 1HE MET 7 57.758 4.584 -3.278 719 2HE MET 7 2HE MET 7 58.201 2.893 -3.062 720 3HE MET 7 3HE MET 7 57.126 3.367 -4.384 721 H MET 8 H MET 8 51.284 5.654 -2.919 722 HA MET 8 HA MET 8 51.979 5.452 -5.757 723 1HB MET 8 1HB MET 8 49.661 4.873 -3.950 724 2HB MET 8 2HB MET 8 49.358 4.970 -5.685 725 1HG MET 8 1HG MET 8 49.870 2.684 -5.286 726 2HG MET 8 2HG MET 8 51.350 3.369 -5.956 727 1HE MET 8 1HE MET 8 53.286 2.318 -5.192 728 2HE MET 8 2HE MET 8 53.471 3.973 -4.615 729 3HE MET 8 3HE MET 8 53.956 2.613 -3.591 730 H GLN 9 H GLN 9 51.026 8.012 -3.786 731 HA GLN 9 HA GLN 9 49.126 9.386 -5.444 732 1HB GLN 9 1HB GLN 9 49.853 9.723 -2.982 733 2HB GLN 9 2HB GLN 9 51.187 10.667 -3.646 734 1HG GLN 9 1HG GLN 9 49.296 11.885 -4.997 735 2HG GLN 9 2HG GLN 9 48.238 11.237 -3.743 736 1HE2 GLN 9 2HE2 GLN 9 50.280 13.850 -4.490 737 2HE2 GLN 9 1HE2 GLN 9 50.477 14.462 -2.919 738 H ALA 10 H ALA 10 52.654 9.941 -5.055 739 HA ALA 10 HA ALA 10 52.700 11.661 -7.440 740 1HB ALA 10 1HB ALA 10 54.804 10.627 -5.520 741 2HB ALA 10 2HB ALA 10 55.119 11.812 -6.786 742 3HB ALA 10 3HB ALA 10 54.015 12.203 -5.466 743 H LEU 11 H LEU 11 54.261 8.559 -6.496 744 HA LEU 11 HA LEU 11 54.726 8.060 -9.414 745 1HB LEU 11 1HB LEU 11 56.427 6.375 -8.346 746 2HB LEU 11 2HB LEU 11 56.813 8.093 -8.346 747 HG LEU 11 HG LEU 11 55.292 6.977 -6.019 748 1HD1 LEU 11 1HD1 LEU 11 57.643 5.754 -6.814 749 2HD1 LEU 11 2HD1 LEU 11 58.212 6.978 -5.680 750 3HD1 LEU 11 3HD1 LEU 11 57.023 5.782 -5.163 751 1HD2 LEU 11 1HD2 LEU 11 56.563 9.420 -6.759 752 2HD2 LEU 11 2HD2 LEU 11 55.734 9.047 -5.249 753 3HD2 LEU 11 3HD2 LEU 11 57.465 8.747 -5.401 754 H LEU 12 H LEU 12 55.005 5.444 -9.620 755 HA LEU 12 HA LEU 12 53.824 3.407 -9.737 756 1HB LEU 12 1HB LEU 12 53.031 4.424 -6.989 757 2HB LEU 12 2HB LEU 12 52.679 2.799 -7.566 758 HG LEU 12 HG LEU 12 54.681 2.472 -6.408 759 1HD1 LEU 12 1HD1 LEU 12 54.775 1.961 -8.991 760 2HD1 LEU 12 2HD1 LEU 12 55.967 3.260 -9.000 761 3HD1 LEU 12 3HD1 LEU 12 56.235 1.824 -8.012 762 1HD2 LEU 12 1HD2 LEU 12 54.898 5.197 -6.507 763 2HD2 LEU 12 2HD2 LEU 12 56.151 4.124 -5.883 764 3HD2 LEU 12 3HD2 LEU 12 56.236 4.706 -7.545 765 H GLY 13 H GLY 13 51.215 4.474 -7.722 766 1HA GLY 13 1HA GLY 13 48.960 4.875 -8.237 767 2HA GLY 13 2HA GLY 13 49.579 5.854 -9.566 768 H ALA 14 H ALA 14 47.245 4.394 -9.929 769 HA ALA 14 HA ALA 14 48.143 2.388 -11.954 770 1HB ALA 14 1HB ALA 14 46.092 2.049 -9.747 771 2HB ALA 14 2HB ALA 14 46.260 0.926 -11.097 772 3HB ALA 14 3HB ALA 14 47.588 1.139 -9.957 773 H ARG 15 H ARG 15 45.122 3.804 -10.619 774 HA ARG 15 HA ARG 15 43.275 4.764 -11.740 775 1HB ARG 15 1HB ARG 15 45.744 5.491 -13.272 776 2HB ARG 15 2HB ARG 15 44.179 5.907 -13.972 777 1HG ARG 15 1HG ARG 15 44.551 7.801 -12.693 778 2HG ARG 15 2HG ARG 15 43.709 6.800 -11.509 779 1HD ARG 15 1HD ARG 15 45.730 6.205 -10.405 780 2HD ARG 15 2HD ARG 15 46.727 6.753 -11.768 781 HE ARG 15 HE ARG 15 45.666 9.080 -11.227 782 1HH1 ARG 15 1HH2 ARG 15 47.841 7.528 -9.417 783 2HH1 ARG 15 2HH2 ARG 15 47.384 8.182 -7.880 784 1HH2 ARG 15 1HH1 ARG 15 44.404 9.525 -9.041 785 2HH2 ARG 15 2HH1 ARG 15 45.436 9.310 -7.666 786 H ALA 16 H ALA 16 42.097 2.865 -12.277 787 HA ALA 16 HA ALA 16 42.340 2.016 -15.129 788 1HB ALA 16 1HB ALA 16 42.468 0.344 -12.618 789 2HB ALA 16 2HB ALA 16 41.963 -0.363 -14.152 790 3HB ALA 16 3HB ALA 16 43.573 0.339 -13.993 791 H LYS 17 H LYS 17 40.415 3.427 -12.979 792 HA LYS 17 HA LYS 17 37.957 1.864 -13.684 793 1HB LYS 17 1HB LYS 17 38.788 2.457 -11.266 794 2HB LYS 17 2HB LYS 17 38.141 4.058 -11.628 795 1HG LYS 17 1HG LYS 17 36.073 3.315 -11.152 796 2HG LYS 17 2HG LYS 17 36.203 2.152 -12.473 797 1HD LYS 17 1HD LYS 17 36.367 0.451 -11.011 798 2HD LYS 17 2HD LYS 17 37.753 1.219 -10.235 799 1HE LYS 17 1HE LYS 17 35.879 0.879 -8.626 800 2HE LYS 17 2HE LYS 17 36.210 2.607 -8.868 801 1HZ LYS 17 1HZ LYS 17 34.283 1.139 -10.565 802 2HZ LYS 17 2HZ LYS 17 33.804 1.857 -9.102 803 3HZ LYS 17 3HZ LYS 17 34.437 2.815 -10.355 Start of MODEL 40 1 1H MET 1 1H MET 1 54.966 -13.198 18.722 2 2H MET 1 2H MET 1 55.755 -12.575 20.088 3 3H MET 1 3H MET 1 54.674 -13.875 20.253 4 HA MET 1 HA MET 1 52.820 -12.565 20.086 5 1HB MET 1 1HB MET 1 54.555 -11.954 21.934 6 2HB MET 1 2HB MET 1 54.816 -10.490 20.985 7 1HG MET 1 1HG MET 1 53.109 -10.105 22.718 8 2HG MET 1 2HG MET 1 52.401 -9.980 21.108 9 1HE MET 1 1HE MET 1 51.162 -11.307 19.992 10 2HE MET 1 2HE MET 1 50.257 -12.741 20.468 11 3HE MET 1 3HE MET 1 49.753 -11.157 21.050 12 H ASP 2 H ASP 2 55.450 -10.324 19.108 13 HA ASP 2 HA ASP 2 53.637 -8.877 17.312 14 1HB ASP 2 1HB ASP 2 55.622 -8.050 18.790 15 2HB ASP 2 2HB ASP 2 56.636 -8.609 17.459 16 H ASP 3 H ASP 3 53.670 -11.487 16.416 17 HA ASP 3 HA ASP 3 55.689 -11.717 14.257 18 1HB ASP 3 1HB ASP 3 54.692 -13.528 15.913 19 2HB ASP 3 2HB ASP 3 53.396 -13.601 14.719 20 H ILE 4 H ILE 4 53.706 -9.557 14.098 21 HA ILE 4 HA ILE 4 51.697 -10.400 12.116 22 HB ILE 4 HB ILE 4 52.545 -7.684 13.179 23 1HG1 ILE 4 1HG1 ILE 4 50.115 -8.310 14.305 24 2HG1 ILE 4 2HG1 ILE 4 50.913 -9.883 14.276 25 1HG2 ILE 4 1HG2 ILE 4 51.185 -7.881 10.977 26 2HG2 ILE 4 2HG2 ILE 4 49.864 -8.421 12.013 27 3HG2 ILE 4 3HG2 ILE 4 50.563 -6.818 12.238 28 1HD1 ILE 4 1HD1 ILE 4 52.828 -7.929 15.116 29 2HD1 ILE 4 2HD1 ILE 4 51.367 -7.719 16.081 30 3HD1 ILE 4 3HD1 ILE 4 52.178 -9.285 16.036 31 H TYR 5 H TYR 5 54.831 -8.764 12.171 32 HA TYR 5 HA TYR 5 54.684 -7.862 9.395 33 1HB TYR 5 1HB TYR 5 57.065 -8.202 11.243 34 2HB TYR 5 2HB TYR 5 56.961 -7.139 9.841 35 HD1 TYR 5 HD1 TYR 5 54.717 -5.582 9.915 36 HD2 TYR 5 HD2 TYR 5 56.809 -7.176 13.312 37 HE1 TYR 5 HE1 TYR 5 53.766 -3.791 11.342 38 HE2 TYR 5 HE2 TYR 5 55.858 -5.384 14.738 39 HH TYR 5 HH TYR 5 54.005 -2.728 13.363 40 H LYS 6 H LYS 6 57.141 -10.015 10.852 41 HA LYS 6 HA LYS 6 58.114 -11.259 8.597 42 1HB LYS 6 1HB LYS 6 57.451 -12.349 11.342 43 2HB LYS 6 2HB LYS 6 58.406 -13.256 10.166 44 1HG LYS 6 1HG LYS 6 60.067 -11.477 10.073 45 2HG LYS 6 2HG LYS 6 59.088 -10.464 11.134 46 1HD LYS 6 1HD LYS 6 59.358 -12.026 12.970 47 2HD LYS 6 2HD LYS 6 60.181 -13.179 11.920 48 1HE LYS 6 1HE LYS 6 61.788 -11.852 13.313 49 2HE LYS 6 2HE LYS 6 62.024 -11.565 11.577 50 1HZ LYS 6 1HZ LYS 6 60.122 -9.924 13.124 51 2HZ LYS 6 2HZ LYS 6 61.774 -9.538 13.126 52 3HZ LYS 6 3HZ LYS 6 60.908 -9.555 11.663 53 H ALA 7 H ALA 7 55.151 -12.215 10.356 54 HA ALA 7 HA ALA 7 54.517 -14.434 8.617 55 1HB ALA 7 1HB ALA 7 53.729 -13.633 11.035 56 2HB ALA 7 2HB ALA 7 52.438 -12.877 10.103 57 3HB ALA 7 3HB ALA 7 52.680 -14.622 10.021 58 H ALA 8 H ALA 8 52.977 -11.208 8.910 59 HA ALA 8 HA ALA 8 51.246 -11.318 6.722 60 1HB ALA 8 1HB ALA 8 52.923 -9.084 7.890 61 2HB ALA 8 2HB ALA 8 51.660 -8.798 6.694 62 3HB ALA 8 3HB ALA 8 51.247 -9.479 8.267 63 H VAL 9 H VAL 9 54.726 -11.139 6.697 64 HA VAL 9 HA VAL 9 54.968 -10.137 3.961 65 HB VAL 9 HB VAL 9 56.930 -11.583 5.771 66 1HG1 VAL 9 1HG1 VAL 9 57.273 -11.085 3.155 67 2HG1 VAL 9 2HG1 VAL 9 57.734 -9.506 3.790 68 3HG1 VAL 9 3HG1 VAL 9 58.595 -10.953 4.315 69 1HG2 VAL 9 1HG2 VAL 9 55.627 -9.180 6.256 70 2HG2 VAL 9 2HG2 VAL 9 57.160 -9.677 6.971 71 3HG2 VAL 9 3HG2 VAL 9 57.148 -8.673 5.521 72 H GLU 10 H GLU 10 55.756 -13.288 5.467 73 HA GLU 10 HA GLU 10 56.131 -14.699 3.009 74 1HB GLU 10 1HB GLU 10 56.338 -15.125 5.769 75 2HB GLU 10 2HB GLU 10 55.150 -16.311 5.227 76 1HG GLU 10 1HG GLU 10 56.727 -17.020 3.430 77 2HG GLU 10 2HG GLU 10 57.928 -15.905 4.083 78 H GLN 11 H GLN 11 53.238 -13.645 4.569 79 HA GLN 11 HA GLN 11 51.575 -15.710 3.218 80 1HB GLN 11 1HB GLN 11 51.011 -13.486 5.202 81 2HB GLN 11 2HB GLN 11 49.782 -14.595 4.591 82 1HG GLN 11 1HG GLN 11 51.459 -16.456 5.366 83 2HG GLN 11 2HG GLN 11 52.131 -15.176 6.375 84 1HE2 GLN 11 2HE2 GLN 11 51.323 -15.700 8.440 85 2HE2 GLN 11 1HE2 GLN 11 49.674 -15.904 8.792 86 H LEU 12 H LEU 12 53.029 -13.177 2.000 87 HA LEU 12 HA LEU 12 50.863 -11.506 1.008 88 1HB LEU 12 1HB LEU 12 53.778 -11.944 0.316 89 2HB LEU 12 2HB LEU 12 52.780 -10.771 -0.544 90 HG LEU 12 HG LEU 12 53.236 -10.810 2.455 91 1HD1 LEU 12 1HD1 LEU 12 54.829 -9.793 0.303 92 2HD1 LEU 12 2HD1 LEU 12 54.144 -8.425 1.179 93 3HD1 LEU 12 3HD1 LEU 12 55.105 -9.630 2.037 94 1HD2 LEU 12 1HD2 LEU 12 51.253 -9.552 0.770 95 2HD2 LEU 12 2HD2 LEU 12 51.410 -9.489 2.526 96 3HD2 LEU 12 3HD2 LEU 12 52.267 -8.320 1.521 97 H THR 13 H THR 13 50.916 -11.294 -1.610 98 HA THR 13 HA THR 13 50.978 -13.974 -2.893 99 HB THR 13 HB THR 13 48.519 -12.845 -3.661 100 HG1 THR 13 HG1 THR 13 47.631 -12.731 -1.419 101 1HG2 THR 13 1HG2 THR 13 49.464 -15.260 -2.868 102 2HG2 THR 13 2HG2 THR 13 48.509 -14.818 -1.452 103 3HG2 THR 13 3HG2 THR 13 47.746 -14.898 -3.041 104 H GLU 14 H GLU 14 50.816 -13.795 -5.264 105 HA GLU 14 HA GLU 14 52.366 -11.857 -6.501 106 1HB GLU 14 1HB GLU 14 51.528 -13.950 -7.517 107 2HB GLU 14 2HB GLU 14 49.903 -13.265 -7.587 108 1HG GLU 14 1HG GLU 14 51.441 -11.316 -8.807 109 2HG GLU 14 2HG GLU 14 52.193 -12.812 -9.362 110 H GLU 15 H GLU 15 48.772 -11.804 -6.445 111 HA GLU 15 HA GLU 15 48.253 -9.358 -7.631 112 1HB GLU 15 1HB GLU 15 47.078 -10.906 -5.347 113 2HB GLU 15 2HB GLU 15 46.428 -9.303 -5.694 114 1HG GLU 15 1HG GLU 15 46.012 -9.966 -8.030 115 2HG GLU 15 2HG GLU 15 46.673 -11.567 -7.697 116 H GLN 16 H GLN 16 49.434 -9.923 -4.330 117 HA GLN 16 HA GLN 16 49.385 -7.070 -3.627 118 1HB GLN 16 1HB GLN 16 50.930 -9.206 -2.172 119 2HB GLN 16 2HB GLN 16 50.013 -7.855 -1.505 120 1HG GLN 16 1HG GLN 16 47.991 -9.146 -2.690 121 2HG GLN 16 2HG GLN 16 49.061 -10.525 -2.433 122 1HE2 GLN 16 2HE2 GLN 16 47.976 -7.634 -0.542 123 2HE2 GLN 16 1HE2 GLN 16 47.747 -8.491 0.906 124 H LYS 17 H LYS 17 51.944 -9.529 -4.109 125 HA LYS 17 HA LYS 17 54.234 -7.952 -3.896 126 1HB LYS 17 1HB LYS 17 53.372 -10.361 -5.407 127 2HB LYS 17 2HB LYS 17 54.854 -9.593 -5.979 128 1HG LYS 17 1HG LYS 17 55.995 -10.495 -4.265 129 2HG LYS 17 2HG LYS 17 54.936 -9.671 -3.120 130 1HD LYS 17 1HD LYS 17 53.761 -11.556 -2.680 131 2HD LYS 17 2HD LYS 17 53.678 -12.000 -4.385 132 1HE LYS 17 1HE LYS 17 56.309 -12.463 -3.947 133 2HE LYS 17 2HE LYS 17 55.669 -12.801 -2.325 134 1HZ LYS 17 1HZ LYS 17 53.878 -14.105 -3.483 135 2HZ LYS 17 2HZ LYS 17 54.800 -13.986 -4.902 136 3HZ LYS 17 3HZ LYS 17 55.430 -14.794 -3.548 137 H ASN 18 H ASN 18 52.017 -8.207 -6.666 138 HA ASN 18 HA ASN 18 53.509 -6.727 -8.579 139 1HB ASN 18 1HB ASN 18 50.615 -7.305 -8.012 140 2HB ASN 18 2HB ASN 18 51.026 -6.179 -9.305 141 1HD2 ASN 18 2HD2 ASN 18 49.940 -9.060 -9.378 142 2HD2 ASN 18 1HD2 ASN 18 51.006 -9.874 -10.419 143 H GLU 19 H GLU 19 51.741 -5.695 -5.746 144 HA GLU 19 HA GLU 19 51.571 -2.880 -6.559 145 1HB GLU 19 1HB GLU 19 51.212 -4.194 -3.848 146 2HB GLU 19 2HB GLU 19 50.561 -2.637 -4.362 147 1HG GLU 19 1HG GLU 19 49.847 -5.329 -5.565 148 2HG GLU 19 2HG GLU 19 48.828 -4.388 -4.475 149 H PHE 20 H PHE 20 53.434 -4.737 -4.121 150 HA PHE 20 HA PHE 20 55.022 -2.563 -3.173 151 1HB PHE 20 1HB PHE 20 55.710 -5.511 -3.419 152 2HB PHE 20 2HB PHE 20 56.415 -4.368 -2.276 153 HD1 PHE 20 HD1 PHE 20 53.887 -2.820 -1.619 154 HD2 PHE 20 HD2 PHE 20 54.664 -7.036 -1.892 155 HE1 PHE 20 HE1 PHE 20 52.036 -3.264 -0.030 156 HE2 PHE 20 HE2 PHE 20 52.814 -7.480 -0.303 157 HZ PHE 20 HZ PHE 20 51.498 -5.594 0.628 158 H LYS 21 H LYS 21 55.597 -4.916 -5.800 159 HA LYS 21 HA LYS 21 58.187 -4.415 -6.580 160 1HB LYS 21 1HB LYS 21 55.629 -5.092 -7.866 161 2HB LYS 21 2HB LYS 21 56.813 -4.393 -8.973 162 1HG LYS 21 1HG LYS 21 57.944 -6.334 -9.011 163 2HG LYS 21 2HG LYS 21 58.163 -6.248 -7.263 164 1HD LYS 21 1HD LYS 21 56.609 -7.835 -6.909 165 2HD LYS 21 2HD LYS 21 55.444 -7.009 -7.944 166 1HE LYS 21 1HE LYS 21 55.953 -8.307 -9.764 167 2HE LYS 21 2HE LYS 21 57.683 -8.350 -9.366 168 1HZ LYS 21 1HZ LYS 21 55.655 -9.707 -7.692 169 2HZ LYS 21 2HZ LYS 21 56.388 -10.489 -9.010 170 3HZ LYS 21 3HZ LYS 21 57.334 -9.947 -7.707 171 H ALA 22 H ALA 22 55.375 -2.409 -7.522 172 HA ALA 22 HA ALA 22 56.514 -0.466 -9.107 173 1HB ALA 22 1HB ALA 22 54.146 -0.794 -7.997 174 2HB ALA 22 2HB ALA 22 54.768 0.332 -6.793 175 3HB ALA 22 3HB ALA 22 54.660 0.822 -8.483 176 H ALA 23 H ALA 23 56.206 0.071 -5.572 177 HA ALA 23 HA ALA 23 58.087 2.210 -5.462 178 1HB ALA 23 1HB ALA 23 56.765 0.308 -3.572 179 2HB ALA 23 2HB ALA 23 58.114 1.263 -2.959 180 3HB ALA 23 3HB ALA 23 56.692 2.070 -3.620 181 H PHE 24 H PHE 24 58.517 -1.295 -5.262 182 HA PHE 24 HA PHE 24 61.190 -1.311 -4.214 183 1HB PHE 24 1HB PHE 24 59.737 -3.267 -4.249 184 2HB PHE 24 2HB PHE 24 59.648 -3.211 -6.009 185 HD1 PHE 24 HD1 PHE 24 62.122 -3.478 -3.208 186 HD2 PHE 24 HD2 PHE 24 61.195 -4.415 -7.296 187 HE1 PHE 24 HE1 PHE 24 64.177 -4.859 -3.357 188 HE2 PHE 24 HE2 PHE 24 63.250 -5.797 -7.445 189 HZ PHE 24 HZ PHE 24 64.740 -6.017 -5.475 190 H ASP 25 H ASP 25 59.900 -0.909 -7.481 191 HA ASP 25 HA ASP 25 62.409 -1.277 -8.876 192 1HB ASP 25 1HB ASP 25 59.724 -1.031 -9.477 193 2HB ASP 25 2HB ASP 25 60.384 0.493 -10.070 194 H ILE 26 H ILE 26 60.515 1.720 -8.307 195 HA ILE 26 HA ILE 26 62.588 3.525 -9.064 196 HB ILE 26 HB ILE 26 60.149 3.697 -7.281 197 1HG1 ILE 26 1HG1 ILE 26 59.644 5.265 -9.404 198 2HG1 ILE 26 2HG1 ILE 26 60.813 4.176 -10.151 199 1HG2 ILE 26 1HG2 ILE 26 62.189 5.791 -7.998 200 2HG2 ILE 26 2HG2 ILE 26 60.505 6.245 -7.739 201 3HG2 ILE 26 3HG2 ILE 26 61.421 5.480 -6.441 202 1HD1 ILE 26 1HD1 ILE 26 58.652 2.958 -8.488 203 2HD1 ILE 26 2HD1 ILE 26 58.210 3.582 -10.078 204 3HD1 ILE 26 3HD1 ILE 26 59.444 2.330 -9.934 205 H PHE 27 H PHE 27 61.872 1.929 -5.995 206 HA PHE 27 HA PHE 27 63.441 3.524 -4.242 207 1HB PHE 27 1HB PHE 27 62.356 0.757 -4.378 208 2HB PHE 27 2HB PHE 27 63.639 1.035 -3.199 209 HD1 PHE 27 HD1 PHE 27 61.209 3.600 -4.332 210 HD2 PHE 27 HD2 PHE 27 62.324 0.886 -1.192 211 HE1 PHE 27 HE1 PHE 27 59.587 4.693 -2.808 212 HE2 PHE 27 HE2 PHE 27 60.700 1.980 0.329 213 HZ PHE 27 HZ PHE 27 59.332 3.883 -0.478 214 H VAL 28 H VAL 28 64.412 1.324 -6.753 215 HA VAL 28 HA VAL 28 67.233 1.415 -5.735 216 HB VAL 28 HB VAL 28 67.484 -0.729 -6.910 217 1HG1 VAL 28 1HG1 VAL 28 65.949 -0.263 -4.626 218 2HG1 VAL 28 2HG1 VAL 28 64.972 -1.377 -5.581 219 3HG1 VAL 28 3HG1 VAL 28 66.620 -1.815 -5.129 220 1HG2 VAL 28 1HG2 VAL 28 65.524 0.123 -8.553 221 2HG2 VAL 28 2HG2 VAL 28 65.923 -1.586 -8.367 222 3HG2 VAL 28 3HG2 VAL 28 64.566 -0.895 -7.478 223 H LEU 29 H LEU 29 65.369 3.022 -7.818 224 HA LEU 29 HA LEU 29 66.570 2.764 -10.392 225 1HB LEU 29 1HB LEU 29 64.812 4.554 -8.904 226 2HB LEU 29 2HB LEU 29 65.829 5.440 -10.040 227 HG LEU 29 HG LEU 29 63.995 3.111 -10.670 228 1HD1 LEU 29 1HD1 LEU 29 63.189 5.591 -10.401 229 2HD1 LEU 29 2HD1 LEU 29 63.987 5.831 -11.956 230 3HD1 LEU 29 3HD1 LEU 29 62.669 4.668 -11.811 231 1HD2 LEU 29 1HD2 LEU 29 66.385 4.126 -12.027 232 2HD2 LEU 29 2HD2 LEU 29 65.474 2.645 -12.322 233 3HD2 LEU 29 3HD2 LEU 29 64.954 4.161 -13.058 234 H GLY 30 H GLY 30 68.887 2.594 -10.051 235 1HA GLY 30 1HA GLY 30 70.711 4.316 -10.609 236 2HA GLY 30 2HA GLY 30 70.190 5.122 -9.127 237 H ALA 31 H ALA 31 69.707 2.200 -8.106 238 HA ALA 31 HA ALA 31 72.165 1.985 -6.617 239 1HB ALA 31 1HB ALA 31 69.543 0.902 -6.664 240 2HB ALA 31 2HB ALA 31 70.651 -0.468 -6.741 241 3HB ALA 31 3HB ALA 31 70.765 0.686 -5.412 242 H GLU 32 H GLU 32 74.030 0.888 -7.143 243 HA GLU 32 HA GLU 32 74.279 -0.332 -9.799 244 1HB GLU 32 1HB GLU 32 75.910 1.082 -8.166 245 2HB GLU 32 2HB GLU 32 76.414 -0.553 -7.736 246 1HG GLU 32 1HG GLU 32 76.285 0.545 -10.562 247 2HG GLU 32 2HG GLU 32 77.759 0.352 -9.612 248 H ASP 33 H ASP 33 73.095 -1.477 -6.907 249 HA ASP 33 HA ASP 33 73.977 -4.277 -7.538 250 1HB ASP 33 1HB ASP 33 74.092 -2.630 -5.110 251 2HB ASP 33 2HB ASP 33 73.343 -4.205 -4.839 252 H GLY 34 H GLY 34 71.412 -2.291 -7.768 253 1HA GLY 34 1HA GLY 34 69.118 -2.748 -8.034 254 2HA GLY 34 2HA GLY 34 69.487 -4.456 -7.779 255 H CYS 35 H CYS 35 70.349 -1.910 -5.502 256 HA CYS 35 HA CYS 35 68.287 -2.996 -3.612 257 1HB CYS 35 1HB CYS 35 69.986 -2.875 -1.880 258 2HB CYS 35 2HB CYS 35 70.664 -3.756 -3.248 259 HG CYS 35 HG CYS 35 71.917 -1.530 -3.949 260 H ILE 36 H ILE 36 68.914 -1.162 -1.523 261 HA ILE 36 HA ILE 36 68.326 1.494 -2.787 262 HB ILE 36 HB ILE 36 67.017 0.259 -0.342 263 1HG1 ILE 36 1HG1 ILE 36 65.675 0.780 -2.991 264 2HG1 ILE 36 2HG1 ILE 36 66.534 -0.734 -2.708 265 1HG2 ILE 36 1HG2 ILE 36 66.803 2.886 -1.770 266 2HG2 ILE 36 2HG2 ILE 36 65.360 2.207 -1.019 267 3HG2 ILE 36 3HG2 ILE 36 66.784 2.552 -0.038 268 1HD1 ILE 36 1HD1 ILE 36 64.301 0.366 -0.974 269 2HD1 ILE 36 2HD1 ILE 36 64.137 -0.949 -2.138 270 3HD1 ILE 36 3HD1 ILE 36 65.152 -1.157 -0.712 271 H SER 37 H SER 37 69.074 3.307 -1.576 272 HA SER 37 HA SER 37 70.512 2.910 0.975 273 1HB SER 37 1HB SER 37 71.743 3.137 -1.707 274 2HB SER 37 2HB SER 37 72.475 4.112 -0.441 275 HG SER 37 HG SER 37 72.701 1.489 -0.875 276 H THR 38 H THR 38 68.279 4.473 0.234 277 HA THR 38 HA THR 38 67.451 6.646 0.678 278 HB THR 38 HB THR 38 68.809 8.096 1.891 279 HG1 THR 38 HG1 THR 38 70.520 8.775 0.944 280 1HG2 THR 38 1HG2 THR 38 69.109 5.418 2.454 281 2HG2 THR 38 2HG2 THR 38 70.779 5.980 2.383 282 3HG2 THR 38 3HG2 THR 38 69.638 6.741 3.492 283 H LYS 39 H LYS 39 70.561 6.800 -1.127 284 HA LYS 39 HA LYS 39 69.979 8.976 -2.810 285 1HB LYS 39 1HB LYS 39 71.864 6.883 -2.576 286 2HB LYS 39 2HB LYS 39 71.264 6.797 -4.232 287 1HG LYS 39 1HG LYS 39 72.020 8.932 -4.765 288 2HG LYS 39 2HG LYS 39 71.993 9.469 -3.085 289 1HD LYS 39 1HD LYS 39 74.108 8.759 -2.713 290 2HD LYS 39 2HD LYS 39 73.821 7.223 -3.534 291 1HE LYS 39 1HE LYS 39 74.065 8.369 -5.731 292 2HE LYS 39 2HE LYS 39 74.433 9.881 -4.876 293 1HZ LYS 39 1HZ LYS 39 75.880 7.445 -4.116 294 2HZ LYS 39 2HZ LYS 39 76.345 8.240 -5.544 295 3HZ LYS 39 3HZ LYS 39 76.391 9.064 -4.063 296 H GLU 40 H GLU 40 68.890 5.626 -2.967 297 HA GLU 40 HA GLU 40 67.415 6.102 -5.501 298 1HB GLU 40 1HB GLU 40 67.521 3.618 -3.769 299 2HB GLU 40 2HB GLU 40 67.170 3.716 -5.494 300 1HG GLU 40 1HG GLU 40 69.375 3.117 -5.661 301 2HG GLU 40 2HG GLU 40 69.614 4.856 -5.487 302 H LEU 41 H LEU 41 66.927 5.802 -2.049 303 HA LEU 41 HA LEU 41 64.026 5.406 -2.205 304 1HB LEU 41 1HB LEU 41 65.789 4.691 -0.412 305 2HB LEU 41 2HB LEU 41 65.606 6.339 0.189 306 HG LEU 41 HG LEU 41 64.061 4.865 1.376 307 1HD1 LEU 41 1HD1 LEU 41 63.411 7.246 0.366 308 2HD1 LEU 41 2HD1 LEU 41 62.248 6.276 -0.538 309 3HD1 LEU 41 3HD1 LEU 41 62.225 6.263 1.225 310 1HD2 LEU 41 1HD2 LEU 41 63.881 3.592 -1.130 311 2HD2 LEU 41 2HD2 LEU 41 63.008 3.160 0.340 312 3HD2 LEU 41 3HD2 LEU 41 62.276 4.259 -0.829 313 H GLY 42 H GLY 42 66.095 8.053 -0.943 314 1HA GLY 42 1HA GLY 42 64.197 9.981 -0.401 315 2HA GLY 42 2HA GLY 42 65.768 10.389 -1.094 316 H LYS 43 H LYS 43 65.391 9.049 -3.610 317 HA LYS 43 HA LYS 43 64.341 11.026 -5.257 318 1HB LYS 43 1HB LYS 43 65.048 8.210 -5.389 319 2HB LYS 43 2HB LYS 43 63.717 8.578 -6.486 320 1HG LYS 43 1HG LYS 43 65.978 10.513 -6.436 321 2HG LYS 43 2HG LYS 43 66.292 8.945 -7.180 322 1HD LYS 43 1HD LYS 43 64.988 9.401 -8.964 323 2HD LYS 43 2HD LYS 43 63.719 10.110 -7.966 324 1HE LYS 43 1HE LYS 43 64.995 12.210 -7.793 325 2HE LYS 43 2HE LYS 43 66.303 11.502 -8.763 326 1HZ LYS 43 1HZ LYS 43 63.498 11.517 -9.705 327 2HZ LYS 43 2HZ LYS 43 64.535 12.825 -10.006 328 3HZ LYS 43 3HZ LYS 43 64.916 11.284 -10.612 329 H VAL 44 H VAL 44 62.564 8.405 -3.638 330 HA VAL 44 HA VAL 44 60.030 8.966 -4.939 331 HB VAL 44 HB VAL 44 60.855 7.474 -2.429 332 1HG1 VAL 44 1HG1 VAL 44 58.198 7.586 -3.883 333 2HG1 VAL 44 2HG1 VAL 44 58.605 6.388 -2.653 334 3HG1 VAL 44 3HG1 VAL 44 58.518 8.097 -2.226 335 1HG2 VAL 44 1HG2 VAL 44 61.041 6.913 -5.234 336 2HG2 VAL 44 2HG2 VAL 44 61.488 5.872 -3.882 337 3HG2 VAL 44 3HG2 VAL 44 59.848 5.821 -4.529 338 H MET 45 H MET 45 61.608 10.008 -1.938 339 HA MET 45 HA MET 45 59.397 11.192 -0.616 340 1HB MET 45 1HB MET 45 62.368 11.559 -0.722 341 2HB MET 45 2HB MET 45 61.416 12.769 0.138 342 1HG MET 45 1HG MET 45 62.122 10.990 1.681 343 2HG MET 45 2HG MET 45 60.369 10.975 1.487 344 1HE MET 45 1HE MET 45 59.067 9.510 0.832 345 2HE MET 45 2HE MET 45 59.356 9.075 -0.851 346 3HE MET 45 3HE MET 45 59.354 7.822 0.388 347 H ARG 46 H ARG 46 61.574 12.521 -3.109 348 HA ARG 46 HA ARG 46 60.426 15.171 -3.127 349 1HB ARG 46 1HB ARG 46 62.356 13.528 -4.617 350 2HB ARG 46 2HB ARG 46 61.517 14.704 -5.630 351 1HG ARG 46 1HG ARG 46 62.103 16.169 -3.360 352 2HG ARG 46 2HG ARG 46 63.527 15.143 -3.538 353 1HD ARG 46 1HD ARG 46 62.479 16.440 -6.019 354 2HD ARG 46 2HD ARG 46 63.330 17.472 -4.851 355 HE ARG 46 HE ARG 46 64.611 15.556 -6.528 356 1HH1 ARG 46 1HH1 ARG 46 64.802 17.247 -3.583 357 2HH1 ARG 46 2HH1 ARG 46 66.246 16.458 -3.045 358 1HH2 ARG 46 1HH2 ARG 46 66.326 14.219 -5.691 359 2HH2 ARG 46 2HH2 ARG 46 67.110 14.744 -4.238 360 H MET 47 H MET 47 59.622 12.135 -4.726 361 HA MET 47 HA MET 47 57.750 13.359 -6.620 362 1HB MET 47 1HB MET 47 58.772 10.665 -5.867 363 2HB MET 47 2HB MET 47 57.189 10.717 -6.643 364 1HG MET 47 1HG MET 47 58.355 12.312 -8.352 365 2HG MET 47 2HG MET 47 59.849 11.617 -7.724 366 1HE MET 47 1HE MET 47 59.340 9.148 -6.798 367 2HE MET 47 2HE MET 47 58.941 7.839 -7.908 368 3HE MET 47 3HE MET 47 60.438 8.743 -8.123 369 H LEU 48 H LEU 48 57.607 11.866 -3.425 370 HA LEU 48 HA LEU 48 54.750 11.476 -3.320 371 1HB LEU 48 1HB LEU 48 57.009 11.753 -1.335 372 2HB LEU 48 2HB LEU 48 55.344 11.576 -0.782 373 HG LEU 48 HG LEU 48 56.912 9.644 -2.510 374 1HD1 LEU 48 1HD1 LEU 48 56.685 9.903 0.255 375 2HD1 LEU 48 2HD1 LEU 48 55.508 8.653 -0.148 376 3HD1 LEU 48 3HD1 LEU 48 57.199 8.454 -0.608 377 1HD2 LEU 48 1HD2 LEU 48 54.032 10.113 -2.258 378 2HD2 LEU 48 2HD2 LEU 48 54.906 9.110 -3.416 379 3HD2 LEU 48 3HD2 LEU 48 54.491 8.465 -1.829 380 H GLY 49 H GLY 49 56.601 14.303 -3.437 381 1HA GLY 49 1HA GLY 49 55.616 16.504 -3.488 382 2HA GLY 49 2HA GLY 49 54.271 15.896 -2.521 383 H GLN 50 H GLN 50 57.519 15.060 -1.610 384 HA GLN 50 HA GLN 50 57.674 17.237 0.401 385 1HB GLN 50 1HB GLN 50 56.466 14.767 0.927 386 2HB GLN 50 2HB GLN 50 58.084 14.615 1.612 387 1HG GLN 50 1HG GLN 50 57.601 16.999 2.594 388 2HG GLN 50 2HG GLN 50 55.913 16.569 2.315 389 1HE2 GLN 50 2HE2 GLN 50 57.122 16.898 4.965 390 2HE2 GLN 50 1HE2 GLN 50 57.033 15.390 5.740 391 H ASN 51 H ASN 51 59.727 16.325 1.938 392 HA ASN 51 HA ASN 51 61.823 14.934 0.518 393 1HB ASN 51 1HB ASN 51 63.177 16.907 -0.070 394 2HB ASN 51 2HB ASN 51 61.602 16.991 -0.861 395 1HD2 ASN 51 2HD2 ASN 51 63.437 19.248 -0.018 396 2HD2 ASN 51 1HD2 ASN 51 62.491 20.229 0.995 397 HA PRO 52 HA PRO 52 62.545 15.443 4.988 398 1HB PRO 52 1HB PRO 52 63.517 12.913 5.352 399 2HB PRO 52 2HB PRO 52 61.782 13.289 5.340 400 1HG PRO 52 1HG PRO 52 63.475 12.094 3.212 401 2HG PRO 52 2HG PRO 52 61.792 11.755 3.643 402 1HD PRO 52 1HD PRO 52 62.570 13.304 1.508 403 2HD PRO 52 2HD PRO 52 60.988 13.417 2.311 404 H THR 53 H THR 53 64.757 14.442 6.157 405 HA THR 53 HA THR 53 66.963 15.736 4.670 406 HB THR 53 HB THR 53 68.059 15.067 6.992 407 HG1 THR 53 HG1 THR 53 66.606 14.599 8.532 408 1HG2 THR 53 1HG2 THR 53 66.657 17.294 6.000 409 2HG2 THR 53 2HG2 THR 53 66.026 17.027 7.625 410 3HG2 THR 53 3HG2 THR 53 67.757 17.261 7.378 411 HA PRO 54 HA PRO 54 68.961 12.013 3.494 412 1HB PRO 54 1HB PRO 54 71.598 12.594 3.931 413 2HB PRO 54 2HB PRO 54 70.657 13.317 2.612 414 1HG PRO 54 1HG PRO 54 71.432 14.471 5.238 415 2HG PRO 54 2HG PRO 54 71.308 15.250 3.653 416 1HD PRO 54 1HD PRO 54 69.419 15.468 5.631 417 2HD PRO 54 2HD PRO 54 69.081 15.676 3.898 418 H GLU 55 H GLU 55 69.497 13.216 6.732 419 HA GLU 55 HA GLU 55 70.927 10.868 7.710 420 1HB GLU 55 1HB GLU 55 70.937 13.284 8.577 421 2HB GLU 55 2HB GLU 55 69.366 12.920 9.293 422 1HG GLU 55 1HG GLU 55 71.236 12.563 10.899 423 2HG GLU 55 2HG GLU 55 70.340 11.079 10.576 424 H GLU 56 H GLU 56 67.541 11.981 7.737 425 HA GLU 56 HA GLU 56 66.554 9.850 9.427 426 1HB GLU 56 1HB GLU 56 65.575 12.174 8.758 427 2HB GLU 56 2HB GLU 56 64.966 11.329 7.334 428 1HG GLU 56 1HG GLU 56 63.614 9.883 8.619 429 2HG GLU 56 2HG GLU 56 64.495 10.239 10.106 430 H LEU 57 H LEU 57 66.938 10.236 5.918 431 HA LEU 57 HA LEU 57 65.398 8.094 4.958 432 1HB LEU 57 1HB LEU 57 67.707 9.703 4.151 433 2HB LEU 57 2HB LEU 57 67.736 8.087 3.446 434 HG LEU 57 HG LEU 57 65.473 10.096 3.279 435 1HD1 LEU 57 1HD1 LEU 57 67.370 10.495 1.746 436 2HD1 LEU 57 2HD1 LEU 57 67.251 8.832 1.170 437 3HD1 LEU 57 3HD1 LEU 57 65.938 9.969 0.860 438 1HD2 LEU 57 1HD2 LEU 57 65.652 7.164 2.611 439 2HD2 LEU 57 2HD2 LEU 57 64.348 8.038 3.417 440 3HD2 LEU 57 3HD2 LEU 57 64.589 8.219 1.680 441 H GLN 58 H GLN 58 68.867 7.957 5.873 442 HA GLN 58 HA GLN 58 69.403 5.256 5.535 443 1HB GLN 58 1HB GLN 58 70.540 7.463 6.787 444 2HB GLN 58 2HB GLN 58 70.350 6.306 8.104 445 1HG GLN 58 1HG GLN 58 71.340 5.043 5.664 446 2HG GLN 58 2HG GLN 58 72.414 6.320 6.238 447 1HE2 GLN 58 2HE2 GLN 58 71.580 3.049 6.695 448 2HE2 GLN 58 1HE2 GLN 58 72.332 2.816 8.199 449 H GLU 59 H GLU 59 67.537 6.760 8.156 450 HA GLU 59 HA GLU 59 67.346 4.564 9.935 451 1HB GLU 59 1HB GLU 59 66.300 7.137 9.620 452 2HB GLU 59 2HB GLU 59 64.877 6.094 9.624 453 1HG GLU 59 1HG GLU 59 65.079 6.217 11.889 454 2HG GLU 59 2HG GLU 59 66.334 4.998 11.661 455 H MET 60 H MET 60 65.162 5.441 7.224 456 HA MET 60 HA MET 60 63.300 3.356 7.406 457 1HB MET 60 1HB MET 60 64.580 4.876 5.139 458 2HB MET 60 2HB MET 60 63.371 3.636 4.803 459 1HG MET 60 1HG MET 60 61.762 4.779 6.261 460 2HG MET 60 2HG MET 60 62.969 6.004 6.655 461 1HE MET 60 1HE MET 60 60.333 4.700 4.500 462 2HE MET 60 2HE MET 60 59.884 6.260 5.183 463 3HE MET 60 3HE MET 60 59.978 6.053 3.430 464 H ILE 61 H ILE 61 66.661 3.212 6.475 465 HA ILE 61 HA ILE 61 66.413 0.508 5.301 466 HB ILE 61 HB ILE 61 68.668 2.467 5.806 467 1HG1 ILE 61 1HG1 ILE 61 68.643 2.195 3.183 468 2HG1 ILE 61 2HG1 ILE 61 66.997 1.623 3.455 469 1HG2 ILE 61 1HG2 ILE 61 68.893 -0.329 5.572 470 2HG2 ILE 61 2HG2 ILE 61 69.309 0.309 3.982 471 3HG2 ILE 61 3HG2 ILE 61 70.189 0.855 5.409 472 1HD1 ILE 61 1HD1 ILE 61 68.051 4.233 4.569 473 2HD1 ILE 61 2HD1 ILE 61 67.192 4.113 3.033 474 3HD1 ILE 61 3HD1 ILE 61 66.376 3.682 4.536 475 H ASP 62 H ASP 62 67.642 2.076 8.238 476 HA ASP 62 HA ASP 62 68.827 -0.350 9.335 477 1HB ASP 62 1HB ASP 62 69.533 1.993 9.831 478 2HB ASP 62 2HB ASP 62 67.987 2.259 10.640 479 H GLU 63 H GLU 63 65.827 1.496 9.988 480 HA GLU 63 HA GLU 63 64.720 0.096 12.106 481 1HB GLU 63 1HB GLU 63 63.801 2.039 10.746 482 2HB GLU 63 2HB GLU 63 63.239 0.851 9.570 483 1HG GLU 63 1HG GLU 63 61.556 0.110 10.924 484 2HG GLU 63 2HG GLU 63 62.524 0.286 12.389 485 H VAL 64 H VAL 64 65.106 -1.022 8.784 486 HA VAL 64 HA VAL 64 63.987 -3.681 9.616 487 HB VAL 64 HB VAL 64 63.099 -3.839 7.321 488 1HG1 VAL 64 1HG1 VAL 64 61.844 -2.630 9.202 489 2HG1 VAL 64 2HG1 VAL 64 62.351 -1.127 8.432 490 3HG1 VAL 64 3HG1 VAL 64 61.325 -2.263 7.557 491 1HG2 VAL 64 1HG2 VAL 64 64.891 -2.494 6.243 492 2HG2 VAL 64 2HG2 VAL 64 63.285 -1.921 5.794 493 3HG2 VAL 64 3HG2 VAL 64 64.232 -1.041 6.994 494 H ASP 65 H ASP 65 66.777 -2.855 9.738 495 HA ASP 65 HA ASP 65 68.066 -4.091 7.372 496 1HB ASP 65 1HB ASP 65 68.920 -2.000 8.355 497 2HB ASP 65 2HB ASP 65 69.132 -2.807 9.910 498 H GLU 66 H GLU 66 68.340 -6.285 7.389 499 HA GLU 66 HA GLU 66 68.820 -7.634 10.028 500 1HB GLU 66 1HB GLU 66 67.116 -8.225 7.647 501 2HB GLU 66 2HB GLU 66 67.838 -9.599 8.484 502 1HG GLU 66 1HG GLU 66 66.904 -7.995 10.555 503 2HG GLU 66 2HG GLU 66 65.644 -7.864 9.328 504 H ASP 67 H ASP 67 70.725 -6.490 7.932 505 HA ASP 67 HA ASP 67 72.341 -8.981 7.584 506 1HB ASP 67 1HB ASP 67 72.909 -7.967 5.280 507 2HB ASP 67 2HB ASP 67 71.299 -8.663 5.464 508 H GLY 68 H GLY 68 72.233 -5.428 7.689 509 1HA GLY 68 1HA GLY 68 73.828 -4.085 8.888 510 2HA GLY 68 2HA GLY 68 74.954 -5.443 8.860 511 H SER 69 H SER 69 73.217 -4.333 6.009 512 HA SER 69 HA SER 69 75.850 -3.654 4.770 513 1HB SER 69 1HB SER 69 74.712 -4.150 2.693 514 2HB SER 69 2HB SER 69 74.295 -5.423 3.837 515 HG SER 69 HG SER 69 72.383 -4.155 4.302 516 H GLY 70 H GLY 70 72.862 -2.259 5.844 517 1HA GLY 70 1HA GLY 70 72.435 0.076 6.076 518 2HA GLY 70 2HA GLY 70 73.811 0.407 5.022 519 H THR 71 H THR 71 72.212 -1.937 3.422 520 HA THR 71 HA THR 71 70.570 0.056 1.894 521 HB THR 71 HB THR 71 71.091 -1.384 -0.046 522 HG1 THR 71 HG1 THR 71 72.201 -3.222 0.203 523 1HG2 THR 71 1HG2 THR 71 72.878 0.238 1.373 524 2HG2 THR 71 2HG2 THR 71 73.807 -1.205 0.969 525 3HG2 THR 71 3HG2 THR 71 73.030 -0.270 -0.308 526 H VAL 72 H VAL 72 68.701 -1.068 0.684 527 HA VAL 72 HA VAL 72 67.502 -3.200 2.426 528 HB VAL 72 HB VAL 72 66.314 -0.783 1.039 529 1HG1 VAL 72 1HG1 VAL 72 65.099 -3.341 1.711 530 2HG1 VAL 72 2HG1 VAL 72 64.336 -2.015 2.590 531 3HG1 VAL 72 3HG1 VAL 72 64.412 -1.978 0.829 532 1HG2 VAL 72 1HG2 VAL 72 66.404 -1.674 3.939 533 2HG2 VAL 72 2HG2 VAL 72 67.383 -0.390 3.230 534 3HG2 VAL 72 3HG2 VAL 72 65.632 -0.204 3.345 535 H ASP 73 H ASP 73 66.275 -4.817 1.331 536 HA ASP 73 HA ASP 73 66.441 -4.807 -1.661 537 1HB ASP 73 1HB ASP 73 68.141 -6.206 -0.170 538 2HB ASP 73 2HB ASP 73 66.778 -7.321 -0.061 539 H PHE 74 H PHE 74 64.959 -6.719 -2.485 540 HA PHE 74 HA PHE 74 62.278 -6.231 -1.935 541 1HB PHE 74 1HB PHE 74 63.560 -7.764 -3.655 542 2HB PHE 74 2HB PHE 74 63.241 -9.029 -2.468 543 HD1 PHE 74 HD1 PHE 74 61.483 -6.238 -4.254 544 HD2 PHE 74 HD2 PHE 74 61.207 -10.174 -2.556 545 HE1 PHE 74 HE1 PHE 74 59.153 -6.431 -5.084 546 HE2 PHE 74 HE2 PHE 74 58.876 -10.366 -3.386 547 HZ PHE 74 HZ PHE 74 57.851 -8.496 -4.650 548 H ASP 75 H ASP 75 64.561 -8.039 -0.005 549 HA ASP 75 HA ASP 75 62.542 -9.421 1.605 550 1HB ASP 75 1HB ASP 75 64.988 -10.066 1.052 551 2HB ASP 75 2HB ASP 75 65.436 -8.904 2.303 552 H GLU 76 H GLU 76 65.048 -7.042 2.556 553 HA GLU 76 HA GLU 76 63.760 -6.290 4.999 554 1HB GLU 76 1HB GLU 76 65.792 -4.946 3.193 555 2HB GLU 76 2HB GLU 76 65.393 -4.365 4.811 556 1HG GLU 76 1HG GLU 76 65.989 -6.639 5.702 557 2HG GLU 76 2HG GLU 76 66.556 -7.067 4.088 558 H PHE 77 H PHE 77 63.292 -5.257 1.690 559 HA PHE 77 HA PHE 77 62.057 -2.707 2.216 560 1HB PHE 77 1HB PHE 77 62.905 -3.228 0.035 561 2HB PHE 77 2HB PHE 77 61.963 -4.717 -0.046 562 HD1 PHE 77 HD1 PHE 77 61.243 -1.115 0.752 563 HD2 PHE 77 HD2 PHE 77 60.160 -4.604 -1.507 564 HE1 PHE 77 HE1 PHE 77 59.358 0.131 -0.269 565 HE2 PHE 77 HE2 PHE 77 58.275 -3.358 -2.529 566 HZ PHE 77 HZ PHE 77 57.874 -0.990 -1.910 567 H LEU 78 H LEU 78 60.675 -5.954 1.585 568 HA LEU 78 HA LEU 78 57.942 -5.344 1.713 569 1HB LEU 78 1HB LEU 78 59.692 -7.676 2.368 570 2HB LEU 78 2HB LEU 78 58.002 -7.761 2.869 571 HG LEU 78 HG LEU 78 58.855 -7.035 0.057 572 1HD1 LEU 78 1HD1 LEU 78 59.404 -9.445 1.053 573 2HD1 LEU 78 2HD1 LEU 78 57.686 -9.701 0.743 574 3HD1 LEU 78 3HD1 LEU 78 58.764 -9.257 -0.580 575 1HD2 LEU 78 1HD2 LEU 78 56.597 -6.310 0.763 576 2HD2 LEU 78 2HD2 LEU 78 56.500 -7.588 -0.448 577 3HD2 LEU 78 3HD2 LEU 78 56.222 -7.962 1.252 578 H VAL 79 H VAL 79 60.086 -6.197 4.462 579 HA VAL 79 HA VAL 79 58.230 -6.032 6.562 580 HB VAL 79 HB VAL 79 61.146 -5.242 6.330 581 1HG1 VAL 79 1HG1 VAL 79 59.290 -5.300 8.696 582 2HG1 VAL 79 2HG1 VAL 79 60.995 -5.696 8.910 583 3HG1 VAL 79 3HG1 VAL 79 60.528 -4.113 8.286 584 1HG2 VAL 79 1HG2 VAL 79 59.608 -7.731 6.800 585 2HG2 VAL 79 2HG2 VAL 79 61.213 -7.516 6.103 586 3HG2 VAL 79 3HG2 VAL 79 61.002 -7.497 7.854 587 H MET 80 H MET 80 59.818 -3.428 4.771 588 HA MET 80 HA MET 80 58.917 -1.307 6.562 589 1HB MET 80 1HB MET 80 60.793 -1.655 4.547 590 2HB MET 80 2HB MET 80 59.589 -0.611 3.791 591 1HG MET 80 1HG MET 80 59.777 1.015 5.558 592 2HG MET 80 2HG MET 80 60.777 -0.071 6.523 593 1HE MET 80 1HE MET 80 60.156 1.248 3.232 594 2HE MET 80 2HE MET 80 61.440 2.423 2.960 595 3HE MET 80 3HE MET 80 61.601 0.772 2.344 596 H MET 81 H MET 81 57.549 -3.068 3.899 597 HA MET 81 HA MET 81 55.559 -1.006 3.222 598 1HB MET 81 1HB MET 81 56.346 -3.760 2.346 599 2HB MET 81 2HB MET 81 54.729 -3.189 1.931 600 1HG MET 81 1HG MET 81 56.989 -1.309 1.449 601 2HG MET 81 2HG MET 81 56.858 -2.697 0.369 602 1HE MET 81 1HE MET 81 56.687 0.396 0.567 603 2HE MET 81 2HE MET 81 55.848 0.711 -0.950 604 3HE MET 81 3HE MET 81 55.082 1.124 0.591 605 H VAL 82 H VAL 82 55.814 -3.824 5.290 606 HA VAL 82 HA VAL 82 52.945 -4.175 5.679 607 HB VAL 82 HB VAL 82 55.243 -5.075 7.436 608 1HG1 VAL 82 1HG1 VAL 82 52.385 -5.640 7.236 609 2HG1 VAL 82 2HG1 VAL 82 53.360 -7.106 7.122 610 3HG1 VAL 82 3HG1 VAL 82 53.518 -6.048 8.525 611 1HG2 VAL 82 1HG2 VAL 82 54.672 -5.689 4.644 612 2HG2 VAL 82 2HG2 VAL 82 56.068 -6.140 5.622 613 3HG2 VAL 82 3HG2 VAL 82 54.612 -7.134 5.652 614 H ARG 83 H ARG 83 55.593 -2.684 7.569 615 HA ARG 83 HA ARG 83 53.885 -1.855 9.761 616 1HB ARG 83 1HB ARG 83 56.574 -0.802 8.819 617 2HB ARG 83 2HB ARG 83 55.900 -0.640 10.440 618 1HG ARG 83 1HG ARG 83 55.918 -3.083 10.708 619 2HG ARG 83 2HG ARG 83 56.566 -3.266 9.078 620 1HD ARG 83 1HD ARG 83 58.664 -2.974 9.875 621 2HD ARG 83 2HD ARG 83 58.206 -1.388 10.528 622 HE ARG 83 HE ARG 83 57.594 -3.917 12.012 623 1HH1 ARG 83 1HH1 ARG 83 56.843 -0.948 12.718 624 2HH1 ARG 83 2HH1 ARG 83 57.969 -0.669 14.004 625 1HH2 ARG 83 1HH2 ARG 83 59.891 -3.462 13.283 626 2HH2 ARG 83 2HH2 ARG 83 59.693 -2.092 14.325 627 H CYS 84 H CYS 84 55.073 -0.286 6.798 628 HA CYS 84 HA CYS 84 54.310 2.382 7.288 629 1HB CYS 84 1HB CYS 84 55.607 1.599 5.357 630 2HB CYS 84 2HB CYS 84 54.203 0.722 4.747 631 HG CYS 84 HG CYS 84 53.378 2.824 3.741 632 H MET 85 H MET 85 52.320 -0.383 6.295 633 HA MET 85 HA MET 85 49.942 1.192 5.733 634 1HB MET 85 1HB MET 85 50.237 -1.746 6.432 635 2HB MET 85 2HB MET 85 48.917 -1.004 5.529 636 1HG MET 85 1HG MET 85 51.431 -0.296 4.310 637 2HG MET 85 2HG MET 85 51.333 -2.049 4.487 638 1HE MET 85 1HE MET 85 48.648 -3.053 4.238 639 2HE MET 85 2HE MET 85 48.375 -3.192 2.503 640 3HE MET 85 3HE MET 85 49.960 -3.579 3.186 641 H LYS 86 H LYS 86 50.933 -0.885 8.486 642 HA LYS 86 HA LYS 86 50.134 -0.932 10.714 643 1HB LYS 86 1HB LYS 86 51.007 1.442 10.346 644 2HB LYS 86 2HB LYS 86 49.332 1.920 10.074 645 1HG LYS 86 1HG LYS 86 48.776 0.898 12.322 646 2HG LYS 86 2HG LYS 86 50.509 0.717 12.591 647 1HD LYS 86 1HD LYS 86 50.283 2.801 13.514 648 2HD LYS 86 2HD LYS 86 50.447 3.308 11.832 649 1HE LYS 86 1HE LYS 86 47.700 2.623 12.278 650 2HE LYS 86 2HE LYS 86 48.218 3.736 13.559 651 1HZ LYS 86 1HZ LYS 86 48.822 4.134 10.680 652 2HZ LYS 86 2HZ LYS 86 47.511 4.866 11.474 653 3HZ LYS 86 3HZ LYS 86 49.104 5.228 11.944 654 H ASP 87 H ASP 87 48.359 -2.289 9.390 655 HA ASP 87 HA ASP 87 45.699 -0.966 9.448 656 1HB ASP 87 1HB ASP 87 46.202 -2.203 7.467 657 2HB ASP 87 2HB ASP 87 46.821 -3.570 8.395 658 H ASP 88 H ASP 88 47.575 -2.424 11.711 659 HA ASP 88 HA ASP 88 45.418 -4.101 12.897 660 1HB ASP 88 1HB ASP 88 48.312 -3.602 13.679 661 2HB ASP 88 2HB ASP 88 47.253 -4.817 14.395 662 H SER 89 H SER 89 46.123 -3.745 15.611 663 HA SER 89 HA SER 89 45.774 -2.295 17.451 664 1HB SER 89 1HB SER 89 47.332 -0.955 15.646 665 2HB SER 89 2HB SER 89 45.948 0.130 15.759 666 HG SER 89 HG SER 89 46.301 -0.349 18.170 667 1H ARG 1 1H ARG 1 59.053 9.233 5.645 668 2H ARG 1 2H ARG 1 58.715 9.723 7.234 669 3H ARG 1 3H ARG 1 58.708 8.071 6.838 670 HA ARG 1 HA ARG 1 56.459 8.491 6.822 671 1HB ARG 1 1HB ARG 1 57.225 10.976 7.212 672 2HB ARG 1 2HB ARG 1 56.913 11.148 5.484 673 1HG ARG 1 1HG ARG 1 54.639 9.948 6.088 674 2HG ARG 1 2HG ARG 1 54.987 10.560 7.705 675 1HD ARG 1 1HD ARG 1 55.377 12.849 6.565 676 2HD ARG 1 2HD ARG 1 54.546 12.139 5.165 677 HE ARG 1 HE ARG 1 53.262 11.975 7.852 678 1HH1 ARG 1 1HH1 ARG 1 51.734 11.029 5.529 679 2HH1 ARG 1 2HH1 ARG 1 50.792 12.412 5.083 680 1HH2 ARG 1 1HH2 ARG 1 52.747 14.649 6.872 681 2HH2 ARG 1 2HH2 ARG 1 51.366 14.462 5.843 682 H ILE 2 H ILE 2 55.426 7.374 5.214 683 HA ILE 2 HA ILE 2 55.765 8.167 2.385 684 HB ILE 2 HB ILE 2 57.674 6.714 2.771 685 1HG1 ILE 2 1HG1 ILE 2 55.984 4.643 1.566 686 2HG1 ILE 2 2HG1 ILE 2 55.701 6.241 0.874 687 1HG2 ILE 2 1HG2 ILE 2 56.282 5.634 4.790 688 2HG2 ILE 2 2HG2 ILE 2 55.951 4.411 3.563 689 3HG2 ILE 2 3HG2 ILE 2 57.615 4.777 4.017 690 1HD1 ILE 2 1HD1 ILE 2 58.540 5.473 1.305 691 2HD1 ILE 2 2HD1 ILE 2 57.682 4.621 0.021 692 3HD1 ILE 2 3HD1 ILE 2 57.809 6.379 -0.019 693 H SER 3 H SER 3 53.399 8.561 3.020 694 HA SER 3 HA SER 3 51.572 6.526 3.740 695 1HB SER 3 1HB SER 3 51.312 9.080 3.463 696 2HB SER 3 2HB SER 3 51.023 8.743 1.758 697 HG SER 3 HG SER 3 49.630 7.239 3.653 698 H ALA 4 H ALA 4 51.746 4.543 2.654 699 HA ALA 4 HA ALA 4 52.406 4.013 -0.003 700 1HB ALA 4 1HB ALA 4 50.818 2.764 2.156 701 2HB ALA 4 2HB ALA 4 50.446 2.172 0.536 702 3HB ALA 4 3HB ALA 4 52.094 2.067 1.157 703 H ASP 5 H ASP 5 49.074 4.496 1.243 704 HA ASP 5 HA ASP 5 47.608 4.376 -1.115 705 1HB ASP 5 1HB ASP 5 47.355 6.408 1.129 706 2HB ASP 5 2HB ASP 5 46.058 5.897 0.048 707 H ALA 6 H ALA 6 49.333 7.244 0.156 708 HA ALA 6 HA ALA 6 48.707 8.862 -2.198 709 1HB ALA 6 1HB ALA 6 49.574 9.217 0.449 710 2HB ALA 6 2HB ALA 6 50.932 9.751 -0.544 711 3HB ALA 6 3HB ALA 6 49.341 10.486 -0.754 712 H MET 7 H MET 7 51.293 6.716 -1.206 713 HA MET 7 HA MET 7 53.299 7.723 -3.032 714 1HB MET 7 1HB MET 7 54.068 6.504 -1.172 715 2HB MET 7 2HB MET 7 52.855 5.244 -1.381 716 1HG MET 7 1HG MET 7 54.181 4.071 -2.791 717 2HG MET 7 2HG MET 7 54.594 5.515 -3.716 718 1HE MET 7 1HE MET 7 56.410 3.937 -3.988 719 2HE MET 7 2HE MET 7 57.651 5.174 -3.799 720 3HE MET 7 3HE MET 7 57.764 3.657 -2.896 721 H MET 8 H MET 8 50.505 5.724 -3.431 722 HA MET 8 HA MET 8 51.450 4.335 -5.831 723 1HB MET 8 1HB MET 8 49.022 4.560 -4.147 724 2HB MET 8 2HB MET 8 48.718 4.194 -5.845 725 1HG MET 8 1HG MET 8 49.031 2.051 -5.013 726 2HG MET 8 2HG MET 8 50.683 2.452 -5.480 727 1HE MET 8 1HE MET 8 52.170 3.595 -4.294 728 2HE MET 8 2HE MET 8 52.103 4.123 -2.620 729 3HE MET 8 3HE MET 8 52.799 2.554 -3.012 730 H GLN 9 H GLN 9 49.302 7.102 -5.135 731 HA GLN 9 HA GLN 9 49.006 7.725 -7.999 732 1HB GLN 9 1HB GLN 9 47.597 8.149 -5.602 733 2HB GLN 9 2HB GLN 9 48.139 9.753 -6.099 734 1HG GLN 9 1HG GLN 9 47.214 8.310 -8.410 735 2HG GLN 9 2HG GLN 9 45.973 8.257 -7.158 736 1HE2 GLN 9 2HE2 GLN 9 44.696 10.114 -6.936 737 2HE2 GLN 9 1HE2 GLN 9 45.070 11.626 -7.612 738 H ALA 10 H ALA 10 51.366 8.259 -5.669 739 HA ALA 10 HA ALA 10 52.099 10.997 -6.449 740 1HB ALA 10 1HB ALA 10 53.284 8.849 -4.673 741 2HB ALA 10 2HB ALA 10 54.018 10.440 -4.873 742 3HB ALA 10 3HB ALA 10 52.407 10.294 -4.171 743 H LEU 11 H LEU 11 53.607 7.735 -6.807 744 HA LEU 11 HA LEU 11 54.917 8.716 -9.298 745 1HB LEU 11 1HB LEU 11 57.095 7.765 -8.343 746 2HB LEU 11 2HB LEU 11 56.515 9.260 -7.608 747 HG LEU 11 HG LEU 11 55.373 6.903 -6.322 748 1HD1 LEU 11 1HD1 LEU 11 57.809 6.251 -7.151 749 2HD1 LEU 11 2HD1 LEU 11 58.302 7.247 -5.781 750 3HD1 LEU 11 3HD1 LEU 11 57.276 5.836 -5.522 751 1HD2 LEU 11 1HD2 LEU 11 57.020 9.285 -5.423 752 2HD2 LEU 11 2HD2 LEU 11 55.270 9.102 -5.315 753 3HD2 LEU 11 3HD2 LEU 11 56.325 8.104 -4.315 754 H LEU 12 H LEU 12 52.902 6.517 -8.323 755 HA LEU 12 HA LEU 12 53.630 4.526 -10.260 756 1HB LEU 12 1HB LEU 12 54.285 2.732 -8.663 757 2HB LEU 12 2HB LEU 12 55.412 4.088 -8.627 758 HG LEU 12 HG LEU 12 53.300 4.623 -6.770 759 1HD1 LEU 12 1HD1 LEU 12 53.693 1.865 -7.059 760 2HD1 LEU 12 2HD1 LEU 12 54.640 2.301 -5.637 761 3HD1 LEU 12 3HD1 LEU 12 52.917 2.673 -5.699 762 1HD2 LEU 12 1HD2 LEU 12 55.981 5.056 -6.989 763 2HD2 LEU 12 2HD2 LEU 12 55.084 5.256 -5.485 764 3HD2 LEU 12 3HD2 LEU 12 55.964 3.760 -5.794 765 H GLY 13 H GLY 13 51.357 4.808 -10.697 766 1HA GLY 13 1HA GLY 13 49.618 2.910 -9.505 767 2HA GLY 13 2HA GLY 13 49.281 4.477 -8.766 768 H ALA 14 H ALA 14 47.501 2.958 -10.523 769 HA ALA 14 HA ALA 14 46.999 5.099 -12.517 770 1HB ALA 14 1HB ALA 14 48.181 2.499 -13.051 771 2HB ALA 14 2HB ALA 14 46.661 2.687 -13.924 772 3HB ALA 14 3HB ALA 14 47.957 3.861 -14.149 773 H ARG 15 H ARG 15 44.793 5.046 -13.303 774 HA ARG 15 HA ARG 15 42.971 3.048 -12.038 775 1HB ARG 15 1HB ARG 15 42.982 6.057 -11.740 776 2HB ARG 15 2HB ARG 15 41.523 5.109 -11.450 777 1HG ARG 15 1HG ARG 15 42.394 4.083 -9.568 778 2HG ARG 15 2HG ARG 15 44.059 4.228 -10.131 779 1HD ARG 15 1HD ARG 15 44.316 6.150 -8.965 780 2HD ARG 15 2HD ARG 15 42.911 6.864 -9.780 781 HE ARG 15 HE ARG 15 42.885 5.650 -7.145 782 1HH1 ARG 15 1HH2 ARG 15 40.995 7.791 -7.951 783 2HH1 ARG 15 2HH2 ARG 15 39.499 6.934 -8.118 784 1HH2 ARG 15 1HH1 ARG 15 40.999 3.812 -8.258 785 2HH2 ARG 15 2HH1 ARG 15 39.502 4.681 -8.291 786 H ALA 16 H ALA 16 43.150 2.502 -14.499 787 HA ALA 16 HA ALA 16 40.757 3.496 -15.830 788 1HB ALA 16 1HB ALA 16 42.543 5.309 -16.083 789 2HB ALA 16 2HB ALA 16 43.433 4.162 -17.083 790 3HB ALA 16 3HB ALA 16 41.839 4.722 -17.589 791 H LYS 17 H LYS 17 43.965 2.202 -16.800 792 HA LYS 17 HA LYS 17 42.523 -0.063 -18.137 793 1HB LYS 17 1HB LYS 17 44.830 1.687 -18.793 794 2HB LYS 17 2HB LYS 17 45.012 -0.011 -19.236 795 1HG LYS 17 1HG LYS 17 42.476 1.463 -19.906 796 2HG LYS 17 2HG LYS 17 43.893 1.613 -20.946 797 1HD LYS 17 1HD LYS 17 43.952 -0.755 -21.349 798 2HD LYS 17 2HD LYS 17 42.741 -1.057 -20.103 799 1HE LYS 17 1HE LYS 17 41.283 -1.035 -21.877 800 2HE LYS 17 2HE LYS 17 41.416 0.729 -21.720 801 1HZ LYS 17 1HZ LYS 17 43.433 0.579 -23.150 802 2HZ LYS 17 2HZ LYS 17 43.052 -1.050 -23.445 803 3HZ LYS 17 3HZ LYS 17 41.990 0.172 -23.950
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