NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
583685 | 2mjg | 18939 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -5.799 21.611 -14.945 2 H2 MET 1 2H MET 1 -4.831 20.733 -13.959 3 H3 MET 1 3H MET 1 -4.310 22.160 -14.567 4 HA MET 1 HA MET 1 -5.979 23.382 -13.362 5 HB2 MET 1 2HB MET 1 -6.705 20.676 -12.167 6 HB3 MET 1 3HB MET 1 -7.215 22.240 -11.524 7 HG2 MET 1 2HG MET 1 -7.922 21.106 -14.253 8 HG3 MET 1 3HG MET 1 -8.980 21.262 -12.858 9 HE1 MET 1 3HE MET 1 -10.837 22.407 -14.315 10 HE2 MET 1 1HE MET 1 -10.548 23.807 -15.370 11 HE3 MET 1 2HE MET 1 -9.795 22.242 -15.748 12 H ASN 2 H ASN 2 -4.573 20.677 -11.400 13 HA ASN 2 HA ASN 2 -2.587 22.587 -10.260 14 HB2 ASN 2 2HB ASN 2 -4.445 20.735 -8.692 15 HB3 ASN 2 3HB ASN 2 -3.118 21.661 -8.001 16 HD21 ASN 2 1HD2 ASN 2 -3.272 24.092 -8.135 17 HD22 ASN 2 2HD2 ASN 2 -4.886 24.784 -8.133 18 H CYS 3 H CYS 3 -0.771 21.535 -9.227 19 HA CYS 3 HA CYS 3 0.210 19.264 -10.715 20 HB2 CYS 3 2HB CYS 3 1.348 20.739 -8.300 21 HB3 CYS 3 3HB CYS 3 2.225 19.560 -9.288 22 HG CYS 3 HG CYS 3 3.029 21.983 -9.911 23 H MET 4 H MET 4 0.819 17.209 -9.995 24 HA MET 4 HA MET 4 -0.818 15.967 -7.916 25 HB2 MET 4 2HB MET 4 1.233 15.031 -9.922 26 HB3 MET 4 3HB MET 4 0.897 14.018 -8.532 27 HG2 MET 4 2HG MET 4 -1.514 14.055 -9.047 28 HG3 MET 4 3HG MET 4 -1.224 15.148 -10.401 29 HE1 MET 4 3HE MET 4 -2.894 12.407 -10.555 30 HE2 MET 4 1HE MET 4 -2.682 13.524 -11.923 31 HE3 MET 4 2HE MET 4 -2.341 11.793 -12.128 32 H THR 5 H THR 5 -0.426 16.080 -5.847 33 HA THR 5 HA THR 5 2.298 15.665 -4.770 34 HB THR 5 HB THR 5 1.801 18.108 -4.956 35 HG1 THR 5 HG1 THR 5 2.563 18.479 -2.863 36 HG21 THR 5 3HG2 THR 5 0.329 19.191 -3.351 37 HG22 THR 5 1HG2 THR 5 -0.199 17.627 -2.698 38 HG23 THR 5 2HG2 THR 5 -0.624 18.094 -4.361 39 H CYS 6 H CYS 6 2.329 14.880 -2.609 40 HA CYS 6 HA CYS 6 0.289 13.065 -1.886 41 HB2 CYS 6 2HB CYS 6 2.735 12.947 -1.265 42 HB3 CYS 6 3HB CYS 6 2.450 14.270 -0.152 43 HG CYS 6 HG CYS 6 2.473 12.230 1.330 44 H GLN 7 H GLN 7 -1.731 13.410 -1.013 45 HA GLN 7 HA GLN 7 -2.249 15.944 0.378 46 HB2 GLN 7 2HB GLN 7 -3.842 14.729 -1.160 47 HB3 GLN 7 3HB GLN 7 -4.143 13.598 0.176 48 HG2 GLN 7 2HG GLN 7 -4.940 15.479 1.583 49 HG3 GLN 7 3HG GLN 7 -4.492 16.638 0.332 50 HE21 GLN 7 1HE2 GLN 7 -6.962 14.383 1.414 51 HE22 GLN 7 2HE2 GLN 7 -8.079 14.732 0.103 52 H VAL 8 H VAL 8 -0.991 12.956 1.422 53 HA VAL 8 HA VAL 8 -1.905 13.236 4.235 54 HB VAL 8 HB VAL 8 -0.321 11.060 2.835 55 HG11 VAL 8 1HG1 VAL 8 -0.826 9.672 4.838 56 HG12 VAL 8 2HG1 VAL 8 0.278 10.996 5.197 57 HG13 VAL 8 3HG1 VAL 8 -1.435 11.121 5.668 58 HG21 VAL 8 3HG2 VAL 8 -2.659 11.118 2.086 59 HG22 VAL 8 1HG2 VAL 8 -2.440 9.748 3.177 60 HG23 VAL 8 2HG2 VAL 8 -3.225 11.222 3.768 61 H THR 9 H THR 9 0.880 13.926 2.321 62 HA THR 9 HA THR 9 2.440 14.703 4.774 63 HB THR 9 HB THR 9 4.497 13.940 3.879 64 HG1 THR 9 HG1 THR 9 4.653 12.967 1.898 65 HG21 THR 9 3HG2 THR 9 4.216 11.539 3.805 66 HG22 THR 9 1HG2 THR 9 2.503 11.686 3.372 67 HG23 THR 9 2HG2 THR 9 3.067 12.187 4.984 68 H GLY 10 H GLY 10 1.913 15.259 1.351 69 HA2 GLY 10 2HA GLY 10 1.672 17.548 0.442 70 HA3 GLY 10 3HA GLY 10 2.738 18.143 1.700 71 H GLU 11 H GLU 11 4.089 15.259 0.575 72 HA GLU 11 HA GLU 11 6.097 16.669 -1.015 73 HB2 GLU 11 2HB GLU 11 5.708 13.826 -0.057 74 HB3 GLU 11 3HB GLU 11 7.002 14.244 -1.191 75 HG2 GLU 11 2HG GLU 11 6.590 15.649 1.459 76 HG3 GLU 11 3HG GLU 11 7.627 14.231 1.256 77 H VAL 12 H VAL 12 6.667 16.378 -3.035 78 HA VAL 12 HA VAL 12 4.739 15.109 -4.946 79 HB VAL 12 HB VAL 12 4.358 17.355 -5.323 80 HG11 VAL 12 1HG1 VAL 12 6.090 19.072 -5.749 81 HG12 VAL 12 2HG1 VAL 12 6.169 18.441 -4.106 82 HG13 VAL 12 3HG1 VAL 12 7.353 17.900 -5.319 83 HG21 VAL 12 3HG2 VAL 12 5.071 17.774 -7.567 84 HG22 VAL 12 1HG2 VAL 12 6.512 16.756 -7.391 85 HG23 VAL 12 2HG2 VAL 12 4.897 16.020 -7.413 86 H SER 13 H SER 13 5.503 13.661 -6.308 87 HA SER 13 HA SER 13 8.421 13.736 -6.981 88 HB2 SER 13 2HB SER 13 7.876 11.920 -5.291 89 HB3 SER 13 3HB SER 13 6.984 11.110 -6.596 90 HG SER 13 HG SER 13 9.148 10.414 -6.541 91 H ASP 14 H ASP 14 9.077 12.774 -8.892 92 HA ASP 14 HA ASP 14 7.504 13.373 -11.204 93 HB2 ASP 14 2HB ASP 14 9.991 11.646 -11.159 94 HB3 ASP 14 3HB ASP 14 9.429 12.711 -12.441 95 H ASP 15 H ASP 15 8.051 10.421 -9.411 96 HA ASP 15 HA ASP 15 6.017 9.061 -11.096 97 HB2 ASP 15 2HB ASP 15 8.306 8.090 -11.480 98 HB3 ASP 15 3HB ASP 15 8.310 7.557 -9.797 99 H ASN 16 H ASN 16 5.048 10.549 -9.348 100 HA ASN 16 HA ASN 16 4.890 9.757 -6.644 101 HB2 ASN 16 2HB ASN 16 2.808 11.133 -6.610 102 HB3 ASN 16 3HB ASN 16 4.207 11.946 -7.274 103 HD21 ASN 16 1HD2 ASN 16 4.097 12.779 -9.351 104 HD22 ASN 16 2HD2 ASN 16 2.688 12.543 -10.392 105 H LEU 17 H LEU 17 3.448 8.697 -5.446 106 HA LEU 17 HA LEU 17 2.481 6.198 -6.567 107 HB2 LEU 17 2HB LEU 17 2.874 7.144 -3.677 108 HB3 LEU 17 3HB LEU 17 2.611 5.486 -4.191 109 HG LEU 17 HG LEU 17 5.006 7.202 -4.976 110 HD11 LEU 17 1HD1 LEU 17 5.062 6.732 -2.637 111 HD12 LEU 17 2HD1 LEU 17 6.317 5.785 -3.465 112 HD13 LEU 17 3HD1 LEU 17 4.815 5.037 -2.914 113 HD21 LEU 17 3HD2 LEU 17 5.834 4.739 -5.493 114 HD22 LEU 17 1HD2 LEU 17 4.971 5.704 -6.699 115 HD23 LEU 17 2HD2 LEU 17 4.113 4.464 -5.784 116 H LYS 18 H LYS 18 0.467 5.203 -5.639 117 HA LYS 18 HA LYS 18 -1.657 7.213 -5.150 118 HB2 LYS 18 2HB LYS 18 -1.840 5.125 -7.358 119 HB3 LYS 18 3HB LYS 18 -3.165 6.100 -6.721 120 HG2 LYS 18 2HG LYS 18 -2.711 7.275 -8.570 121 HG3 LYS 18 3HG LYS 18 -1.827 8.172 -7.343 122 HD2 LYS 18 2HD LYS 18 0.287 7.084 -8.131 123 HD3 LYS 18 3HD LYS 18 -0.641 6.178 -9.337 124 HE2 LYS 18 2HE LYS 18 -1.304 8.289 -10.423 125 HE3 LYS 18 3HE LYS 18 -0.509 9.219 -9.142 126 HZ1 LYS 18 3HZ LYS 18 0.898 7.445 -11.051 127 HZ2 LYS 18 1HZ LYS 18 1.603 8.244 -9.800 128 HZ3 LYS 18 2HZ LYS 18 0.937 9.087 -11.028 129 H LEU 19 H LEU 19 -3.556 6.530 -4.244 130 HA LEU 19 HA LEU 19 -3.110 4.830 -2.022 131 HB2 LEU 19 2HB LEU 19 -4.457 6.970 -2.256 132 HB3 LEU 19 3HB LEU 19 -5.756 6.038 -2.951 133 HG LEU 19 HG LEU 19 -4.813 5.060 -0.267 134 HD11 LEU 19 1HD1 LEU 19 -4.566 7.476 0.082 135 HD12 LEU 19 2HD1 LEU 19 -5.967 6.853 0.959 136 HD13 LEU 19 3HD1 LEU 19 -6.199 7.758 -0.555 137 HD21 LEU 19 3HD2 LEU 19 -7.602 5.918 -1.141 138 HD22 LEU 19 1HD2 LEU 19 -7.153 4.818 0.169 139 HD23 LEU 19 2HD2 LEU 19 -6.970 4.314 -1.521 140 H ALA 20 H ALA 20 -5.060 3.316 -1.235 141 HA ALA 20 HA ALA 20 -4.704 0.853 -2.607 142 HB1 ALA 20 3HB ALA 20 -5.072 1.076 -0.177 143 HB2 ALA 20 1HB ALA 20 -6.745 1.603 -0.483 144 HB3 ALA 20 2HB ALA 20 -6.224 -0.041 -0.921 145 H GLY 21 H GLY 21 -6.988 -0.568 -2.946 146 HA2 GLY 21 2HA GLY 21 -9.061 0.867 -4.329 147 HA3 GLY 21 3HA GLY 21 -8.011 -0.013 -5.449 148 H GLY 22 H GLY 22 -7.443 -2.297 -4.537 149 HA2 GLY 22 2HA GLY 22 -8.063 -3.882 -2.774 150 HA3 GLY 22 3HA GLY 22 -9.753 -3.676 -3.178 151 H LYS 23 H LYS 23 -6.744 -4.285 -5.006 152 HA LYS 23 HA LYS 23 -8.253 -5.561 -7.130 153 HB2 LYS 23 2HB LYS 23 -6.465 -3.929 -7.463 154 HB3 LYS 23 3HB LYS 23 -5.273 -5.051 -6.817 155 HG2 LYS 23 2HG LYS 23 -5.711 -6.625 -8.645 156 HG3 LYS 23 3HG LYS 23 -6.958 -5.550 -9.297 157 HD2 LYS 23 2HD LYS 23 -3.972 -4.969 -9.053 158 HD3 LYS 23 3HD LYS 23 -4.814 -5.380 -10.538 159 HE2 LYS 23 2HE LYS 23 -5.292 -2.858 -8.877 160 HE3 LYS 23 3HE LYS 23 -4.269 -2.958 -10.306 161 HZ1 LYS 23 3HZ LYS 23 -6.458 -2.144 -10.902 162 HZ2 LYS 23 1HZ LYS 23 -7.198 -3.466 -10.299 163 HZ3 LYS 23 2HZ LYS 23 -6.229 -3.592 -11.610 164 H LEU 24 H LEU 24 -6.094 -6.893 -4.682 165 HA LEU 24 HA LEU 24 -7.158 -9.558 -5.073 166 HB2 LEU 24 2HB LEU 24 -5.226 -9.344 -6.754 167 HB3 LEU 24 3HB LEU 24 -4.143 -9.162 -5.374 168 HG LEU 24 HG LEU 24 -4.690 -11.442 -4.607 169 HD11 LEU 24 1HD1 LEU 24 -7.018 -11.714 -5.376 170 HD12 LEU 24 2HD1 LEU 24 -6.004 -12.967 -6.083 171 HD13 LEU 24 3HD1 LEU 24 -6.491 -11.572 -7.068 172 HD21 LEU 24 3HD2 LEU 24 -2.861 -11.131 -6.204 173 HD22 LEU 24 1HD2 LEU 24 -3.994 -11.295 -7.565 174 HD23 LEU 24 2HD2 LEU 24 -3.692 -12.672 -6.488 175 H VAL 25 H VAL 25 -6.384 -11.049 -3.253 176 HA VAL 25 HA VAL 25 -6.189 -9.459 -0.787 177 HB VAL 25 HB VAL 25 -6.817 -12.382 -1.284 178 HG11 VAL 25 1HG1 VAL 25 -5.579 -12.350 0.829 179 HG12 VAL 25 2HG1 VAL 25 -6.502 -10.925 1.373 180 HG13 VAL 25 3HG1 VAL 25 -7.293 -12.498 1.173 181 HG21 VAL 25 3HG2 VAL 25 -8.387 -10.059 -0.079 182 HG22 VAL 25 1HG2 VAL 25 -8.644 -10.748 -1.702 183 HG23 VAL 25 2HG2 VAL 25 -8.978 -11.717 -0.255 184 H LEU 26 H LEU 26 -4.669 -9.299 0.486 185 HA LEU 26 HA LEU 26 -2.253 -11.032 0.536 186 HB2 LEU 26 2HB LEU 26 -2.279 -8.008 0.350 187 HB3 LEU 26 3HB LEU 26 -0.949 -8.921 1.039 188 HG LEU 26 HG LEU 26 -0.924 -10.280 -1.171 189 HD11 LEU 26 1HD1 LEU 26 -2.268 -7.687 -2.121 190 HD12 LEU 26 2HD1 LEU 26 -2.993 -9.280 -2.269 191 HD13 LEU 26 3HD1 LEU 26 -1.558 -8.931 -3.187 192 HD21 LEU 26 3HD2 LEU 26 0.952 -9.037 -0.831 193 HD22 LEU 26 1HD2 LEU 26 0.062 -7.499 -0.744 194 HD23 LEU 26 2HD2 LEU 26 0.374 -8.290 -2.301 195 H SER 27 H SER 27 -1.097 -10.997 2.704 196 HA SER 27 HA SER 27 -2.920 -10.200 4.930 197 HB2 SER 27 2HB SER 27 -2.039 -12.598 4.743 198 HB3 SER 27 3HB SER 27 -0.456 -11.915 5.159 199 HG SER 27 HG SER 27 -1.658 -12.548 7.036 200 H LYS 28 H LYS 28 -1.163 -9.767 6.867 201 HA LYS 28 HA LYS 28 -0.381 -7.064 6.645 202 HB2 LYS 28 2HB LYS 28 -0.508 -8.903 8.646 203 HB3 LYS 28 3HB LYS 28 1.235 -8.873 8.427 204 HG2 LYS 28 2HG LYS 28 1.157 -6.375 8.751 205 HG3 LYS 28 3HG LYS 28 -0.584 -6.495 9.031 206 HD2 LYS 28 2HD LYS 28 -0.089 -8.060 10.957 207 HD3 LYS 28 3HD LYS 28 1.640 -7.776 10.682 208 HE2 LYS 28 2HE LYS 28 1.259 -5.321 11.057 209 HE3 LYS 28 3HE LYS 28 -0.445 -5.660 11.398 210 HZ1 LYS 28 3HZ LYS 28 1.883 -6.642 12.970 211 HZ2 LYS 28 1HZ LYS 28 0.344 -7.105 13.254 212 HZ3 LYS 28 2HZ LYS 28 0.778 -5.548 13.475 213 H GLU 29 H GLU 29 1.558 -9.934 6.042 214 HA GLU 29 HA GLU 29 4.021 -8.430 5.597 215 HB2 GLU 29 2HB GLU 29 3.376 -11.354 5.230 216 HB3 GLU 29 3HB GLU 29 4.974 -10.636 4.982 217 HG2 GLU 29 2HG GLU 29 4.927 -9.793 7.346 218 HG3 GLU 29 3HG GLU 29 3.406 -10.651 7.596 219 H GLY 30 H GLY 30 1.517 -9.961 3.513 220 HA2 GLY 30 2HA GLY 30 2.844 -9.494 1.012 221 HA3 GLY 30 3HA GLY 30 1.114 -9.711 1.313 222 H ALA 31 H ALA 31 0.527 -7.475 2.971 223 HA ALA 31 HA ALA 31 0.313 -5.426 1.002 224 HB1 ALA 31 3HB ALA 31 -1.297 -5.791 2.873 225 HB2 ALA 31 1HB ALA 31 -0.075 -5.166 4.014 226 HB3 ALA 31 2HB ALA 31 -0.754 -4.115 2.767 227 H GLU 32 H GLU 32 2.481 -5.792 3.861 228 HA GLU 32 HA GLU 32 3.859 -3.310 3.224 229 HB2 GLU 32 2HB GLU 32 5.569 -3.798 4.698 230 HB3 GLU 32 3HB GLU 32 4.028 -4.304 5.392 231 HG2 GLU 32 2HG GLU 32 4.510 -6.596 4.954 232 HG3 GLU 32 3HG GLU 32 5.956 -6.220 4.011 233 H GLN 33 H GLN 33 4.226 -6.616 1.873 234 HA GLN 33 HA GLN 33 6.699 -5.977 0.530 235 HB2 GLN 33 2HB GLN 33 5.913 -8.318 0.852 236 HB3 GLN 33 3HB GLN 33 4.608 -8.014 -0.299 237 HG2 GLN 33 2HG GLN 33 6.481 -9.171 -1.387 238 HG3 GLN 33 3HG GLN 33 6.224 -7.589 -2.100 239 HE21 GLN 33 1HE2 GLN 33 8.340 -7.023 -2.816 240 HE22 GLN 33 2HE2 GLN 33 9.732 -7.088 -1.741 241 H ILE 34 H ILE 34 3.224 -5.440 -0.285 242 HA ILE 34 HA ILE 34 3.727 -4.345 -2.913 243 HB ILE 34 HB ILE 34 1.611 -3.293 -1.056 244 HG12 ILE 34 2HG1 ILE 34 1.274 -5.627 -2.987 245 HG13 ILE 34 3HG1 ILE 34 1.478 -5.805 -1.252 246 HG21 ILE 34 1HG2 ILE 34 0.556 -2.603 -3.162 247 HG22 ILE 34 2HG2 ILE 34 2.240 -2.125 -3.278 248 HG23 ILE 34 3HG2 ILE 34 1.715 -3.574 -4.108 249 HD11 ILE 34 3HD1 ILE 34 -0.535 -4.474 -0.800 250 HD12 ILE 34 1HD1 ILE 34 -0.775 -4.216 -2.531 251 HD13 ILE 34 2HD1 ILE 34 -0.922 -5.839 -1.866 252 H ILE 35 H ILE 35 3.773 -2.805 0.391 253 HA ILE 35 HA ILE 35 4.473 -0.260 -0.592 254 HB ILE 35 HB ILE 35 4.440 -1.413 2.010 255 HG12 ILE 35 2HG1 ILE 35 3.218 0.565 1.284 256 HG13 ILE 35 3HG1 ILE 35 4.265 0.946 2.669 257 HG21 ILE 35 1HG2 ILE 35 6.980 0.231 1.695 258 HG22 ILE 35 2HG2 ILE 35 6.211 -0.254 3.214 259 HG23 ILE 35 3HG2 ILE 35 6.876 -1.484 2.150 260 HD11 ILE 35 3HD1 ILE 35 4.089 2.679 0.850 261 HD12 ILE 35 1HD1 ILE 35 5.696 2.271 1.449 262 HD13 ILE 35 2HD1 ILE 35 5.108 1.671 -0.137 263 H SER 36 H SER 36 6.594 -2.999 -0.063 264 HA SER 36 HA SER 36 9.040 -1.591 -0.700 265 HB2 SER 36 2HB SER 36 8.865 -3.897 0.348 266 HB3 SER 36 3HB SER 36 8.490 -4.529 -1.269 267 HG SER 36 HG SER 36 10.764 -4.581 -0.688 268 H GLU 37 H GLU 37 6.658 -3.342 -2.798 269 HA GLU 37 HA GLU 37 8.066 -2.767 -5.257 270 HB2 GLU 37 2HB GLU 37 5.057 -3.078 -4.973 271 HB3 GLU 37 3HB GLU 37 6.026 -3.261 -6.422 272 HG2 GLU 37 2HG GLU 37 5.800 -5.125 -4.062 273 HG3 GLU 37 3HG GLU 37 5.402 -5.432 -5.733 274 H ILE 38 H ILE 38 5.440 -0.964 -3.592 275 HA ILE 38 HA ILE 38 5.097 1.057 -5.540 276 HB ILE 38 HB ILE 38 4.437 0.724 -2.598 277 HG12 ILE 38 2HG1 ILE 38 2.721 1.077 -5.116 278 HG13 ILE 38 3HG1 ILE 38 3.184 -0.484 -4.462 279 HG21 ILE 38 1HG2 ILE 38 3.069 2.742 -2.647 280 HG22 ILE 38 2HG2 ILE 38 4.802 2.994 -2.625 281 HG23 ILE 38 3HG2 ILE 38 3.867 3.206 -4.144 282 HD11 ILE 38 3HD1 ILE 38 1.331 1.565 -3.169 283 HD12 ILE 38 1HD1 ILE 38 0.938 -0.051 -3.749 284 HD13 ILE 38 2HD1 ILE 38 1.966 0.140 -2.311 285 H GLN 39 H GLN 39 6.970 1.227 -2.490 286 HA GLN 39 HA GLN 39 8.066 3.829 -3.027 287 HB2 GLN 39 2HB GLN 39 8.955 1.558 -1.199 288 HB3 GLN 39 3HB GLN 39 9.810 3.085 -1.395 289 HG2 GLN 39 2HG GLN 39 7.569 4.242 -0.742 290 HG3 GLN 39 3HG GLN 39 7.068 2.671 -0.163 291 HE21 GLN 39 1HE2 GLN 39 7.486 5.109 1.401 292 HE22 GLN 39 2HE2 GLN 39 8.662 4.683 2.620 293 H ASN 40 H ASN 40 9.160 0.532 -3.898 294 HA ASN 40 HA ASN 40 11.648 1.402 -5.090 295 HB2 ASN 40 2HB ASN 40 11.252 -0.921 -4.506 296 HB3 ASN 40 3HB ASN 40 9.917 -1.025 -5.653 297 HD21 ASN 40 1HD2 ASN 40 10.437 -1.797 -7.684 298 HD22 ASN 40 2HD2 ASN 40 12.074 -1.831 -8.320 299 H GLN 41 H GLN 41 8.274 1.333 -6.499 300 HA GLN 41 HA GLN 41 9.194 1.943 -9.169 301 HB2 GLN 41 2HB GLN 41 6.514 2.450 -7.796 302 HB3 GLN 41 3HB GLN 41 6.871 2.812 -9.489 303 HG2 GLN 41 2HG GLN 41 7.542 0.394 -9.790 304 HG3 GLN 41 3HG GLN 41 6.923 0.060 -8.197 305 HE21 GLN 41 1HE2 GLN 41 5.771 -1.423 -10.090 306 HE22 GLN 41 2HE2 GLN 41 4.162 -0.818 -10.460 307 H LEU 42 H LEU 42 8.086 4.017 -6.417 308 HA LEU 42 HA LEU 42 8.659 6.463 -7.777 309 HB2 LEU 42 2HB LEU 42 7.370 6.228 -5.735 310 HB3 LEU 42 3HB LEU 42 8.802 5.927 -4.778 311 HG LEU 42 HG LEU 42 8.699 8.455 -6.472 312 HD11 LEU 42 1HD1 LEU 42 7.660 9.628 -4.462 313 HD12 LEU 42 2HD1 LEU 42 7.215 8.011 -3.874 314 HD13 LEU 42 3HD1 LEU 42 6.585 8.616 -5.428 315 HD21 LEU 42 3HD2 LEU 42 9.936 9.387 -4.487 316 HD22 LEU 42 1HD2 LEU 42 10.780 8.024 -5.206 317 HD23 LEU 42 2HD2 LEU 42 9.846 7.786 -3.727 318 H GLN 43 H GLN 43 10.835 4.307 -5.988 319 HA GLN 43 HA GLN 43 13.000 6.297 -5.919 320 HB2 GLN 43 2HB GLN 43 12.625 4.571 -4.170 321 HB3 GLN 43 3HB GLN 43 13.064 3.311 -5.326 322 HG2 GLN 43 2HG GLN 43 14.920 3.840 -3.809 323 HG3 GLN 43 3HG GLN 43 15.357 4.219 -5.467 324 HE21 GLN 43 1HE2 GLN 43 15.666 6.473 -6.053 325 HE22 GLN 43 2HE2 GLN 43 15.766 7.710 -4.798 326 H ASN 44 H ASN 44 12.184 3.658 -8.161 327 HA ASN 44 HA ASN 44 14.807 3.738 -9.416 328 HB2 ASN 44 2HB ASN 44 14.287 1.795 -10.361 329 HB3 ASN 44 3HB ASN 44 13.095 1.721 -9.086 330 HD21 ASN 44 1HD2 ASN 44 10.949 3.331 -10.182 331 HD22 ASN 44 2HD2 ASN 44 10.488 2.576 -11.693 332 H LEU 45 H LEU 45 12.586 6.049 -9.659 333 HA LEU 45 HA LEU 45 13.379 6.765 -12.409 334 HB2 LEU 45 2HB LEU 45 11.226 5.548 -12.577 335 HB3 LEU 45 3HB LEU 45 10.467 6.739 -11.529 336 HG LEU 45 HG LEU 45 10.705 8.475 -13.231 337 HD11 LEU 45 1HD1 LEU 45 12.255 6.411 -14.853 338 HD12 LEU 45 2HD1 LEU 45 12.875 7.958 -14.226 339 HD13 LEU 45 3HD1 LEU 45 11.644 7.956 -15.486 340 HD21 LEU 45 3HD2 LEU 45 9.331 7.541 -15.012 341 HD22 LEU 45 1HD2 LEU 45 8.810 6.889 -13.452 342 HD23 LEU 45 2HD2 LEU 45 9.788 5.887 -14.542 343 H LYS 46 H LYS 46 14.718 7.833 -10.598 344 HA LYS 46 HA LYS 46 13.712 10.612 -10.146 345 HB2 LYS 46 2HB LYS 46 15.580 8.975 -8.381 346 HB3 LYS 46 3HB LYS 46 15.183 10.668 -8.138 347 HG2 LYS 46 2HG LYS 46 13.256 8.318 -7.974 348 HG3 LYS 46 3HG LYS 46 13.935 9.188 -6.610 349 HD2 LYS 46 2HD LYS 46 12.046 10.404 -8.679 350 HD3 LYS 46 3HD LYS 46 11.587 9.820 -7.081 351 HE2 LYS 46 2HE LYS 46 13.011 11.471 -5.988 352 HE3 LYS 46 3HE LYS 46 13.634 12.031 -7.547 353 HZ1 LYS 46 3HZ LYS 46 11.485 12.861 -8.127 354 HZ2 LYS 46 1HZ LYS 46 11.816 13.432 -6.632 355 HZ3 LYS 46 2HZ LYS 46 10.762 12.183 -6.823 356 H1 MET 1 1H MET 1 -13.193 -25.543 -3.936 357 H2 MET 1 2H MET 1 -13.960 -26.646 -3.001 358 H3 MET 1 3H MET 1 -12.322 -26.590 -3.031 359 HA MET 1 HA MET 1 -14.077 -24.467 -1.997 360 HB2 MET 1 2HB MET 1 -14.026 -26.519 -0.570 361 HB3 MET 1 3HB MET 1 -12.273 -26.364 -0.429 362 HG2 MET 1 2HG MET 1 -13.461 -25.500 1.539 363 HG3 MET 1 3HG MET 1 -12.520 -24.240 0.753 364 HE1 MET 1 3HE MET 1 -13.770 -22.410 2.175 365 HE2 MET 1 1HE MET 1 -15.538 -22.264 2.277 366 HE3 MET 1 2HE MET 1 -14.725 -23.682 2.974 367 H ASN 2 H ASN 2 -13.045 -22.592 -1.206 368 HA ASN 2 HA ASN 2 -10.123 -22.320 -1.495 369 HB2 ASN 2 2HB ASN 2 -10.250 -20.344 -2.880 370 HB3 ASN 2 3HB ASN 2 -11.049 -21.666 -3.709 371 HD21 ASN 2 1HD2 ASN 2 -13.204 -21.344 -4.364 372 HD22 ASN 2 2HD2 ASN 2 -14.119 -19.909 -3.924 373 H CYS 3 H CYS 3 -9.340 -20.224 -0.589 374 HA CYS 3 HA CYS 3 -11.075 -18.908 1.397 375 HB2 CYS 3 2HB CYS 3 -10.043 -20.972 2.475 376 HB3 CYS 3 3HB CYS 3 -8.452 -20.232 2.222 377 HG CYS 3 HG CYS 3 -9.218 -19.970 4.741 378 H MET 4 H MET 4 -10.141 -16.919 2.214 379 HA MET 4 HA MET 4 -8.580 -15.482 0.219 380 HB2 MET 4 2HB MET 4 -10.022 -14.755 2.767 381 HB3 MET 4 3HB MET 4 -8.763 -13.691 2.189 382 HG2 MET 4 2HG MET 4 -10.760 -12.894 1.226 383 HG3 MET 4 3HG MET 4 -9.874 -13.689 -0.076 384 HE1 MET 4 3HE MET 4 -13.593 -14.260 -1.125 385 HE2 MET 4 1HE MET 4 -12.896 -12.826 -0.338 386 HE3 MET 4 2HE MET 4 -11.992 -13.667 -1.619 387 H THR 5 H THR 5 -6.548 -16.080 0.032 388 HA THR 5 HA THR 5 -4.724 -15.832 2.388 389 HB THR 5 HB THR 5 -5.034 -18.182 1.715 390 HG1 THR 5 HG1 THR 5 -2.852 -18.592 1.696 391 HG21 THR 5 3HG2 THR 5 -4.023 -19.023 -0.362 392 HG22 THR 5 1HG2 THR 5 -3.648 -17.372 -0.899 393 HG23 THR 5 2HG2 THR 5 -5.336 -17.905 -0.752 394 H CYS 6 H CYS 6 -2.683 -15.012 2.026 395 HA CYS 6 HA CYS 6 -2.444 -12.934 0.106 396 HB2 CYS 6 2HB CYS 6 -1.324 -12.976 2.376 397 HB3 CYS 6 3HB CYS 6 -0.315 -14.284 1.791 398 HG CYS 6 HG CYS 6 1.198 -12.283 1.672 399 H GLN 7 H GLN 7 -2.048 -13.034 -2.045 400 HA GLN 7 HA GLN 7 -0.927 -15.430 -3.223 401 HB2 GLN 7 2HB GLN 7 -2.617 -14.044 -4.299 402 HB3 GLN 7 3HB GLN 7 -1.496 -12.681 -4.377 403 HG2 GLN 7 2HG GLN 7 -1.658 -13.728 -6.562 404 HG3 GLN 7 3HG GLN 7 -0.043 -13.938 -5.944 405 HE21 GLN 7 1HE2 GLN 7 -0.038 -15.662 -7.704 406 HE22 GLN 7 2HE2 GLN 7 -0.680 -17.243 -7.277 407 H VAL 8 H VAL 8 0.600 -12.703 -1.801 408 HA VAL 8 HA VAL 8 3.137 -13.031 -3.319 409 HB VAL 8 HB VAL 8 2.246 -10.917 -1.332 410 HG11 VAL 8 1HG1 VAL 8 4.720 -11.025 -3.104 411 HG12 VAL 8 2HG1 VAL 8 4.143 -9.581 -2.243 412 HG13 VAL 8 3HG1 VAL 8 4.679 -10.986 -1.324 413 HG21 VAL 8 3HG2 VAL 8 0.956 -10.775 -3.420 414 HG22 VAL 8 1HG2 VAL 8 2.140 -9.469 -3.386 415 HG23 VAL 8 2HG2 VAL 8 2.446 -10.905 -4.381 416 H THR 9 H THR 9 1.826 -13.831 -0.226 417 HA THR 9 HA THR 9 4.502 -14.813 0.730 418 HB THR 9 HB THR 9 4.062 -14.204 2.977 419 HG1 THR 9 HG1 THR 9 2.191 -13.210 3.610 420 HG21 THR 9 3HG2 THR 9 3.256 -11.784 1.308 421 HG22 THR 9 1HG2 THR 9 4.929 -12.351 1.523 422 HG23 THR 9 2HG2 THR 9 3.996 -11.787 2.919 423 H GLY 10 H GLY 10 1.020 -15.277 0.779 424 HA2 GLY 10 2HA GLY 10 -0.038 -17.459 0.662 425 HA3 GLY 10 3HA GLY 10 1.401 -18.201 1.344 426 H GLU 11 H GLU 11 0.699 -15.401 3.154 427 HA GLU 11 HA GLU 11 -0.461 -16.942 5.343 428 HB2 GLU 11 2HB GLU 11 0.374 -14.059 4.952 429 HB3 GLU 11 3HB GLU 11 -0.514 -14.557 6.395 430 HG2 GLU 11 2HG GLU 11 2.104 -15.733 5.425 431 HG3 GLU 11 3HG GLU 11 1.918 -14.564 6.742 432 H VAL 12 H VAL 12 -2.318 -16.762 6.309 433 HA VAL 12 HA VAL 12 -4.622 -15.503 4.866 434 HB VAL 12 HB VAL 12 -4.898 -17.665 4.194 435 HG11 VAL 12 1HG1 VAL 12 -4.835 -19.684 5.621 436 HG12 VAL 12 2HG1 VAL 12 -3.268 -18.883 5.523 437 HG13 VAL 12 3HG1 VAL 12 -4.267 -18.699 6.984 438 HG21 VAL 12 3HG2 VAL 12 -6.918 -18.462 5.174 439 HG22 VAL 12 1HG2 VAL 12 -6.568 -17.698 6.734 440 HG23 VAL 12 2HG2 VAL 12 -6.957 -16.698 5.325 441 H SER 13 H SER 13 -5.395 -13.930 6.040 442 HA SER 13 HA SER 13 -5.836 -14.278 8.959 443 HB2 SER 13 2HB SER 13 -5.761 -11.679 8.754 444 HB3 SER 13 3HB SER 13 -4.249 -12.600 8.683 445 HG SER 13 HG SER 13 -3.927 -11.783 6.808 446 H ASP 14 H ASP 14 -7.776 -13.467 9.866 447 HA ASP 14 HA ASP 14 -10.122 -13.665 8.168 448 HB2 ASP 14 2HB ASP 14 -10.004 -12.705 11.036 449 HB3 ASP 14 3HB ASP 14 -11.398 -13.348 10.178 450 H ASP 15 H ASP 15 -8.227 -10.997 9.376 451 HA ASP 15 HA ASP 15 -10.146 -8.936 8.553 452 HB2 ASP 15 2HB ASP 15 -7.473 -8.594 9.929 453 HB3 ASP 15 3HB ASP 15 -8.808 -7.468 9.857 454 H ASN 16 H ASN 16 -8.740 -10.570 6.496 455 HA ASN 16 HA ASN 16 -6.223 -9.705 5.817 456 HB2 ASN 16 2HB ASN 16 -6.617 -10.865 3.635 457 HB3 ASN 16 3HB ASN 16 -6.953 -11.795 5.069 458 HD21 ASN 16 1HD2 ASN 16 -8.955 -12.716 5.295 459 HD22 ASN 16 2HD2 ASN 16 -10.322 -12.360 4.233 460 H LEU 17 H LEU 17 -5.219 -8.629 4.269 461 HA LEU 17 HA LEU 17 -6.300 -6.046 3.562 462 HB2 LEU 17 2HB LEU 17 -3.460 -7.199 3.318 463 HB3 LEU 17 3HB LEU 17 -3.899 -5.505 3.214 464 HG LEU 17 HG LEU 17 -4.212 -7.271 5.673 465 HD11 LEU 17 1HD1 LEU 17 -2.225 -5.147 4.964 466 HD12 LEU 17 2HD1 LEU 17 -1.926 -6.843 5.138 467 HD13 LEU 17 3HD1 LEU 17 -2.359 -5.877 6.560 468 HD21 LEU 17 3HD2 LEU 17 -5.830 -5.712 6.138 469 HD22 LEU 17 1HD2 LEU 17 -5.196 -4.523 4.992 470 HD23 LEU 17 2HD2 LEU 17 -4.426 -4.720 6.557 471 H LYS 18 H LYS 18 -5.856 -5.020 1.478 472 HA LYS 18 HA LYS 18 -5.815 -6.921 -0.793 473 HB2 LYS 18 2HB LYS 18 -7.959 -4.792 -0.455 474 HB3 LYS 18 3HB LYS 18 -7.598 -5.694 -1.927 475 HG2 LYS 18 2HG LYS 18 -9.377 -6.864 -1.193 476 HG3 LYS 18 3HG LYS 18 -8.038 -7.836 -0.590 477 HD2 LYS 18 2HD LYS 18 -8.371 -6.823 1.671 478 HD3 LYS 18 3HD LYS 18 -9.686 -5.829 1.029 479 HE2 LYS 18 2HE LYS 18 -10.977 -7.864 0.506 480 HE3 LYS 18 3HE LYS 18 -9.615 -8.876 1.019 481 HZ1 LYS 18 3HZ LYS 18 -9.822 -7.939 3.245 482 HZ2 LYS 18 1HZ LYS 18 -11.187 -8.718 2.803 483 HZ3 LYS 18 2HZ LYS 18 -11.151 -7.077 2.805 484 H LEU 19 H LEU 19 -5.235 -6.200 -2.757 485 HA LEU 19 HA LEU 19 -3.018 -4.404 -2.683 486 HB2 LEU 19 2HB LEU 19 -3.289 -6.633 -3.865 487 HB3 LEU 19 3HB LEU 19 -4.211 -5.838 -5.095 488 HG LEU 19 HG LEU 19 -1.550 -4.564 -4.584 489 HD11 LEU 19 1HD1 LEU 19 -0.292 -6.350 -5.738 490 HD12 LEU 19 2HD1 LEU 19 -1.726 -7.405 -5.650 491 HD13 LEU 19 3HD1 LEU 19 -0.909 -6.867 -4.165 492 HD21 LEU 19 3HD2 LEU 19 -2.793 -5.709 -7.116 493 HD22 LEU 19 1HD2 LEU 19 -1.408 -4.604 -7.010 494 HD23 LEU 19 2HD2 LEU 19 -3.022 -4.036 -6.561 495 H ALA 20 H ALA 20 -2.599 -2.853 -4.639 496 HA ALA 20 HA ALA 20 -4.461 -0.701 -3.913 497 HB1 ALA 20 3HB ALA 20 -1.719 -0.602 -5.228 498 HB2 ALA 20 1HB ALA 20 -2.644 0.796 -4.643 499 HB3 ALA 20 2HB ALA 20 -2.049 -0.413 -3.490 500 H GLY 21 H GLY 21 -5.154 0.975 -5.471 501 HA2 GLY 21 2HA GLY 21 -5.266 0.133 -8.326 502 HA3 GLY 21 3HA GLY 21 -6.770 0.348 -7.428 503 H GLY 22 H GLY 22 -5.753 2.710 -5.893 504 HA2 GLY 22 2HA GLY 22 -4.588 4.686 -6.179 505 HA3 GLY 22 3HA GLY 22 -4.730 4.597 -7.931 506 H LYS 23 H LYS 23 -6.524 5.217 -4.931 507 HA LYS 23 HA LYS 23 -8.626 6.736 -6.321 508 HB2 LYS 23 2HB LYS 23 -8.133 6.272 -3.359 509 HB3 LYS 23 3HB LYS 23 -9.551 7.074 -4.036 510 HG2 LYS 23 2HG LYS 23 -10.198 5.026 -5.230 511 HG3 LYS 23 3HG LYS 23 -8.761 4.190 -4.618 512 HD2 LYS 23 2HD LYS 23 -9.560 4.633 -2.269 513 HD3 LYS 23 3HD LYS 23 -11.063 5.279 -2.933 514 HE2 LYS 23 2HE LYS 23 -9.977 2.460 -3.388 515 HE3 LYS 23 3HE LYS 23 -11.174 2.884 -2.164 516 HZ1 LYS 23 3HZ LYS 23 -11.583 3.181 -5.094 517 HZ2 LYS 23 1HZ LYS 23 -12.670 3.606 -3.950 518 HZ3 LYS 23 2HZ LYS 23 -12.263 2.040 -4.147 519 H LEU 24 H LEU 24 -5.679 7.544 -4.693 520 HA LEU 24 HA LEU 24 -5.954 10.375 -5.368 521 HB2 LEU 24 2HB LEU 24 -7.053 9.973 -3.050 522 HB3 LEU 24 3HB LEU 24 -5.438 9.572 -2.468 523 HG LEU 24 HG LEU 24 -4.651 11.861 -2.999 524 HD11 LEU 24 1HD1 LEU 24 -6.124 12.500 -4.873 525 HD12 LEU 24 2HD1 LEU 24 -6.329 13.627 -3.533 526 HD13 LEU 24 3HD1 LEU 24 -7.548 12.366 -3.817 527 HD21 LEU 24 3HD2 LEU 24 -5.959 12.994 -1.265 528 HD22 LEU 24 1HD2 LEU 24 -5.573 11.333 -0.791 529 HD23 LEU 24 2HD2 LEU 24 -7.210 11.742 -1.359 530 H VAL 25 H VAL 25 -3.906 11.533 -5.109 531 HA VAL 25 HA VAL 25 -1.588 9.752 -5.448 532 HB VAL 25 HB VAL 25 -1.931 12.735 -5.950 533 HG11 VAL 25 1HG1 VAL 25 0.546 10.994 -6.272 534 HG12 VAL 25 2HG1 VAL 25 0.343 12.597 -6.997 535 HG13 VAL 25 3HG1 VAL 25 0.391 12.446 -5.247 536 HG21 VAL 25 3HG2 VAL 25 -1.518 12.014 -8.297 537 HG22 VAL 25 1HG2 VAL 25 -1.412 10.336 -7.763 538 HG23 VAL 25 2HG2 VAL 25 -2.954 11.217 -7.631 539 H LEU 26 H LEU 26 -0.013 9.494 -4.245 540 HA LEU 26 HA LEU 26 0.618 11.126 -1.840 541 HB2 LEU 26 2HB LEU 26 0.197 8.128 -1.936 542 HB3 LEU 26 3HB LEU 26 1.205 8.917 -0.736 543 HG LEU 26 HG LEU 26 -0.843 10.451 -0.263 544 HD11 LEU 26 1HD1 LEU 26 -2.226 7.977 -1.461 545 HD12 LEU 26 2HD1 LEU 26 -2.415 9.617 -2.063 546 HD13 LEU 26 3HD1 LEU 26 -3.044 9.228 -0.489 547 HD21 LEU 26 3HD2 LEU 26 -0.212 9.167 1.492 548 HD22 LEU 26 1HD2 LEU 26 -0.448 7.639 0.613 549 HD23 LEU 26 2HD2 LEU 26 -1.830 8.563 1.240 550 H SER 27 H SER 27 2.950 10.946 -1.117 551 HA SER 27 HA SER 27 4.755 10.146 -3.360 552 HB2 SER 27 2HB SER 27 4.862 12.466 -2.474 553 HB3 SER 27 3HB SER 27 5.315 11.808 -0.900 554 HG SER 27 HG SER 27 7.141 12.386 -2.271 555 H LYS 28 H LYS 28 6.977 9.563 -2.011 556 HA LYS 28 HA LYS 28 6.820 6.834 -1.341 557 HB2 LYS 28 2HB LYS 28 8.812 8.576 -1.820 558 HB3 LYS 28 3HB LYS 28 8.916 8.606 -0.065 559 HG2 LYS 28 2HG LYS 28 9.132 6.111 -0.104 560 HG3 LYS 28 3HG LYS 28 9.108 6.152 -1.874 561 HD2 LYS 28 2HD LYS 28 11.191 7.562 -1.814 562 HD3 LYS 28 3HD LYS 28 11.177 7.450 -0.041 563 HE2 LYS 28 2HE LYS 28 11.241 4.944 -0.252 564 HE3 LYS 28 3HE LYS 28 11.396 5.120 -2.007 565 HZ1 LYS 28 3HZ LYS 28 13.333 6.242 -0.040 566 HZ2 LYS 28 1HZ LYS 28 13.523 6.235 -1.669 567 HZ3 LYS 28 2HZ LYS 28 13.555 4.839 -0.835 568 H GLU 29 H GLU 29 6.675 9.621 0.798 569 HA GLU 29 HA GLU 29 6.592 7.977 3.213 570 HB2 GLU 29 2HB GLU 29 6.339 10.962 2.822 571 HB3 GLU 29 3HB GLU 29 6.305 10.151 4.394 572 HG2 GLU 29 2HG GLU 29 8.560 9.165 3.897 573 HG3 GLU 29 3HG GLU 29 8.618 10.112 2.410 574 H GLY 30 H GLY 30 4.202 9.755 1.183 575 HA2 GLY 30 2HA GLY 30 1.955 9.383 2.938 576 HA3 GLY 30 3HA GLY 30 1.964 9.658 1.186 577 H ALA 31 H ALA 31 3.291 7.393 0.194 578 HA ALA 31 HA ALA 31 1.298 5.400 0.333 579 HB1 ALA 31 3HB ALA 31 2.787 5.561 -1.615 580 HB2 ALA 31 1HB ALA 31 4.207 5.204 -0.604 581 HB3 ALA 31 2HB ALA 31 2.996 3.952 -0.886 582 H GLU 32 H GLU 32 4.538 5.604 1.946 583 HA GLU 32 HA GLU 32 4.135 3.104 3.257 584 HB2 GLU 32 2HB GLU 32 5.929 3.363 4.595 585 HB3 GLU 32 3HB GLU 32 6.287 4.174 3.076 586 HG2 GLU 32 2HG GLU 32 5.922 6.333 4.120 587 HG3 GLU 32 3HG GLU 32 5.420 5.589 5.629 588 H GLN 33 H GLN 33 2.903 6.367 4.095 589 HA GLN 33 HA GLN 33 2.065 5.649 6.791 590 HB2 GLN 33 2HB GLN 33 2.496 7.997 5.931 591 HB3 GLN 33 3HB GLN 33 1.002 7.862 5.005 592 HG2 GLN 33 2HG GLN 33 0.549 9.064 7.042 593 HG3 GLN 33 3HG GLN 33 -0.252 7.502 7.156 594 HE21 GLN 33 1HE2 GLN 33 2.692 9.321 8.208 595 HE22 GLN 33 2HE2 GLN 33 2.919 8.360 9.662 596 H ILE 34 H ILE 34 0.604 5.409 3.554 597 HA ILE 34 HA ILE 34 -2.002 4.466 4.509 598 HB ILE 34 HB ILE 34 -0.642 3.704 1.914 599 HG12 ILE 34 2HG1 ILE 34 -2.828 5.757 2.488 600 HG13 ILE 34 3HG1 ILE 34 -1.125 6.182 2.327 601 HG21 ILE 34 1HG2 ILE 34 -2.376 2.083 2.666 602 HG22 ILE 34 2HG2 ILE 34 -3.498 3.389 3.004 603 HG23 ILE 34 3HG2 ILE 34 -3.021 3.002 1.330 604 HD11 ILE 34 3HD1 ILE 34 -2.674 4.715 0.147 605 HD12 ILE 34 1HD1 ILE 34 -2.472 6.458 0.213 606 HD13 ILE 34 2HD1 ILE 34 -1.050 5.400 0.032 607 H ILE 35 H ILE 35 1.071 2.714 3.673 608 HA ILE 35 HA ILE 35 -0.048 0.241 4.497 609 HB ILE 35 HB ILE 35 2.392 1.092 3.486 610 HG12 ILE 35 2HG1 ILE 35 0.818 -0.622 2.637 611 HG13 ILE 35 3HG1 ILE 35 2.461 -1.205 2.666 612 HG21 ILE 35 1HG2 ILE 35 2.894 -0.749 5.868 613 HG22 ILE 35 2HG2 ILE 35 4.037 -0.449 4.556 614 HG23 ILE 35 3HG2 ILE 35 3.544 0.882 5.612 615 HD11 ILE 35 3HD1 ILE 35 0.807 -2.846 3.430 616 HD12 ILE 35 1HD1 ILE 35 2.078 -2.572 4.618 617 HD13 ILE 35 2HD1 ILE 35 0.442 -1.880 4.833 618 H SER 36 H SER 36 1.341 2.713 6.489 619 HA SER 36 HA SER 36 1.294 1.152 8.915 620 HB2 SER 36 2HB SER 36 2.320 3.454 8.680 621 HB3 SER 36 3HB SER 36 0.676 4.122 8.694 622 HG SER 36 HG SER 36 1.612 4.088 10.783 623 H GLU 37 H GLU 37 -1.252 3.125 7.234 624 HA GLU 37 HA GLU 37 -3.347 2.502 9.127 625 HB2 GLU 37 2HB GLU 37 -3.435 3.344 6.199 626 HB3 GLU 37 3HB GLU 37 -4.872 3.082 7.167 627 HG2 GLU 37 2HG GLU 37 -2.699 5.080 7.920 628 HG3 GLU 37 3HG GLU 37 -4.112 5.470 6.945 629 H ILE 38 H ILE 38 -2.444 0.878 6.029 630 HA ILE 38 HA ILE 38 -4.492 -1.069 6.088 631 HB ILE 38 HB ILE 38 -1.760 -0.863 4.804 632 HG12 ILE 38 2HG1 ILE 38 -4.613 -0.814 3.682 633 HG13 ILE 38 3HG1 ILE 38 -3.633 0.612 3.990 634 HG21 ILE 38 1HG2 ILE 38 -1.947 -3.133 5.062 635 HG22 ILE 38 2HG2 ILE 38 -3.654 -3.152 4.494 636 HG23 ILE 38 3HG2 ILE 38 -2.326 -2.799 3.386 637 HD11 ILE 38 3HD1 ILE 38 -3.523 0.198 1.641 638 HD12 ILE 38 1HD1 ILE 38 -1.945 -0.300 2.293 639 HD13 ILE 38 2HD1 ILE 38 -3.168 -1.515 1.854 640 H GLN 39 H GLN 39 -1.106 -1.359 7.271 641 HA GLN 39 HA GLN 39 -1.478 -4.057 8.221 642 HB2 GLN 39 2HB GLN 39 0.600 -1.923 8.842 643 HB3 GLN 39 3HB GLN 39 0.529 -3.512 9.622 644 HG2 GLN 39 2HG GLN 39 0.585 -4.499 7.216 645 HG3 GLN 39 3HG GLN 39 1.161 -2.913 6.722 646 HE21 GLN 39 1HE2 GLN 39 2.522 -5.628 6.835 647 HE22 GLN 39 2HE2 GLN 39 4.005 -5.309 7.709 648 H ASN 40 H ASN 40 -1.966 -0.890 9.711 649 HA ASN 40 HA ASN 40 -2.608 -1.873 12.373 650 HB2 ASN 40 2HB ASN 40 -3.283 0.645 10.828 651 HB3 ASN 40 3HB ASN 40 -3.873 0.371 12.470 652 HD21 ASN 40 1HD2 ASN 40 -2.370 2.600 12.041 653 HD22 ASN 40 2HD2 ASN 40 -0.783 2.378 12.753 654 H GLN 41 H GLN 41 -4.653 -1.483 9.382 655 HA GLN 41 HA GLN 41 -7.118 -2.181 10.736 656 HB2 GLN 41 2HB GLN 41 -6.253 -2.295 7.828 657 HB3 GLN 41 3HB GLN 41 -7.868 -2.704 8.354 658 HG2 GLN 41 2HG GLN 41 -6.707 -0.005 9.120 659 HG3 GLN 41 3HG GLN 41 -7.282 -0.292 7.487 660 HE21 GLN 41 1HE2 GLN 41 -8.883 1.426 7.927 661 HE22 GLN 41 2HE2 GLN 41 -10.325 0.998 8.836 662 H LEU 42 H LEU 42 -4.650 -4.175 9.007 663 HA LEU 42 HA LEU 42 -5.947 -6.683 9.460 664 HB2 LEU 42 2HB LEU 42 -3.952 -6.147 8.015 665 HB3 LEU 42 3HB LEU 42 -2.928 -6.212 9.392 666 HG LEU 42 HG LEU 42 -2.860 -8.173 7.929 667 HD11 LEU 42 1HD1 LEU 42 -2.373 -8.473 10.370 668 HD12 LEU 42 2HD1 LEU 42 -2.886 -9.940 9.511 669 HD13 LEU 42 3HD1 LEU 42 -4.022 -9.097 10.571 670 HD21 LEU 42 3HD2 LEU 42 -5.389 -8.000 7.413 671 HD22 LEU 42 1HD2 LEU 42 -5.588 -9.059 8.822 672 HD23 LEU 42 2HD2 LEU 42 -4.585 -9.563 7.446 673 H GLN 43 H GLN 43 -3.728 -4.820 11.532 674 HA GLN 43 HA GLN 43 -3.575 -6.771 13.628 675 HB2 GLN 43 2HB GLN 43 -1.991 -4.891 13.160 676 HB3 GLN 43 3HB GLN 43 -3.166 -3.761 13.842 677 HG2 GLN 43 2HG GLN 43 -2.996 -4.825 16.029 678 HG3 GLN 43 3HG GLN 43 -2.026 -6.147 15.366 679 HE21 GLN 43 1HE2 GLN 43 -1.845 -2.973 16.774 680 HE22 GLN 43 2HE2 GLN 43 -0.131 -2.741 16.461 681 H ASN 44 H ASN 44 -5.738 -3.925 13.268 682 HA ASN 44 HA ASN 44 -7.883 -5.340 14.616 683 HB2 ASN 44 2HB ASN 44 -6.702 -4.382 16.584 684 HB3 ASN 44 3HB ASN 44 -6.742 -2.778 15.846 685 HD21 ASN 44 1HD2 ASN 44 -9.087 -5.446 16.636 686 HD22 ASN 44 2HD2 ASN 44 -10.304 -4.334 17.240 687 H LEU 45 H LEU 45 -9.682 -4.884 13.409 688 HA LEU 45 HA LEU 45 -9.679 -2.817 11.419 689 HB2 LEU 45 2HB LEU 45 -11.901 -4.575 12.508 690 HB3 LEU 45 3HB LEU 45 -12.129 -3.448 11.177 691 HG LEU 45 HG LEU 45 -10.127 -5.747 11.114 692 HD11 LEU 45 1HD1 LEU 45 -12.907 -5.514 9.876 693 HD12 LEU 45 2HD1 LEU 45 -12.451 -6.568 11.234 694 HD13 LEU 45 3HD1 LEU 45 -11.759 -6.852 9.633 695 HD21 LEU 45 3HD2 LEU 45 -10.126 -5.340 8.673 696 HD22 LEU 45 1HD2 LEU 45 -9.566 -3.911 9.540 697 HD23 LEU 45 2HD2 LEU 45 -11.216 -3.950 8.893 698 H LYS 46 H LYS 46 -10.414 -0.808 11.376 699 HA LYS 46 HA LYS 46 -11.101 0.572 13.859 700 HB2 LYS 46 2HB LYS 46 -10.909 1.595 10.999 701 HB3 LYS 46 3HB LYS 46 -11.153 2.590 12.435 702 HG2 LYS 46 2HG LYS 46 -8.968 1.733 13.358 703 HG3 LYS 46 3HG LYS 46 -8.691 0.897 11.817 704 HD2 LYS 46 2HD LYS 46 -8.837 3.091 10.623 705 HD3 LYS 46 3HD LYS 46 -9.084 3.901 12.185 706 HE2 LYS 46 2HE LYS 46 -6.869 2.954 12.950 707 HE3 LYS 46 3HE LYS 46 -6.623 2.321 11.316 708 HZ1 LYS 46 3HZ LYS 46 -6.919 5.200 12.023 709 HZ2 LYS 46 1HZ LYS 46 -6.729 4.636 10.489 710 HZ3 LYS 46 2HZ LYS 46 -5.534 4.465 11.528 Start of MODEL 2 1 H1 MET 1 1H MET 1 -5.013 24.179 -13.171 2 H2 MET 1 2H MET 1 -5.193 23.656 -14.711 3 H3 MET 1 3H MET 1 -3.714 24.103 -14.162 4 HA MET 1 HA MET 1 -5.268 21.806 -13.179 5 HB2 MET 1 2HB MET 1 -4.419 21.423 -15.459 6 HB3 MET 1 3HB MET 1 -2.781 21.838 -14.944 7 HG2 MET 1 2HG MET 1 -3.126 19.409 -15.125 8 HG3 MET 1 3HG MET 1 -2.686 19.894 -13.496 9 HE1 MET 1 3HE MET 1 -4.870 16.836 -12.644 10 HE2 MET 1 1HE MET 1 -3.649 17.032 -13.921 11 HE3 MET 1 2HE MET 1 -3.371 17.729 -12.308 12 H ASN 2 H ASN 2 -4.531 20.802 -11.351 13 HA ASN 2 HA ASN 2 -2.583 22.213 -9.684 14 HB2 ASN 2 2HB ASN 2 -3.262 20.587 -7.970 15 HB3 ASN 2 3HB ASN 2 -4.654 21.356 -8.715 16 HD21 ASN 2 1HD2 ASN 2 -2.902 18.281 -8.343 17 HD22 ASN 2 2HD2 ASN 2 -4.187 17.324 -9.067 18 H CYS 3 H CYS 3 -0.829 21.116 -8.555 19 HA CYS 3 HA CYS 3 0.757 19.280 -10.208 20 HB2 CYS 3 2HB CYS 3 2.402 19.420 -8.420 21 HB3 CYS 3 3HB CYS 3 1.881 21.037 -8.904 22 HG CYS 3 HG CYS 3 0.332 21.538 -6.915 23 H MET 4 H MET 4 1.457 17.172 -9.475 24 HA MET 4 HA MET 4 -0.662 15.665 -8.040 25 HB2 MET 4 2HB MET 4 1.547 14.907 -9.933 26 HB3 MET 4 3HB MET 4 1.002 13.751 -8.724 27 HG2 MET 4 2HG MET 4 -0.257 13.408 -10.747 28 HG3 MET 4 3HG MET 4 -1.294 13.926 -9.423 29 HE1 MET 4 3HE MET 4 0.297 14.854 -12.886 30 HE2 MET 4 1HE MET 4 -0.232 16.534 -13.120 31 HE3 MET 4 2HE MET 4 0.983 16.154 -11.884 32 H THR 5 H THR 5 -0.463 16.300 -6.049 33 HA THR 5 HA THR 5 2.104 15.960 -4.553 34 HB THR 5 HB THR 5 1.465 18.277 -4.680 35 HG1 THR 5 HG1 THR 5 1.476 18.692 -2.509 36 HG21 THR 5 3HG2 THR 5 -1.151 17.502 -3.292 37 HG22 THR 5 1HG2 THR 5 -0.997 18.116 -4.956 38 HG23 THR 5 2HG2 THR 5 -0.570 19.154 -3.594 39 H CYS 6 H CYS 6 2.191 15.108 -2.585 40 HA CYS 6 HA CYS 6 0.312 13.038 -1.931 41 HB2 CYS 6 2HB CYS 6 2.742 12.982 -1.296 42 HB3 CYS 6 3HB CYS 6 2.409 14.275 -0.152 43 HG CYS 6 HG CYS 6 2.511 12.238 1.295 44 H GLN 7 H GLN 7 -1.771 13.282 -1.112 45 HA GLN 7 HA GLN 7 -2.464 15.708 0.324 46 HB2 GLN 7 2HB GLN 7 -4.038 14.414 -1.063 47 HB3 GLN 7 3HB GLN 7 -4.060 13.130 0.164 48 HG2 GLN 7 2HG GLN 7 -4.978 14.718 1.825 49 HG3 GLN 7 3HG GLN 7 -4.805 16.055 0.685 50 HE21 GLN 7 1HE2 GLN 7 -6.681 13.106 1.449 51 HE22 GLN 7 2HE2 GLN 7 -8.027 13.536 0.405 52 H VAL 8 H VAL 8 -1.015 12.764 1.435 53 HA VAL 8 HA VAL 8 -1.864 13.131 4.250 54 HB VAL 8 HB VAL 8 -0.231 10.962 2.900 55 HG11 VAL 8 1HG1 VAL 8 -1.332 11.078 5.736 56 HG12 VAL 8 2HG1 VAL 8 -0.714 9.613 4.943 57 HG13 VAL 8 3HG1 VAL 8 0.378 10.959 5.254 58 HG21 VAL 8 3HG2 VAL 8 -2.581 10.947 2.164 59 HG22 VAL 8 1HG2 VAL 8 -2.309 9.601 3.272 60 HG23 VAL 8 2HG2 VAL 8 -3.133 11.061 3.849 61 H THR 9 H THR 9 0.856 13.916 2.309 62 HA THR 9 HA THR 9 2.440 14.730 4.733 63 HB THR 9 HB THR 9 4.502 14.001 3.833 64 HG1 THR 9 HG1 THR 9 4.685 13.043 1.858 65 HG21 THR 9 3HG2 THR 9 2.558 11.705 3.331 66 HG22 THR 9 1HG2 THR 9 3.121 12.214 4.940 67 HG23 THR 9 2HG2 THR 9 4.277 11.597 3.751 68 H GLY 10 H GLY 10 1.784 15.277 1.337 69 HA2 GLY 10 2HA GLY 10 1.522 17.506 0.383 70 HA3 GLY 10 3HA GLY 10 2.573 18.165 1.629 71 H GLU 11 H GLU 11 4.034 15.318 0.588 72 HA GLU 11 HA GLU 11 6.009 16.725 -1.034 73 HB2 GLU 11 2HB GLU 11 5.644 13.833 -0.199 74 HB3 GLU 11 3HB GLU 11 7.013 14.423 -1.166 75 HG2 GLU 11 2HG GLU 11 7.495 16.071 0.699 76 HG3 GLU 11 3HG GLU 11 6.286 15.227 1.677 77 H VAL 12 H VAL 12 6.486 16.451 -3.136 78 HA VAL 12 HA VAL 12 4.487 15.169 -4.985 79 HB VAL 12 HB VAL 12 6.069 17.687 -5.131 80 HG11 VAL 12 1HG1 VAL 12 5.353 17.980 -7.533 81 HG12 VAL 12 2HG1 VAL 12 6.511 16.668 -7.336 82 HG13 VAL 12 3HG1 VAL 12 4.781 16.297 -7.530 83 HG21 VAL 12 3HG2 VAL 12 3.780 17.803 -4.242 84 HG22 VAL 12 1HG2 VAL 12 4.109 18.850 -5.627 85 HG23 VAL 12 2HG2 VAL 12 3.198 17.362 -5.876 86 H SER 13 H SER 13 5.303 13.427 -6.034 87 HA SER 13 HA SER 13 8.168 13.452 -6.872 88 HB2 SER 13 2HB SER 13 8.042 10.998 -6.943 89 HB3 SER 13 3HB SER 13 7.803 11.635 -5.308 90 HG SER 13 HG SER 13 5.663 11.188 -5.425 91 H ASP 14 H ASP 14 8.632 12.875 -9.000 92 HA ASP 14 HA ASP 14 6.689 13.321 -11.059 93 HB2 ASP 14 2HB ASP 14 9.152 11.617 -11.458 94 HB3 ASP 14 3HB ASP 14 8.391 12.733 -12.580 95 H ASP 15 H ASP 15 7.807 10.469 -9.384 96 HA ASP 15 HA ASP 15 6.617 8.483 -11.088 97 HB2 ASP 15 2HB ASP 15 7.586 8.070 -8.258 98 HB3 ASP 15 3HB ASP 15 7.645 6.944 -9.613 99 H ASN 16 H ASN 16 5.273 10.418 -8.694 100 HA ASN 16 HA ASN 16 3.476 10.277 -7.270 101 HB2 ASN 16 2HB ASN 16 1.529 10.709 -8.617 102 HB3 ASN 16 3HB ASN 16 2.954 11.498 -9.269 103 HD21 ASN 16 1HD2 ASN 16 4.014 10.335 -11.254 104 HD22 ASN 16 2HD2 ASN 16 2.859 9.559 -12.323 105 H LEU 17 H LEU 17 3.620 8.518 -5.885 106 HA LEU 17 HA LEU 17 2.504 5.935 -6.475 107 HB2 LEU 17 2HB LEU 17 3.011 7.212 -3.740 108 HB3 LEU 17 3HB LEU 17 2.849 5.508 -4.102 109 HG LEU 17 HG LEU 17 5.117 7.329 -4.976 110 HD11 LEU 17 1HD1 LEU 17 5.205 6.789 -2.633 111 HD12 LEU 17 2HD1 LEU 17 6.496 5.913 -3.484 112 HD13 LEU 17 3HD1 LEU 17 5.031 5.090 -2.960 113 HD21 LEU 17 3HD2 LEU 17 4.382 4.526 -5.758 114 HD22 LEU 17 1HD2 LEU 17 6.081 4.927 -5.544 115 HD23 LEU 17 2HD2 LEU 17 5.100 5.818 -6.725 116 H LYS 18 H LYS 18 0.554 5.060 -5.414 117 HA LYS 18 HA LYS 18 -1.549 7.120 -5.007 118 HB2 LYS 18 2HB LYS 18 -1.842 4.931 -7.079 119 HB3 LYS 18 3HB LYS 18 -3.020 6.198 -6.648 120 HG2 LYS 18 2HG LYS 18 -1.411 7.929 -7.415 121 HG3 LYS 18 3HG LYS 18 -0.341 6.626 -7.982 122 HD2 LYS 18 2HD LYS 18 -2.130 5.817 -9.494 123 HD3 LYS 18 3HD LYS 18 -3.171 7.164 -8.965 124 HE2 LYS 18 2HE LYS 18 -1.462 8.790 -9.737 125 HE3 LYS 18 3HE LYS 18 -0.402 7.467 -10.220 126 HZ1 LYS 18 3HZ LYS 18 -2.083 6.798 -11.855 127 HZ2 LYS 18 1HZ LYS 18 -1.627 8.343 -12.109 128 HZ3 LYS 18 2HZ LYS 18 -3.069 8.027 -11.410 129 H LEU 19 H LEU 19 -3.450 6.591 -4.124 130 HA LEU 19 HA LEU 19 -3.229 4.806 -1.932 131 HB2 LEU 19 2HB LEU 19 -4.288 7.103 -2.116 132 HB3 LEU 19 3HB LEU 19 -5.689 6.356 -2.836 133 HG LEU 19 HG LEU 19 -4.827 5.264 -0.153 134 HD11 LEU 19 1HD1 LEU 19 -6.070 8.024 -0.501 135 HD12 LEU 19 2HD1 LEU 19 -4.484 7.652 0.208 136 HD13 LEU 19 3HD1 LEU 19 -5.954 7.124 1.031 137 HD21 LEU 19 3HD2 LEU 19 -7.226 5.208 0.236 138 HD22 LEU 19 1HD2 LEU 19 -6.934 4.543 -1.376 139 HD23 LEU 19 2HD2 LEU 19 -7.539 6.198 -1.205 140 H ALA 20 H ALA 20 -4.968 3.334 -1.156 141 HA ALA 20 HA ALA 20 -4.837 1.152 -3.124 142 HB1 ALA 20 3HB ALA 20 -5.433 1.051 -0.146 143 HB2 ALA 20 1HB ALA 20 -5.196 -0.353 -1.207 144 HB3 ALA 20 2HB ALA 20 -3.852 0.768 -0.913 145 H GLY 21 H GLY 21 -6.653 -0.427 -3.461 146 HA2 GLY 21 2HA GLY 21 -9.369 0.683 -2.962 147 HA3 GLY 21 3HA GLY 21 -8.819 0.464 -4.624 148 H GLY 22 H GLY 22 -7.385 -2.049 -4.213 149 HA2 GLY 22 2HA GLY 22 -7.542 -3.979 -2.929 150 HA3 GLY 22 3HA GLY 22 -9.295 -3.860 -2.817 151 H LYS 23 H LYS 23 -6.672 -4.294 -5.247 152 HA LYS 23 HA LYS 23 -8.456 -5.548 -7.178 153 HB2 LYS 23 2HB LYS 23 -5.417 -5.432 -7.162 154 HB3 LYS 23 3HB LYS 23 -6.426 -5.968 -8.501 155 HG2 LYS 23 2HG LYS 23 -7.481 -3.693 -8.584 156 HG3 LYS 23 3HG LYS 23 -6.337 -3.155 -7.335 157 HD2 LYS 23 2HD LYS 23 -4.435 -3.767 -8.822 158 HD3 LYS 23 3HD LYS 23 -5.584 -4.299 -10.067 159 HE2 LYS 23 2HE LYS 23 -6.527 -1.990 -10.155 160 HE3 LYS 23 3HE LYS 23 -5.342 -1.478 -8.942 161 HZ1 LYS 23 3HZ LYS 23 -3.575 -2.051 -10.503 162 HZ2 LYS 23 1HZ LYS 23 -4.581 -0.960 -11.181 163 HZ3 LYS 23 2HZ LYS 23 -4.658 -2.526 -11.633 164 H LEU 24 H LEU 24 -6.238 -6.874 -4.806 165 HA LEU 24 HA LEU 24 -7.364 -9.549 -5.058 166 HB2 LEU 24 2HB LEU 24 -5.533 -9.337 -6.868 167 HB3 LEU 24 3HB LEU 24 -4.371 -9.192 -5.550 168 HG LEU 24 HG LEU 24 -4.915 -11.468 -4.779 169 HD11 LEU 24 1HD1 LEU 24 -6.343 -12.952 -6.193 170 HD12 LEU 24 2HD1 LEU 24 -6.866 -11.532 -7.124 171 HD13 LEU 24 3HD1 LEU 24 -7.287 -11.694 -5.404 172 HD21 LEU 24 3HD2 LEU 24 -4.396 -11.299 -7.772 173 HD22 LEU 24 1HD2 LEU 24 -4.057 -12.696 -6.732 174 HD23 LEU 24 2HD2 LEU 24 -3.179 -11.175 -6.480 175 H VAL 25 H VAL 25 -6.510 -11.021 -3.294 176 HA VAL 25 HA VAL 25 -6.212 -9.426 -0.861 177 HB VAL 25 HB VAL 25 -6.871 -12.338 -1.360 178 HG11 VAL 25 1HG1 VAL 25 -5.606 -12.358 0.717 179 HG12 VAL 25 2HG1 VAL 25 -6.466 -10.916 1.300 180 HG13 VAL 25 3HG1 VAL 25 -7.312 -12.465 1.102 181 HG21 VAL 25 3HG2 VAL 25 -8.678 -10.681 -1.761 182 HG22 VAL 25 1HG2 VAL 25 -9.018 -11.652 -0.324 183 HG23 VAL 25 2HG2 VAL 25 -8.424 -10.000 -0.139 184 H LEU 26 H LEU 26 -4.736 -9.293 0.438 185 HA LEU 26 HA LEU 26 -2.268 -10.945 0.445 186 HB2 LEU 26 2HB LEU 26 -2.391 -7.920 0.329 187 HB3 LEU 26 3HB LEU 26 -1.019 -8.811 0.969 188 HG LEU 26 HG LEU 26 -1.035 -10.128 -1.278 189 HD11 LEU 26 1HD1 LEU 26 -2.407 -7.517 -2.131 190 HD12 LEU 26 2HD1 LEU 26 -3.131 -9.110 -2.291 191 HD13 LEU 26 3HD1 LEU 26 -1.724 -8.742 -3.238 192 HD21 LEU 26 3HD2 LEU 26 0.840 -8.879 -0.926 193 HD22 LEU 26 1HD2 LEU 26 -0.058 -7.343 -0.823 194 HD23 LEU 26 2HD2 LEU 26 0.240 -8.133 -2.385 195 H SER 27 H SER 27 -1.074 -10.867 2.603 196 HA SER 27 HA SER 27 -2.899 -10.182 4.866 197 HB2 SER 27 2HB SER 27 -2.045 -12.543 4.657 198 HB3 SER 27 3HB SER 27 -0.412 -11.904 4.925 199 HG SER 27 HG SER 27 -1.514 -12.578 6.885 200 H LYS 28 H LYS 28 -1.111 -9.751 6.790 201 HA LYS 28 HA LYS 28 -0.332 -7.039 6.598 202 HB2 LYS 28 2HB LYS 28 -0.424 -8.950 8.566 203 HB3 LYS 28 3HB LYS 28 1.315 -8.842 8.340 204 HG2 LYS 28 2HG LYS 28 1.116 -6.343 8.694 205 HG3 LYS 28 3HG LYS 28 -0.607 -6.572 9.029 206 HD2 LYS 28 2HD LYS 28 0.051 -8.151 10.899 207 HD3 LYS 28 3HD LYS 28 1.748 -7.757 10.571 208 HE2 LYS 28 2HE LYS 28 1.246 -5.344 11.026 209 HE3 LYS 28 3HE LYS 28 -0.428 -5.779 11.402 210 HZ1 LYS 28 3HZ LYS 28 0.473 -7.216 13.203 211 HZ2 LYS 28 1HZ LYS 28 0.856 -5.649 13.445 212 HZ3 LYS 28 2HZ LYS 28 1.986 -6.691 12.885 213 H GLU 29 H GLU 29 1.557 -9.919 5.957 214 HA GLU 29 HA GLU 29 4.042 -8.514 5.493 215 HB2 GLU 29 2HB GLU 29 3.265 -11.349 4.767 216 HB3 GLU 29 3HB GLU 29 4.907 -10.718 4.822 217 HG2 GLU 29 2HG GLU 29 3.022 -11.092 7.194 218 HG3 GLU 29 3HG GLU 29 4.383 -12.115 6.772 219 H GLY 30 H GLY 30 1.476 -9.896 3.368 220 HA2 GLY 30 2HA GLY 30 2.807 -9.368 0.879 221 HA3 GLY 30 3HA GLY 30 1.077 -9.606 1.166 222 H ALA 31 H ALA 31 0.502 -7.407 2.897 223 HA ALA 31 HA ALA 31 0.251 -5.312 0.976 224 HB1 ALA 31 3HB ALA 31 -0.096 -5.125 4.004 225 HB2 ALA 31 1HB ALA 31 -0.805 -4.056 2.788 226 HB3 ALA 31 2HB ALA 31 -1.331 -5.736 2.875 227 H GLU 32 H GLU 32 2.467 -5.763 3.803 228 HA GLU 32 HA GLU 32 3.838 -3.279 3.196 229 HB2 GLU 32 2HB GLU 32 5.561 -3.796 4.640 230 HB3 GLU 32 3HB GLU 32 4.021 -4.284 5.346 231 HG2 GLU 32 2HG GLU 32 4.488 -6.588 4.953 232 HG3 GLU 32 3HG GLU 32 5.892 -6.230 3.938 233 H GLN 33 H GLN 33 4.164 -6.556 1.789 234 HA GLN 33 HA GLN 33 6.656 -5.936 0.467 235 HB2 GLN 33 2HB GLN 33 5.891 -8.272 0.815 236 HB3 GLN 33 3HB GLN 33 4.576 -7.998 -0.331 237 HG2 GLN 33 2HG GLN 33 6.442 -9.155 -1.419 238 HG3 GLN 33 3HG GLN 33 6.198 -7.576 -2.144 239 HE21 GLN 33 1HE2 GLN 33 8.305 -6.924 -2.811 240 HE22 GLN 33 2HE2 GLN 33 9.694 -7.027 -1.734 241 H ILE 34 H ILE 34 3.205 -5.382 -0.338 242 HA ILE 34 HA ILE 34 3.735 -4.254 -2.957 243 HB ILE 34 HB ILE 34 1.531 -3.364 -1.085 244 HG12 ILE 34 2HG1 ILE 34 1.395 -5.383 -3.367 245 HG13 ILE 34 3HG1 ILE 34 1.571 -5.861 -1.686 246 HG21 ILE 34 1HG2 ILE 34 0.552 -2.541 -3.268 247 HG22 ILE 34 2HG2 ILE 34 2.095 -1.792 -2.927 248 HG23 ILE 34 3HG2 ILE 34 2.028 -3.095 -4.100 249 HD11 ILE 34 3HD1 ILE 34 -0.744 -4.135 -2.688 250 HD12 ILE 34 1HD1 ILE 34 -0.816 -5.880 -2.488 251 HD13 ILE 34 2HD1 ILE 34 -0.559 -4.834 -1.076 252 H ILE 35 H ILE 35 3.773 -2.751 0.365 253 HA ILE 35 HA ILE 35 4.497 -0.201 -0.597 254 HB ILE 35 HB ILE 35 4.503 -1.415 1.982 255 HG12 ILE 35 2HG1 ILE 35 3.269 0.592 1.290 256 HG13 ILE 35 3HG1 ILE 35 4.311 0.945 2.685 257 HG21 ILE 35 1HG2 ILE 35 7.030 0.247 1.669 258 HG22 ILE 35 2HG2 ILE 35 6.274 -0.249 3.191 259 HG23 ILE 35 3HG2 ILE 35 6.929 -1.472 2.111 260 HD11 ILE 35 3HD1 ILE 35 5.167 1.708 -0.110 261 HD12 ILE 35 1HD1 ILE 35 4.156 2.709 0.890 262 HD13 ILE 35 2HD1 ILE 35 5.762 2.283 1.481 263 H SER 36 H SER 36 6.592 -2.956 -0.066 264 HA SER 36 HA SER 36 9.054 -1.593 -0.724 265 HB2 SER 36 2HB SER 36 8.221 -4.500 -0.823 266 HB3 SER 36 3HB SER 36 9.837 -3.952 -1.324 267 HG SER 36 HG SER 36 9.763 -4.557 0.897 268 H GLU 37 H GLU 37 6.650 -3.326 -2.819 269 HA GLU 37 HA GLU 37 8.082 -2.764 -5.268 270 HB2 GLU 37 2HB GLU 37 5.067 -3.035 -4.993 271 HB3 GLU 37 3HB GLU 37 6.031 -3.193 -6.449 272 HG2 GLU 37 2HG GLU 37 5.762 -5.118 -4.148 273 HG3 GLU 37 3HG GLU 37 5.414 -5.376 -5.837 274 H ILE 38 H ILE 38 5.471 -0.924 -3.617 275 HA ILE 38 HA ILE 38 5.206 1.116 -5.571 276 HB ILE 38 HB ILE 38 4.464 0.768 -2.653 277 HG12 ILE 38 2HG1 ILE 38 2.897 1.099 -5.271 278 HG13 ILE 38 3HG1 ILE 38 3.204 -0.426 -4.454 279 HG21 ILE 38 1HG2 ILE 38 3.942 3.283 -4.169 280 HG22 ILE 38 2HG2 ILE 38 3.157 2.806 -2.667 281 HG23 ILE 38 3HG2 ILE 38 4.891 3.045 -2.659 282 HD11 ILE 38 3HD1 ILE 38 1.380 1.836 -3.546 283 HD12 ILE 38 1HD1 ILE 38 0.954 0.173 -3.951 284 HD13 ILE 38 2HD1 ILE 38 1.873 0.512 -2.464 285 H GLN 39 H GLN 39 7.048 1.224 -2.494 286 HA GLN 39 HA GLN 39 8.196 3.816 -3.032 287 HB2 GLN 39 2HB GLN 39 9.007 1.554 -1.161 288 HB3 GLN 39 3HB GLN 39 9.892 3.065 -1.371 289 HG2 GLN 39 2HG GLN 39 7.664 4.273 -0.776 290 HG3 GLN 39 3HG GLN 39 7.112 2.721 -0.180 291 HE21 GLN 39 1HE2 GLN 39 7.517 5.134 1.381 292 HE22 GLN 39 2HE2 GLN 39 8.675 4.712 2.617 293 H ASN 40 H ASN 40 9.207 0.484 -3.865 294 HA ASN 40 HA ASN 40 11.712 1.298 -5.068 295 HB2 ASN 40 2HB ASN 40 11.237 -1.014 -4.462 296 HB3 ASN 40 3HB ASN 40 9.966 -1.107 -5.684 297 HD21 ASN 40 1HD2 ASN 40 10.602 -1.687 -7.785 298 HD22 ASN 40 2HD2 ASN 40 12.289 -1.828 -8.255 299 H GLN 41 H GLN 41 8.343 1.367 -6.435 300 HA GLN 41 HA GLN 41 9.251 2.032 -9.099 301 HB2 GLN 41 2HB GLN 41 6.597 2.632 -7.718 302 HB3 GLN 41 3HB GLN 41 6.975 2.980 -9.402 303 HG2 GLN 41 2HG GLN 41 7.510 0.509 -9.701 304 HG3 GLN 41 3HG GLN 41 6.822 0.235 -8.115 305 HE21 GLN 41 1HE2 GLN 41 6.009 1.393 -11.416 306 HE22 GLN 41 2HE2 GLN 41 4.286 1.113 -11.219 307 H LEU 42 H LEU 42 8.469 4.009 -6.189 308 HA LEU 42 HA LEU 42 9.155 6.477 -7.576 309 HB2 LEU 42 2HB LEU 42 7.700 6.294 -5.662 310 HB3 LEU 42 3HB LEU 42 9.024 5.943 -4.586 311 HG LEU 42 HG LEU 42 9.038 8.524 -6.235 312 HD11 LEU 42 1HD1 LEU 42 7.939 9.603 -4.224 313 HD12 LEU 42 2HD1 LEU 42 7.557 7.968 -3.648 314 HD13 LEU 42 3HD1 LEU 42 6.890 8.563 -5.187 315 HD21 LEU 42 3HD2 LEU 42 10.128 7.747 -3.489 316 HD22 LEU 42 1HD2 LEU 42 10.226 9.379 -4.188 317 HD23 LEU 42 2HD2 LEU 42 11.097 8.049 -4.932 318 H GLN 43 H GLN 43 11.133 4.116 -5.946 319 HA GLN 43 HA GLN 43 13.419 6.008 -5.665 320 HB2 GLN 43 2HB GLN 43 12.742 4.484 -3.856 321 HB3 GLN 43 3HB GLN 43 13.167 3.090 -4.859 322 HG2 GLN 43 2HG GLN 43 15.528 3.771 -4.855 323 HG3 GLN 43 3HG GLN 43 15.123 5.275 -4.016 324 HE21 GLN 43 1HE2 GLN 43 15.440 1.730 -3.614 325 HE22 GLN 43 2HE2 GLN 43 15.385 1.797 -1.859 326 H ASN 44 H ASN 44 12.747 3.073 -7.600 327 HA ASN 44 HA ASN 44 15.550 3.067 -8.550 328 HB2 ASN 44 2HB ASN 44 14.521 1.191 -7.240 329 HB3 ASN 44 3HB ASN 44 13.410 0.902 -8.583 330 HD21 ASN 44 1HD2 ASN 44 16.992 1.306 -8.080 331 HD22 ASN 44 2HD2 ASN 44 17.390 -0.040 -9.134 332 H LEU 45 H LEU 45 12.637 4.134 -9.916 333 HA LEU 45 HA LEU 45 13.287 3.135 -12.651 334 HB2 LEU 45 2HB LEU 45 10.859 4.638 -11.628 335 HB3 LEU 45 3HB LEU 45 11.067 3.977 -13.247 336 HG LEU 45 HG LEU 45 10.861 2.359 -10.674 337 HD11 LEU 45 1HD1 LEU 45 8.988 2.614 -13.065 338 HD12 LEU 45 2HD1 LEU 45 8.736 3.353 -11.470 339 HD13 LEU 45 3HD1 LEU 45 8.739 1.586 -11.637 340 HD21 LEU 45 3HD2 LEU 45 11.174 1.411 -13.554 341 HD22 LEU 45 1HD2 LEU 45 10.745 0.377 -12.173 342 HD23 LEU 45 2HD2 LEU 45 12.326 1.156 -12.221 343 H LYS 46 H LYS 46 14.461 5.570 -10.949 344 HA LYS 46 HA LYS 46 14.726 7.442 -13.258 345 HB2 LYS 46 2HB LYS 46 14.315 9.337 -11.887 346 HB3 LYS 46 3HB LYS 46 12.980 8.208 -11.661 347 HG2 LYS 46 2HG LYS 46 14.320 7.399 -9.543 348 HG3 LYS 46 3HG LYS 46 15.230 8.902 -9.739 349 HD2 LYS 46 2HD LYS 46 12.248 8.566 -9.271 350 HD3 LYS 46 3HD LYS 46 13.432 9.211 -8.131 351 HE2 LYS 46 2HE LYS 46 13.794 11.177 -9.617 352 HE3 LYS 46 3HE LYS 46 12.646 10.498 -10.783 353 HZ1 LYS 46 3HZ LYS 46 11.461 12.062 -9.445 354 HZ2 LYS 46 1HZ LYS 46 11.992 11.389 -8.038 355 HZ3 LYS 46 2HZ LYS 46 10.955 10.564 -9.005 356 H1 MET 1 1H MET 1 -16.744 -20.505 -3.460 357 H2 MET 1 2H MET 1 -17.800 -19.261 -3.340 358 H3 MET 1 3H MET 1 -17.330 -20.073 -1.996 359 HA MET 1 HA MET 1 -15.571 -18.436 -3.696 360 HB2 MET 1 2HB MET 1 -17.200 -17.088 -2.382 361 HB3 MET 1 3HB MET 1 -16.609 -17.832 -0.891 362 HG2 MET 1 2HG MET 1 -14.374 -16.866 -1.295 363 HG3 MET 1 3HG MET 1 -14.935 -16.168 -2.818 364 HE1 MET 1 3HE MET 1 -13.854 -13.869 -1.948 365 HE2 MET 1 1HE MET 1 -14.290 -13.106 -0.403 366 HE3 MET 1 2HE MET 1 -13.410 -14.650 -0.413 367 H ASN 2 H ASN 2 -13.391 -18.645 -3.351 368 HA ASN 2 HA ASN 2 -12.440 -20.859 -1.688 369 HB2 ASN 2 2HB ASN 2 -11.639 -20.243 -4.041 370 HB3 ASN 2 3HB ASN 2 -10.827 -18.853 -3.318 371 HD21 ASN 2 1HD2 ASN 2 -8.987 -20.090 -4.458 372 HD22 ASN 2 2HD2 ASN 2 -8.169 -21.300 -3.479 373 H CYS 3 H CYS 3 -10.571 -20.560 -0.187 374 HA CYS 3 HA CYS 3 -11.149 -18.595 1.852 375 HB2 CYS 3 2HB CYS 3 -10.230 -20.891 2.252 376 HB3 CYS 3 3HB CYS 3 -8.690 -20.358 1.537 377 HG CYS 3 HG CYS 3 -8.507 -20.436 4.172 378 H MET 4 H MET 4 -10.092 -16.740 2.427 379 HA MET 4 HA MET 4 -8.612 -15.349 0.299 380 HB2 MET 4 2HB MET 4 -10.069 -14.574 2.805 381 HB3 MET 4 3HB MET 4 -8.840 -13.482 2.182 382 HG2 MET 4 2HG MET 4 -9.912 -13.579 -0.071 383 HG3 MET 4 3HG MET 4 -11.174 -14.615 0.587 384 HE1 MET 4 3HE MET 4 -13.214 -12.201 2.899 385 HE2 MET 4 1HE MET 4 -13.054 -13.846 2.246 386 HE3 MET 4 2HE MET 4 -11.880 -13.238 3.439 387 H THR 5 H THR 5 -6.625 -16.005 0.133 388 HA THR 5 HA THR 5 -4.756 -15.692 2.449 389 HB THR 5 HB THR 5 -5.070 -18.064 1.818 390 HG1 THR 5 HG1 THR 5 -2.884 -18.456 1.793 391 HG21 THR 5 3HG2 THR 5 -5.379 -17.812 -0.660 392 HG22 THR 5 1HG2 THR 5 -4.070 -18.930 -0.253 393 HG23 THR 5 2HG2 THR 5 -3.689 -17.287 -0.811 394 H CYS 6 H CYS 6 -2.713 -14.862 2.020 395 HA CYS 6 HA CYS 6 -2.525 -12.833 0.054 396 HB2 CYS 6 2HB CYS 6 -1.319 -12.897 2.271 397 HB3 CYS 6 3HB CYS 6 -0.331 -14.197 1.639 398 HG CYS 6 HG CYS 6 1.173 -12.187 1.480 399 H GLN 7 H GLN 7 -2.189 -12.918 -2.105 400 HA GLN 7 HA GLN 7 -1.093 -15.324 -3.316 401 HB2 GLN 7 2HB GLN 7 -2.847 -14.016 -4.341 402 HB3 GLN 7 3HB GLN 7 -1.789 -12.605 -4.461 403 HG2 GLN 7 2HG GLN 7 -2.001 -13.686 -6.635 404 HG3 GLN 7 3HG GLN 7 -0.348 -13.804 -6.086 405 HE21 GLN 7 1HE2 GLN 7 0.435 -15.947 -5.365 406 HE22 GLN 7 2HE2 GLN 7 -0.423 -17.397 -5.902 407 H VAL 8 H VAL 8 0.432 -12.543 -1.971 408 HA VAL 8 HA VAL 8 2.920 -12.845 -3.566 409 HB VAL 8 HB VAL 8 2.078 -10.786 -1.502 410 HG11 VAL 8 1HG1 VAL 8 3.974 -9.428 -2.375 411 HG12 VAL 8 2HG1 VAL 8 4.513 -10.864 -1.508 412 HG13 VAL 8 3HG1 VAL 8 4.544 -10.842 -3.289 413 HG21 VAL 8 3HG2 VAL 8 2.264 -10.693 -4.550 414 HG22 VAL 8 1HG2 VAL 8 0.778 -10.590 -3.579 415 HG23 VAL 8 2HG2 VAL 8 1.964 -9.285 -3.516 416 H THR 9 H THR 9 1.720 -13.719 -0.442 417 HA THR 9 HA THR 9 4.436 -14.709 0.391 418 HB THR 9 HB THR 9 4.103 -14.097 2.655 419 HG1 THR 9 HG1 THR 9 2.263 -13.098 3.369 420 HG21 THR 9 3HG2 THR 9 3.222 -11.671 1.031 421 HG22 THR 9 1HG2 THR 9 4.901 -12.251 1.139 422 HG23 THR 9 2HG2 THR 9 4.064 -11.678 2.589 423 H GLY 10 H GLY 10 0.964 -15.163 0.607 424 HA2 GLY 10 2HA GLY 10 -0.107 -17.350 0.524 425 HA3 GLY 10 3HA GLY 10 1.363 -18.096 1.132 426 H GLU 11 H GLU 11 0.755 -15.294 2.975 427 HA GLU 11 HA GLU 11 -0.305 -16.838 5.225 428 HB2 GLU 11 2HB GLU 11 0.554 -13.970 4.802 429 HB3 GLU 11 3HB GLU 11 -0.242 -14.474 6.300 430 HG2 GLU 11 2HG GLU 11 2.188 -15.908 5.210 431 HG3 GLU 11 3HG GLU 11 2.320 -14.478 6.238 432 H VAL 12 H VAL 12 -2.143 -16.613 6.266 433 HA VAL 12 HA VAL 12 -4.438 -15.242 4.912 434 HB VAL 12 HB VAL 12 -4.858 -17.435 4.367 435 HG11 VAL 12 1HG1 VAL 12 -4.210 -18.316 7.209 436 HG12 VAL 12 2HG1 VAL 12 -4.881 -19.353 5.933 437 HG13 VAL 12 3HG1 VAL 12 -3.268 -18.668 5.741 438 HG21 VAL 12 3HG2 VAL 12 -6.813 -16.266 5.476 439 HG22 VAL 12 1HG2 VAL 12 -6.889 -18.033 5.482 440 HG23 VAL 12 2HG2 VAL 12 -6.434 -17.163 6.957 441 H SER 13 H SER 13 -5.497 -13.832 6.041 442 HA SER 13 HA SER 13 -5.827 -14.245 8.988 443 HB2 SER 13 2HB SER 13 -4.311 -12.350 8.618 444 HB3 SER 13 3HB SER 13 -5.521 -11.570 7.578 445 HG SER 13 HG SER 13 -5.420 -11.000 9.948 446 H ASP 14 H ASP 14 -7.862 -13.579 9.846 447 HA ASP 14 HA ASP 14 -10.171 -13.671 8.031 448 HB2 ASP 14 2HB ASP 14 -10.132 -12.923 10.966 449 HB3 ASP 14 3HB ASP 14 -11.518 -13.433 10.008 450 H ASP 15 H ASP 15 -8.089 -11.212 9.354 451 HA ASP 15 HA ASP 15 -9.829 -8.987 8.536 452 HB2 ASP 15 2HB ASP 15 -7.310 -9.012 10.218 453 HB3 ASP 15 3HB ASP 15 -8.407 -7.664 9.961 454 H ASN 16 H ASN 16 -8.583 -10.617 6.526 455 HA ASN 16 HA ASN 16 -6.049 -9.847 5.699 456 HB2 ASN 16 2HB ASN 16 -6.602 -10.912 3.566 457 HB3 ASN 16 3HB ASN 16 -7.130 -11.869 4.928 458 HD21 ASN 16 1HD2 ASN 16 -8.225 -9.937 2.178 459 HD22 ASN 16 2HD2 ASN 16 -9.892 -10.491 2.291 460 H LEU 17 H LEU 17 -5.161 -8.671 4.150 461 HA LEU 17 HA LEU 17 -6.301 -6.070 3.529 462 HB2 LEU 17 2HB LEU 17 -3.445 -7.160 3.249 463 HB3 LEU 17 3HB LEU 17 -3.918 -5.468 3.204 464 HG LEU 17 HG LEU 17 -4.216 -7.321 5.603 465 HD11 LEU 17 1HD1 LEU 17 -2.251 -5.092 5.224 466 HD12 LEU 17 2HD1 LEU 17 -1.891 -6.788 5.081 467 HD13 LEU 17 3HD1 LEU 17 -2.433 -6.132 6.639 468 HD21 LEU 17 3HD2 LEU 17 -5.863 -5.806 6.067 469 HD22 LEU 17 1HD2 LEU 17 -5.165 -4.536 5.058 470 HD23 LEU 17 2HD2 LEU 17 -4.470 -4.876 6.644 471 H LYS 18 H LYS 18 -5.668 -5.050 1.381 472 HA LYS 18 HA LYS 18 -5.636 -6.975 -0.850 473 HB2 LYS 18 2HB LYS 18 -7.897 -4.987 -0.435 474 HB3 LYS 18 3HB LYS 18 -7.505 -5.757 -1.983 475 HG2 LYS 18 2HG LYS 18 -7.823 -7.967 -1.074 476 HG3 LYS 18 3HG LYS 18 -8.315 -7.298 0.491 477 HD2 LYS 18 2HD LYS 18 -9.749 -6.689 -2.132 478 HD3 LYS 18 3HD LYS 18 -10.169 -8.048 -1.078 479 HE2 LYS 18 2HE LYS 18 -10.574 -6.530 0.804 480 HE3 LYS 18 3HE LYS 18 -10.146 -5.131 -0.193 481 HZ1 LYS 18 3HZ LYS 18 -12.554 -5.444 -0.106 482 HZ2 LYS 18 1HZ LYS 18 -12.440 -6.955 -0.706 483 HZ3 LYS 18 2HZ LYS 18 -12.044 -5.672 -1.639 484 H LEU 19 H LEU 19 -5.166 -6.221 -2.873 485 HA LEU 19 HA LEU 19 -2.934 -4.500 -2.819 486 HB2 LEU 19 2HB LEU 19 -3.360 -6.655 -4.100 487 HB3 LEU 19 3HB LEU 19 -4.294 -5.743 -5.245 488 HG LEU 19 HG LEU 19 -1.501 -4.712 -4.774 489 HD11 LEU 19 1HD1 LEU 19 -1.047 -7.092 -4.687 490 HD12 LEU 19 2HD1 LEU 19 -0.511 -6.444 -6.239 491 HD13 LEU 19 3HD1 LEU 19 -2.025 -7.377 -6.145 492 HD21 LEU 19 3HD2 LEU 19 -2.968 -5.450 -7.348 493 HD22 LEU 19 1HD2 LEU 19 -1.524 -4.434 -7.180 494 HD23 LEU 19 2HD2 LEU 19 -3.089 -3.856 -6.590 495 H ALA 20 H ALA 20 -2.437 -2.895 -4.664 496 HA ALA 20 HA ALA 20 -4.024 -0.634 -3.750 497 HB1 ALA 20 3HB ALA 20 -2.225 0.726 -4.739 498 HB2 ALA 20 1HB ALA 20 -1.581 -0.536 -3.672 499 HB3 ALA 20 2HB ALA 20 -1.498 -0.737 -5.439 500 H GLY 21 H GLY 21 -5.396 0.687 -4.957 501 HA2 GLY 21 2HA GLY 21 -6.232 -0.312 -7.623 502 HA3 GLY 21 3HA GLY 21 -7.142 0.715 -6.527 503 H GLY 22 H GLY 22 -5.533 2.746 -5.956 504 HA2 GLY 22 2HA GLY 22 -4.010 4.342 -6.802 505 HA3 GLY 22 3HA GLY 22 -4.516 4.031 -8.460 506 H LYS 23 H LYS 23 -6.054 4.977 -5.333 507 HA LYS 23 HA LYS 23 -8.186 6.378 -6.800 508 HB2 LYS 23 2HB LYS 23 -7.862 6.084 -3.795 509 HB3 LYS 23 3HB LYS 23 -9.295 6.629 -4.674 510 HG2 LYS 23 2HG LYS 23 -9.191 4.322 -5.884 511 HG3 LYS 23 3HG LYS 23 -8.098 3.842 -4.581 512 HD2 LYS 23 2HD LYS 23 -10.991 4.768 -4.348 513 HD3 LYS 23 3HD LYS 23 -10.358 3.144 -4.053 514 HE2 LYS 23 2HE LYS 23 -9.031 4.050 -2.125 515 HE3 LYS 23 3HE LYS 23 -9.751 5.640 -2.401 516 HZ1 LYS 23 3HZ LYS 23 -11.263 3.180 -1.701 517 HZ2 LYS 23 1HZ LYS 23 -11.938 4.645 -1.967 518 HZ3 LYS 23 2HZ LYS 23 -10.952 4.418 -0.687 519 H LEU 24 H LEU 24 -5.461 7.440 -4.866 520 HA LEU 24 HA LEU 24 -5.747 10.174 -5.832 521 HB2 LEU 24 2HB LEU 24 -7.141 9.976 -3.659 522 HB3 LEU 24 3HB LEU 24 -5.613 9.682 -2.821 523 HG LEU 24 HG LEU 24 -4.802 11.924 -3.473 524 HD11 LEU 24 1HD1 LEU 24 -5.993 12.324 -5.594 525 HD12 LEU 24 2HD1 LEU 24 -6.410 13.577 -4.428 526 HD13 LEU 24 3HD1 LEU 24 -7.554 12.256 -4.747 527 HD21 LEU 24 3HD2 LEU 24 -7.565 11.938 -2.210 528 HD22 LEU 24 1HD2 LEU 24 -6.335 13.213 -2.082 529 HD23 LEU 24 2HD2 LEU 24 -6.027 11.618 -1.374 530 H VAL 25 H VAL 25 -3.745 11.466 -5.325 531 HA VAL 25 HA VAL 25 -1.432 9.675 -5.529 532 HB VAL 25 HB VAL 25 -1.738 12.645 -6.060 533 HG11 VAL 25 1HG1 VAL 25 0.766 10.909 -6.258 534 HG12 VAL 25 2HG1 VAL 25 0.585 12.503 -7.009 535 HG13 VAL 25 3HG1 VAL 25 0.547 12.370 -5.262 536 HG21 VAL 25 3HG2 VAL 25 -1.259 11.932 -8.388 537 HG22 VAL 25 1HG2 VAL 25 -1.152 10.243 -7.854 538 HG23 VAL 25 2HG2 VAL 25 -2.700 11.115 -7.765 539 H LEU 26 H LEU 26 0.073 9.418 -4.272 540 HA LEU 26 HA LEU 26 0.684 11.119 -1.910 541 HB2 LEU 26 2HB LEU 26 0.298 8.112 -1.933 542 HB3 LEU 26 3HB LEU 26 1.283 8.946 -0.744 543 HG LEU 26 HG LEU 26 -0.784 10.455 -0.308 544 HD11 LEU 26 1HD1 LEU 26 -2.135 7.961 -1.497 545 HD12 LEU 26 2HD1 LEU 26 -2.325 9.589 -2.126 546 HD13 LEU 26 3HD1 LEU 26 -2.972 9.227 -0.557 547 HD21 LEU 26 3HD2 LEU 26 -1.785 8.570 1.190 548 HD22 LEU 26 1HD2 LEU 26 -0.172 9.172 1.462 549 HD23 LEU 26 2HD2 LEU 26 -0.397 7.642 0.586 550 H SER 27 H SER 27 2.994 10.973 -1.163 551 HA SER 27 HA SER 27 4.851 10.144 -3.347 552 HB2 SER 27 2HB SER 27 4.881 12.488 -2.441 553 HB3 SER 27 3HB SER 27 5.343 11.810 -0.880 554 HG SER 27 HG SER 27 7.163 12.448 -2.231 555 H LYS 28 H LYS 28 7.038 9.639 -1.930 556 HA LYS 28 HA LYS 28 6.956 6.916 -1.271 557 HB2 LYS 28 2HB LYS 28 8.900 8.677 -1.693 558 HB3 LYS 28 3HB LYS 28 8.906 8.836 0.057 559 HG2 LYS 28 2HG LYS 28 9.274 6.365 0.221 560 HG3 LYS 28 3HG LYS 28 9.315 6.273 -1.550 561 HD2 LYS 28 2HD LYS 28 11.264 7.937 -1.452 562 HD3 LYS 28 3HD LYS 28 11.242 7.735 0.311 563 HE2 LYS 28 2HE LYS 28 11.545 5.256 -0.018 564 HE3 LYS 28 3HE LYS 28 11.643 5.528 -1.764 565 HZ1 LYS 28 3HZ LYS 28 13.606 6.963 -1.314 566 HZ2 LYS 28 1HZ LYS 28 13.858 5.421 -0.843 567 HZ3 LYS 28 2HZ LYS 28 13.540 6.576 0.274 568 H GLU 29 H GLU 29 6.652 9.682 0.898 569 HA GLU 29 HA GLU 29 6.550 7.934 3.261 570 HB2 GLU 29 2HB GLU 29 6.431 10.939 3.016 571 HB3 GLU 29 3HB GLU 29 6.279 10.051 4.540 572 HG2 GLU 29 2HG GLU 29 8.491 8.978 4.130 573 HG3 GLU 29 3HG GLU 29 8.674 9.931 2.657 574 H GLY 30 H GLY 30 4.231 9.777 1.229 575 HA2 GLY 30 2HA GLY 30 1.949 9.392 2.941 576 HA3 GLY 30 3HA GLY 30 1.989 9.669 1.191 577 H ALA 31 H ALA 31 3.319 7.436 0.187 578 HA ALA 31 HA ALA 31 1.372 5.413 0.290 579 HB1 ALA 31 3HB ALA 31 4.309 5.260 -0.582 580 HB2 ALA 31 1HB ALA 31 3.119 3.995 -0.894 581 HB3 ALA 31 2HB ALA 31 2.916 5.596 -1.631 582 H GLU 32 H GLU 32 4.581 5.625 1.964 583 HA GLU 32 HA GLU 32 4.178 3.114 3.241 584 HB2 GLU 32 2HB GLU 32 5.989 3.339 4.538 585 HB3 GLU 32 3HB GLU 32 6.323 4.245 3.069 586 HG2 GLU 32 2HG GLU 32 5.875 6.334 4.265 587 HG3 GLU 32 3HG GLU 32 5.476 5.455 5.728 588 H GLN 33 H GLN 33 2.937 6.362 4.111 589 HA GLN 33 HA GLN 33 2.098 5.621 6.806 590 HB2 GLN 33 2HB GLN 33 2.544 7.977 5.974 591 HB3 GLN 33 3HB GLN 33 1.048 7.858 5.047 592 HG2 GLN 33 2HG GLN 33 0.593 9.031 7.099 593 HG3 GLN 33 3HG GLN 33 -0.192 7.461 7.214 594 HE21 GLN 33 1HE2 GLN 33 2.721 9.325 8.258 595 HE22 GLN 33 2HE2 GLN 33 2.989 8.351 9.696 596 H ILE 34 H ILE 34 0.630 5.420 3.568 597 HA ILE 34 HA ILE 34 -1.976 4.501 4.555 598 HB ILE 34 HB ILE 34 -0.675 3.684 1.943 599 HG12 ILE 34 2HG1 ILE 34 -2.781 5.828 2.471 600 HG13 ILE 34 3HG1 ILE 34 -1.066 6.192 2.313 601 HG21 ILE 34 1HG2 ILE 34 -2.485 2.164 2.777 602 HG22 ILE 34 2HG2 ILE 34 -3.541 3.539 3.043 603 HG23 ILE 34 3HG2 ILE 34 -3.071 3.055 1.393 604 HD11 ILE 34 3HD1 ILE 34 -2.641 4.715 0.151 605 HD12 ILE 34 1HD1 ILE 34 -2.400 6.453 0.172 606 HD13 ILE 34 2HD1 ILE 34 -1.000 5.362 0.031 607 H ILE 35 H ILE 35 1.058 2.726 3.640 608 HA ILE 35 HA ILE 35 -0.051 0.249 4.454 609 HB ILE 35 HB ILE 35 2.398 1.111 3.451 610 HG12 ILE 35 2HG1 ILE 35 0.852 -0.603 2.583 611 HG13 ILE 35 3HG1 ILE 35 2.495 -1.194 2.649 612 HG21 ILE 35 1HG2 ILE 35 3.545 0.894 5.586 613 HG22 ILE 35 2HG2 ILE 35 2.890 -0.736 5.836 614 HG23 ILE 35 3HG2 ILE 35 4.039 -0.436 4.531 615 HD11 ILE 35 3HD1 ILE 35 2.062 -2.560 4.588 616 HD12 ILE 35 1HD1 ILE 35 0.435 -1.843 4.792 617 HD13 ILE 35 2HD1 ILE 35 0.791 -2.810 3.393 618 H SER 36 H SER 36 1.371 2.694 6.463 619 HA SER 36 HA SER 36 1.367 1.113 8.879 620 HB2 SER 36 2HB SER 36 2.410 3.399 8.656 621 HB3 SER 36 3HB SER 36 0.773 4.088 8.694 622 HG SER 36 HG SER 36 1.716 4.010 10.779 623 H GLU 37 H GLU 37 -1.207 3.123 7.277 624 HA GLU 37 HA GLU 37 -3.242 2.500 9.234 625 HB2 GLU 37 2HB GLU 37 -3.516 3.279 6.303 626 HB3 GLU 37 3HB GLU 37 -4.843 3.175 7.443 627 HG2 GLU 37 2HG GLU 37 -2.472 5.055 7.805 628 HG3 GLU 37 3HG GLU 37 -3.955 5.487 6.976 629 H ILE 38 H ILE 38 -2.454 0.910 6.079 630 HA ILE 38 HA ILE 38 -4.529 -1.004 6.132 631 HB ILE 38 HB ILE 38 -1.810 -0.820 4.818 632 HG12 ILE 38 2HG1 ILE 38 -4.673 -0.768 3.725 633 HG13 ILE 38 3HG1 ILE 38 -3.703 0.659 4.056 634 HG21 ILE 38 1HG2 ILE 38 -2.427 -2.748 3.374 635 HG22 ILE 38 2HG2 ILE 38 -1.959 -3.086 5.024 636 HG23 ILE 38 3HG2 ILE 38 -3.692 -3.123 4.546 637 HD11 ILE 38 3HD1 ILE 38 -3.232 -1.418 1.874 638 HD12 ILE 38 1HD1 ILE 38 -3.598 0.296 1.701 639 HD13 ILE 38 2HD1 ILE 38 -2.014 -0.206 2.335 640 H GLN 39 H GLN 39 -1.156 -1.378 7.263 641 HA GLN 39 HA GLN 39 -1.523 -4.081 8.205 642 HB2 GLN 39 2HB GLN 39 0.550 -1.935 8.802 643 HB3 GLN 39 3HB GLN 39 0.510 -3.521 9.594 644 HG2 GLN 39 2HG GLN 39 0.563 -4.527 7.199 645 HG3 GLN 39 3HG GLN 39 1.084 -2.934 6.671 646 HE21 GLN 39 1HE2 GLN 39 2.535 -5.612 6.820 647 HE22 GLN 39 2HE2 GLN 39 4.025 -5.199 7.642 648 H ASN 40 H ASN 40 -1.966 -0.893 9.721 649 HA ASN 40 HA ASN 40 -2.667 -1.983 12.344 650 HB2 ASN 40 2HB ASN 40 -2.954 0.689 10.990 651 HB3 ASN 40 3HB ASN 40 -3.897 0.358 12.433 652 HD21 ASN 40 1HD2 ASN 40 -0.685 1.052 11.292 653 HD22 ASN 40 2HD2 ASN 40 0.051 1.096 12.895 654 H GLN 41 H GLN 41 -4.581 -1.588 9.314 655 HA GLN 41 HA GLN 41 -7.107 -2.028 10.724 656 HB2 GLN 41 2HB GLN 41 -6.418 -2.184 7.763 657 HB3 GLN 41 3HB GLN 41 -8.009 -2.476 8.446 658 HG2 GLN 41 2HG GLN 41 -7.378 -0.015 9.573 659 HG3 GLN 41 3HG GLN 41 -6.616 0.093 7.987 660 HE21 GLN 41 1HE2 GLN 41 -9.726 -0.627 9.627 661 HE22 GLN 41 2HE2 GLN 41 -10.723 -0.104 8.262 662 H LEU 42 H LEU 42 -4.771 -4.163 9.030 663 HA LEU 42 HA LEU 42 -6.263 -6.548 9.671 664 HB2 LEU 42 2HB LEU 42 -4.441 -6.455 8.083 665 HB3 LEU 42 3HB LEU 42 -3.248 -6.277 9.342 666 HG LEU 42 HG LEU 42 -5.142 -8.658 9.457 667 HD11 LEU 42 1HD1 LEU 42 -4.484 -8.804 7.188 668 HD12 LEU 42 2HD1 LEU 42 -3.466 -9.950 8.062 669 HD13 LEU 42 3HD1 LEU 42 -2.798 -8.375 7.571 670 HD21 LEU 42 3HD2 LEU 42 -3.130 -9.792 10.361 671 HD22 LEU 42 1HD2 LEU 42 -3.487 -8.341 11.293 672 HD23 LEU 42 2HD2 LEU 42 -2.180 -8.317 10.099 673 H GLN 43 H GLN 43 -3.836 -4.749 11.561 674 HA GLN 43 HA GLN 43 -3.720 -6.608 13.703 675 HB2 GLN 43 2HB GLN 43 -2.037 -4.881 13.083 676 HB3 GLN 43 3HB GLN 43 -3.085 -3.636 13.777 677 HG2 GLN 43 2HG GLN 43 -2.863 -4.633 16.000 678 HG3 GLN 43 3HG GLN 43 -1.992 -6.021 15.332 679 HE21 GLN 43 1HE2 GLN 43 -1.665 -2.646 16.350 680 HE22 GLN 43 2HE2 GLN 43 0.062 -2.566 16.039 681 H ASN 44 H ASN 44 -5.649 -3.553 13.548 682 HA ASN 44 HA ASN 44 -7.557 -4.574 15.546 683 HB2 ASN 44 2HB ASN 44 -5.550 -3.817 16.891 684 HB3 ASN 44 3HB ASN 44 -5.732 -2.202 16.208 685 HD21 ASN 44 1HD2 ASN 44 -7.669 -4.712 17.966 686 HD22 ASN 44 2HD2 ASN 44 -8.516 -3.531 18.954 687 H LEU 45 H LEU 45 -6.559 -1.870 13.446 688 HA LEU 45 HA LEU 45 -8.544 -0.050 14.346 689 HB2 LEU 45 2HB LEU 45 -6.377 0.614 13.478 690 HB3 LEU 45 3HB LEU 45 -6.742 -0.089 11.908 691 HG LEU 45 HG LEU 45 -8.518 1.597 11.532 692 HD11 LEU 45 1HD1 LEU 45 -8.620 3.587 13.016 693 HD12 LEU 45 2HD1 LEU 45 -7.541 2.776 14.172 694 HD13 LEU 45 3HD1 LEU 45 -9.166 2.129 13.847 695 HD21 LEU 45 3HD2 LEU 45 -6.202 1.976 10.758 696 HD22 LEU 45 1HD2 LEU 45 -5.812 2.766 12.302 697 HD23 LEU 45 2HD2 LEU 45 -6.999 3.494 11.198 698 H LYS 46 H LYS 46 -10.647 -0.200 14.051 699 HA LYS 46 HA LYS 46 -11.819 -0.583 11.345 700 HB2 LYS 46 2HB LYS 46 -12.688 -2.084 13.855 701 HB3 LYS 46 3HB LYS 46 -13.594 -2.020 12.339 702 HG2 LYS 46 2HG LYS 46 -11.663 -3.074 11.151 703 HG3 LYS 46 3HG LYS 46 -10.812 -3.217 12.702 704 HD2 LYS 46 2HD LYS 46 -12.656 -4.624 13.587 705 HD3 LYS 46 3HD LYS 46 -13.477 -4.521 12.010 706 HE2 LYS 46 2HE LYS 46 -11.485 -5.536 10.917 707 HE3 LYS 46 3HE LYS 46 -10.670 -5.629 12.481 708 HZ1 LYS 46 3HZ LYS 46 -11.661 -7.734 11.911 709 HZ2 LYS 46 1HZ LYS 46 -13.158 -7.081 11.758 710 HZ3 LYS 46 2HZ LYS 46 -12.433 -7.144 13.228 Start of MODEL 3 1 H1 MET 1 1H MET 1 -2.766 26.012 -6.002 2 H2 MET 1 2H MET 1 -2.794 24.454 -5.487 3 H3 MET 1 3H MET 1 -4.074 25.075 -6.287 4 HA MET 1 HA MET 1 -2.801 25.319 -8.305 5 HB2 MET 1 2HB MET 1 -0.574 24.007 -6.677 6 HB3 MET 1 3HB MET 1 -0.561 24.197 -8.431 7 HG2 MET 1 2HG MET 1 -0.578 26.450 -6.394 8 HG3 MET 1 3HG MET 1 0.768 25.930 -7.400 9 HE1 MET 1 3HE MET 1 -0.026 29.473 -8.843 10 HE2 MET 1 1HE MET 1 -0.130 28.954 -7.147 11 HE3 MET 1 2HE MET 1 1.219 28.401 -8.168 12 H ASN 2 H ASN 2 -2.667 23.610 -9.878 13 HA ASN 2 HA ASN 2 -4.303 21.292 -9.108 14 HB2 ASN 2 2HB ASN 2 -4.703 21.065 -11.465 15 HB3 ASN 2 3HB ASN 2 -4.882 22.758 -11.035 16 HD21 ASN 2 1HD2 ASN 2 -3.349 20.592 -13.193 17 HD22 ASN 2 2HD2 ASN 2 -2.208 21.748 -13.867 18 H CYS 3 H CYS 3 -1.019 21.676 -9.058 19 HA CYS 3 HA CYS 3 -0.028 19.447 -10.512 20 HB2 CYS 3 2HB CYS 3 1.132 20.866 -8.073 21 HB3 CYS 3 3HB CYS 3 2.027 19.824 -9.188 22 HG CYS 3 HG CYS 3 2.651 22.326 -9.674 23 H MET 4 H MET 4 0.730 17.406 -9.861 24 HA MET 4 HA MET 4 -0.819 16.025 -7.832 25 HB2 MET 4 2HB MET 4 1.355 15.231 -9.781 26 HB3 MET 4 3HB MET 4 0.996 14.189 -8.429 27 HG2 MET 4 2HG MET 4 -0.358 13.421 -10.210 28 HG3 MET 4 3HG MET 4 -1.425 14.218 -9.060 29 HE1 MET 4 3HE MET 4 0.140 14.190 -12.617 30 HE2 MET 4 1HE MET 4 -0.328 15.762 -13.299 31 HE3 MET 4 2HE MET 4 0.898 15.684 -12.019 32 H THR 5 H THR 5 -0.477 16.143 -5.745 33 HA THR 5 HA THR 5 2.228 15.749 -4.619 34 HB THR 5 HB THR 5 1.702 18.176 -4.721 35 HG1 THR 5 HG1 THR 5 2.372 18.492 -2.593 36 HG21 THR 5 3HG2 THR 5 -0.403 17.578 -2.586 37 HG22 THR 5 1HG2 THR 5 -0.745 18.121 -4.244 38 HG23 THR 5 2HG2 THR 5 0.140 19.177 -3.134 39 H CYS 6 H CYS 6 2.218 14.921 -2.468 40 HA CYS 6 HA CYS 6 0.218 12.994 -1.894 41 HB2 CYS 6 2HB CYS 6 2.658 12.889 -1.229 42 HB3 CYS 6 3HB CYS 6 2.333 14.170 -0.079 43 HG CYS 6 HG CYS 6 2.363 12.106 1.349 44 H GLN 7 H GLN 7 -1.816 13.229 -1.036 45 HA GLN 7 HA GLN 7 -2.432 15.712 0.409 46 HB2 GLN 7 2HB GLN 7 -3.976 14.556 -1.173 47 HB3 GLN 7 3HB GLN 7 -4.246 13.314 0.068 48 HG2 GLN 7 2HG GLN 7 -5.135 15.033 1.606 49 HG3 GLN 7 3HG GLN 7 -4.698 16.317 0.478 50 HE21 GLN 7 1HE2 GLN 7 -7.162 13.999 1.348 51 HE22 GLN 7 2HE2 GLN 7 -8.248 14.406 0.029 52 H VAL 8 H VAL 8 -1.172 12.685 1.398 53 HA VAL 8 HA VAL 8 -2.098 12.911 4.205 54 HB VAL 8 HB VAL 8 -0.433 10.806 2.789 55 HG11 VAL 8 1HG1 VAL 8 -0.976 9.356 4.743 56 HG12 VAL 8 2HG1 VAL 8 0.098 10.690 5.159 57 HG13 VAL 8 3HG1 VAL 8 -1.629 10.778 5.588 58 HG21 VAL 8 3HG2 VAL 8 -2.528 9.436 3.030 59 HG22 VAL 8 1HG2 VAL 8 -3.366 10.875 3.638 60 HG23 VAL 8 2HG2 VAL 8 -2.751 10.829 1.971 61 H THR 9 H THR 9 0.682 13.758 2.366 62 HA THR 9 HA THR 9 2.195 14.481 4.862 63 HB THR 9 HB THR 9 4.286 13.800 3.983 64 HG1 THR 9 HG1 THR 9 4.512 12.896 1.978 65 HG21 THR 9 3HG2 THR 9 4.078 11.399 3.815 66 HG22 THR 9 1HG2 THR 9 2.365 11.516 3.365 67 HG23 THR 9 2HG2 THR 9 2.895 11.971 5.002 68 H GLY 10 H GLY 10 1.688 15.147 1.440 69 HA2 GLY 10 2HA GLY 10 1.462 17.431 0.587 70 HA3 GLY 10 3HA GLY 10 2.473 18.018 1.895 71 H GLU 11 H GLU 11 3.917 15.186 0.710 72 HA GLU 11 HA GLU 11 5.916 16.703 -0.798 73 HB2 GLU 11 2HB GLU 11 5.627 13.814 0.061 74 HB3 GLU 11 3HB GLU 11 6.930 14.335 -1.012 75 HG2 GLU 11 2HG GLU 11 6.337 15.431 1.745 76 HG3 GLU 11 3HG GLU 11 7.625 14.284 1.337 77 H VAL 12 H VAL 12 6.579 16.446 -2.791 78 HA VAL 12 HA VAL 12 4.695 15.247 -4.791 79 HB VAL 12 HB VAL 12 4.263 17.487 -5.053 80 HG11 VAL 12 1HG1 VAL 12 6.018 18.556 -3.743 81 HG12 VAL 12 2HG1 VAL 12 7.237 18.130 -4.967 82 HG13 VAL 12 3HG1 VAL 12 5.941 19.280 -5.349 83 HG21 VAL 12 3HG2 VAL 12 4.879 16.285 -7.202 84 HG22 VAL 12 1HG2 VAL 12 4.987 18.051 -7.258 85 HG23 VAL 12 2HG2 VAL 12 6.463 17.079 -7.117 86 H SER 13 H SER 13 5.490 13.738 -6.034 87 HA SER 13 HA SER 13 8.314 13.913 -6.979 88 HB2 SER 13 2HB SER 13 6.876 11.342 -6.217 89 HB3 SER 13 3HB SER 13 8.542 11.506 -6.793 90 HG SER 13 HG SER 13 8.956 12.759 -4.866 91 H ASP 14 H ASP 14 8.576 13.426 -9.170 92 HA ASP 14 HA ASP 14 6.266 13.496 -10.873 93 HB2 ASP 14 2HB ASP 14 9.057 12.617 -11.657 94 HB3 ASP 14 3HB ASP 14 7.802 13.261 -12.709 95 H ASP 15 H ASP 15 8.127 10.839 -9.568 96 HA ASP 15 HA ASP 15 6.719 8.740 -11.022 97 HB2 ASP 15 2HB ASP 15 8.684 8.560 -8.729 98 HB3 ASP 15 3HB ASP 15 8.144 7.256 -9.778 99 H ASN 16 H ASN 16 4.905 10.366 -9.776 100 HA ASN 16 HA ASN 16 4.302 10.063 -7.118 101 HB2 ASN 16 2HB ASN 16 1.920 10.686 -7.822 102 HB3 ASN 16 3HB ASN 16 3.225 11.796 -8.197 103 HD21 ASN 16 1HD2 ASN 16 2.078 8.855 -9.973 104 HD22 ASN 16 2HD2 ASN 16 1.704 9.763 -11.442 105 H LEU 17 H LEU 17 3.574 8.602 -5.766 106 HA LEU 17 HA LEU 17 2.479 6.058 -6.590 107 HB2 LEU 17 2HB LEU 17 2.925 7.205 -3.779 108 HB3 LEU 17 3HB LEU 17 2.692 5.519 -4.197 109 HG LEU 17 HG LEU 17 5.054 7.249 -5.008 110 HD11 LEU 17 1HD1 LEU 17 4.871 5.035 -2.993 111 HD12 LEU 17 2HD1 LEU 17 5.065 6.730 -2.660 112 HD13 LEU 17 3HD1 LEU 17 6.360 5.840 -3.489 113 HD21 LEU 17 3HD2 LEU 17 4.182 4.531 -5.891 114 HD22 LEU 17 1HD2 LEU 17 5.893 4.762 -5.516 115 HD23 LEU 17 2HD2 LEU 17 5.107 5.770 -6.740 116 H LYS 18 H LYS 18 0.503 5.167 -5.526 117 HA LYS 18 HA LYS 18 -1.551 7.224 -5.037 118 HB2 LYS 18 2HB LYS 18 -1.925 5.113 -7.183 119 HB3 LYS 18 3HB LYS 18 -3.125 6.292 -6.618 120 HG2 LYS 18 2HG LYS 18 -1.493 8.121 -7.390 121 HG3 LYS 18 3HG LYS 18 -0.603 6.824 -8.204 122 HD2 LYS 18 2HD LYS 18 -2.005 7.615 -9.896 123 HD3 LYS 18 3HD LYS 18 -2.915 6.226 -9.284 124 HE2 LYS 18 2HE LYS 18 -4.133 7.927 -7.741 125 HE3 LYS 18 3HE LYS 18 -3.337 9.190 -8.686 126 HZ1 LYS 18 3HZ LYS 18 -5.487 8.799 -9.626 127 HZ2 LYS 18 1HZ LYS 18 -5.290 7.185 -9.663 128 HZ3 LYS 18 2HZ LYS 18 -4.430 8.148 -10.689 129 H LEU 19 H LEU 19 -3.461 6.641 -4.134 130 HA LEU 19 HA LEU 19 -3.175 4.807 -1.990 131 HB2 LEU 19 2HB LEU 19 -4.277 7.081 -2.090 132 HB3 LEU 19 3HB LEU 19 -5.673 6.341 -2.824 133 HG LEU 19 HG LEU 19 -4.779 5.168 -0.185 134 HD11 LEU 19 1HD1 LEU 19 -4.430 7.539 0.259 135 HD12 LEU 19 2HD1 LEU 19 -5.896 6.986 1.073 136 HD13 LEU 19 3HD1 LEU 19 -6.022 7.939 -0.424 137 HD21 LEU 19 3HD2 LEU 19 -7.174 5.091 0.222 138 HD22 LEU 19 1HD2 LEU 19 -6.900 4.494 -1.420 139 HD23 LEU 19 2HD2 LEU 19 -7.503 6.140 -1.174 140 H ALA 20 H ALA 20 -4.916 3.299 -1.217 141 HA ALA 20 HA ALA 20 -4.776 1.152 -3.225 142 HB1 ALA 20 3HB ALA 20 -5.064 -0.384 -1.319 143 HB2 ALA 20 1HB ALA 20 -3.734 0.759 -1.040 144 HB3 ALA 20 2HB ALA 20 -5.302 1.003 -0.236 145 H GLY 21 H GLY 21 -6.551 -0.427 -3.568 146 HA2 GLY 21 2HA GLY 21 -9.290 0.579 -2.957 147 HA3 GLY 21 3HA GLY 21 -8.787 0.392 -4.638 148 H GLY 22 H GLY 22 -7.237 -2.095 -4.156 149 HA2 GLY 22 2HA GLY 22 -7.382 -4.108 -3.017 150 HA3 GLY 22 3HA GLY 22 -9.132 -3.974 -2.845 151 H LYS 23 H LYS 23 -6.541 -4.389 -5.292 152 HA LYS 23 HA LYS 23 -8.331 -5.668 -7.220 153 HB2 LYS 23 2HB LYS 23 -5.295 -5.500 -7.211 154 HB3 LYS 23 3HB LYS 23 -6.294 -6.084 -8.539 155 HG2 LYS 23 2HG LYS 23 -7.382 -3.835 -8.689 156 HG3 LYS 23 3HG LYS 23 -6.275 -3.243 -7.432 157 HD2 LYS 23 2HD LYS 23 -4.331 -3.847 -8.870 158 HD3 LYS 23 3HD LYS 23 -5.447 -4.422 -10.127 159 HE2 LYS 23 2HE LYS 23 -6.430 -2.137 -10.278 160 HE3 LYS 23 3HE LYS 23 -5.292 -1.581 -9.039 161 HZ1 LYS 23 3HZ LYS 23 -4.506 -2.652 -11.694 162 HZ2 LYS 23 1HZ LYS 23 -3.468 -2.133 -10.541 163 HZ3 LYS 23 2HZ LYS 23 -4.480 -1.077 -11.265 164 H LEU 24 H LEU 24 -6.110 -6.902 -4.803 165 HA LEU 24 HA LEU 24 -7.208 -9.592 -5.009 166 HB2 LEU 24 2HB LEU 24 -5.324 -9.412 -6.763 167 HB3 LEU 24 3HB LEU 24 -4.206 -9.204 -5.413 168 HG LEU 24 HG LEU 24 -4.742 -11.464 -4.586 169 HD11 LEU 24 1HD1 LEU 24 -6.089 -13.015 -6.006 170 HD12 LEU 24 2HD1 LEU 24 -6.595 -11.637 -7.006 171 HD13 LEU 24 3HD1 LEU 24 -7.086 -11.747 -5.301 172 HD21 LEU 24 3HD2 LEU 24 -2.945 -11.191 -6.224 173 HD22 LEU 24 1HD2 LEU 24 -4.106 -11.373 -7.560 174 HD23 LEU 24 2HD2 LEU 24 -3.789 -12.733 -6.466 175 H VAL 25 H VAL 25 -6.466 -10.981 -3.196 176 HA VAL 25 HA VAL 25 -6.144 -9.355 -0.784 177 HB VAL 25 HB VAL 25 -6.802 -12.299 -1.173 178 HG11 VAL 25 1HG1 VAL 25 -6.622 -10.642 1.371 179 HG12 VAL 25 2HG1 VAL 25 -7.409 -12.226 1.261 180 HG13 VAL 25 3HG1 VAL 25 -5.680 -12.106 0.988 181 HG21 VAL 25 3HG2 VAL 25 -9.023 -11.575 -0.327 182 HG22 VAL 25 1HG2 VAL 25 -8.460 -9.902 -0.265 183 HG23 VAL 25 2HG2 VAL 25 -8.612 -10.739 -1.829 184 H LEU 26 H LEU 26 -4.625 -9.254 0.505 185 HA LEU 26 HA LEU 26 -2.203 -10.984 0.500 186 HB2 LEU 26 2HB LEU 26 -2.278 -7.976 0.210 187 HB3 LEU 26 3HB LEU 26 -0.922 -8.818 0.934 188 HG LEU 26 HG LEU 26 -0.935 -10.314 -1.211 189 HD11 LEU 26 1HD1 LEU 26 -2.276 -7.752 -2.247 190 HD12 LEU 26 2HD1 LEU 26 -2.976 -9.357 -2.352 191 HD13 LEU 26 3HD1 LEU 26 -1.546 -9.011 -3.279 192 HD21 LEU 26 3HD2 LEU 26 0.968 -9.124 -0.921 193 HD22 LEU 26 1HD2 LEU 26 0.125 -7.560 -0.871 194 HD23 LEU 26 2HD2 LEU 26 0.405 -8.398 -2.412 195 H SER 27 H SER 27 -0.902 -10.936 2.587 196 HA SER 27 HA SER 27 -2.628 -10.526 4.932 197 HB2 SER 27 2HB SER 27 -0.828 -11.724 6.042 198 HB3 SER 27 3HB SER 27 -1.261 -12.601 4.572 199 HG SER 27 HG SER 27 1.045 -12.256 4.879 200 H LYS 28 H LYS 28 -0.969 -9.756 6.822 201 HA LYS 28 HA LYS 28 -0.226 -7.019 6.647 202 HB2 LYS 28 2HB LYS 28 -0.310 -8.987 8.596 203 HB3 LYS 28 3HB LYS 28 1.424 -8.829 8.366 204 HG2 LYS 28 2HG LYS 28 1.170 -6.353 8.770 205 HG3 LYS 28 3HG LYS 28 -0.552 -6.615 9.089 206 HD2 LYS 28 2HD LYS 28 0.098 -8.187 10.948 207 HD3 LYS 28 3HD LYS 28 1.801 -7.818 10.622 208 HE2 LYS 28 2HE LYS 28 1.337 -5.399 11.089 209 HE3 LYS 28 3HE LYS 28 -0.342 -5.813 11.471 210 HZ1 LYS 28 3HZ LYS 28 0.543 -7.268 13.263 211 HZ2 LYS 28 1HZ LYS 28 0.963 -5.709 13.504 212 HZ3 LYS 28 2HZ LYS 28 2.065 -6.773 12.935 213 H GLU 29 H GLU 29 1.626 -9.945 5.927 214 HA GLU 29 HA GLU 29 4.080 -8.443 5.453 215 HB2 GLU 29 2HB GLU 29 3.447 -11.383 5.144 216 HB3 GLU 29 3HB GLU 29 5.034 -10.658 4.853 217 HG2 GLU 29 2HG GLU 29 5.023 -9.783 7.210 218 HG3 GLU 29 3HG GLU 29 3.519 -10.658 7.499 219 H GLY 30 H GLY 30 1.534 -10.037 3.462 220 HA2 GLY 30 2HA GLY 30 2.752 -9.593 0.914 221 HA3 GLY 30 3HA GLY 30 1.028 -9.751 1.299 222 H ALA 31 H ALA 31 0.516 -7.507 2.899 223 HA ALA 31 HA ALA 31 0.365 -5.431 0.992 224 HB1 ALA 31 3HB ALA 31 0.051 -5.308 4.035 225 HB2 ALA 31 1HB ALA 31 -0.416 -4.020 2.920 226 HB3 ALA 31 2HB ALA 31 -1.249 -5.585 2.856 227 H GLU 32 H GLU 32 2.619 -5.888 3.795 228 HA GLU 32 HA GLU 32 3.944 -3.410 3.239 229 HB2 GLU 32 2HB GLU 32 5.615 -3.871 4.714 230 HB3 GLU 32 3HB GLU 32 4.130 -4.569 5.352 231 HG2 GLU 32 2HG GLU 32 4.859 -6.781 4.679 232 HG3 GLU 32 3HG GLU 32 6.302 -6.146 3.911 233 H GLN 33 H GLN 33 4.320 -6.664 1.773 234 HA GLN 33 HA GLN 33 6.804 -6.021 0.402 235 HB2 GLN 33 2HB GLN 33 6.025 -8.361 0.814 236 HB3 GLN 33 3HB GLN 33 4.722 -8.096 -0.346 237 HG2 GLN 33 2HG GLN 33 6.578 -9.268 -1.420 238 HG3 GLN 33 3HG GLN 33 6.381 -7.682 -2.144 239 HE21 GLN 33 1HE2 GLN 33 8.507 -7.039 -2.754 240 HE22 GLN 33 2HE2 GLN 33 9.873 -7.179 -1.653 241 H ILE 34 H ILE 34 3.337 -5.585 -0.405 242 HA ILE 34 HA ILE 34 3.841 -4.569 -3.090 243 HB ILE 34 HB ILE 34 1.653 -3.564 -1.256 244 HG12 ILE 34 2HG1 ILE 34 1.441 -5.755 -3.361 245 HG13 ILE 34 3HG1 ILE 34 1.669 -6.091 -1.654 246 HG21 ILE 34 1HG2 ILE 34 0.635 -2.847 -3.425 247 HG22 ILE 34 2HG2 ILE 34 2.253 -2.192 -3.323 248 HG23 ILE 34 3HG2 ILE 34 1.977 -3.611 -4.313 249 HD11 ILE 34 3HD1 ILE 34 -0.649 -4.384 -2.685 250 HD12 ILE 34 1HD1 ILE 34 -0.761 -6.115 -2.423 251 HD13 ILE 34 2HD1 ILE 34 -0.436 -5.029 -1.056 252 H ILE 35 H ILE 35 3.714 -2.905 0.129 253 HA ILE 35 HA ILE 35 4.422 -0.410 -1.012 254 HB ILE 35 HB ILE 35 3.879 -1.363 1.537 255 HG12 ILE 35 2HG1 ILE 35 2.839 0.494 0.266 256 HG13 ILE 35 3HG1 ILE 35 3.236 0.960 1.898 257 HG21 ILE 35 1HG2 ILE 35 6.425 0.319 1.636 258 HG22 ILE 35 2HG2 ILE 35 5.352 0.018 3.005 259 HG23 ILE 35 3HG2 ILE 35 6.201 -1.333 2.243 260 HD11 ILE 35 3HD1 ILE 35 5.158 2.245 1.204 261 HD12 ILE 35 1HD1 ILE 35 4.979 1.665 -0.483 262 HD13 ILE 35 2HD1 ILE 35 3.755 2.676 0.235 263 H SER 36 H SER 36 6.537 -3.031 -0.141 264 HA SER 36 HA SER 36 8.972 -1.559 -0.619 265 HB2 SER 36 2HB SER 36 8.831 -3.889 0.362 266 HB3 SER 36 3HB SER 36 8.528 -4.494 -1.279 267 HG SER 36 HG SER 36 10.779 -4.501 -0.633 268 H GLU 37 H GLU 37 6.748 -3.360 -2.867 269 HA GLU 37 HA GLU 37 8.260 -2.693 -5.240 270 HB2 GLU 37 2HB GLU 37 5.263 -3.152 -5.173 271 HB3 GLU 37 3HB GLU 37 6.355 -3.310 -6.532 272 HG2 GLU 37 2HG GLU 37 6.005 -5.154 -4.172 273 HG3 GLU 37 3HG GLU 37 5.764 -5.495 -5.867 274 H ILE 38 H ILE 38 5.484 -0.991 -3.685 275 HA ILE 38 HA ILE 38 5.199 1.047 -5.625 276 HB ILE 38 HB ILE 38 4.481 0.734 -2.704 277 HG12 ILE 38 2HG1 ILE 38 2.776 0.962 -5.239 278 HG13 ILE 38 3HG1 ILE 38 3.269 -0.563 -4.524 279 HG21 ILE 38 1HG2 ILE 38 4.788 3.001 -2.785 280 HG22 ILE 38 2HG2 ILE 38 3.911 3.157 -4.345 281 HG23 ILE 38 3HG2 ILE 38 3.058 2.739 -2.863 282 HD11 ILE 38 3HD1 ILE 38 1.015 -0.158 -3.834 283 HD12 ILE 38 1HD1 ILE 38 2.031 0.115 -2.401 284 HD13 ILE 38 2HD1 ILE 38 1.360 1.488 -3.314 285 H GLN 39 H GLN 39 7.045 1.142 -2.548 286 HA GLN 39 HA GLN 39 8.044 3.818 -2.999 287 HB2 GLN 39 2HB GLN 39 8.911 1.551 -1.164 288 HB3 GLN 39 3HB GLN 39 9.757 3.101 -1.310 289 HG2 GLN 39 2HG GLN 39 7.460 4.196 -0.744 290 HG3 GLN 39 3HG GLN 39 6.989 2.609 -0.161 291 HE21 GLN 39 1HE2 GLN 39 7.466 5.182 1.328 292 HE22 GLN 39 2HE2 GLN 39 8.602 4.737 2.585 293 H ASN 40 H ASN 40 9.232 0.598 -3.879 294 HA ASN 40 HA ASN 40 11.750 1.516 -5.035 295 HB2 ASN 40 2HB ASN 40 10.019 -0.943 -5.409 296 HB3 ASN 40 3HB ASN 40 11.522 -0.710 -6.294 297 HD21 ASN 40 1HD2 ASN 40 11.523 -2.935 -4.891 298 HD22 ASN 40 2HD2 ASN 40 12.426 -2.760 -3.395 299 H GLN 41 H GLN 41 8.377 1.379 -6.365 300 HA GLN 41 HA GLN 41 9.227 1.921 -9.090 301 HB2 GLN 41 2HB GLN 41 6.583 2.163 -7.614 302 HB3 GLN 41 3HB GLN 41 6.768 2.694 -9.273 303 HG2 GLN 41 2HG GLN 41 7.735 -0.090 -8.659 304 HG3 GLN 41 3HG GLN 41 6.004 0.194 -8.572 305 HE21 GLN 41 1HE2 GLN 41 4.860 0.898 -10.551 306 HE22 GLN 41 2HE2 GLN 41 5.623 0.630 -12.113 307 H LEU 42 H LEU 42 8.188 4.005 -6.329 308 HA LEU 42 HA LEU 42 8.579 6.452 -7.752 309 HB2 LEU 42 2HB LEU 42 7.409 6.260 -5.652 310 HB3 LEU 42 3HB LEU 42 8.885 5.991 -4.759 311 HG LEU 42 HG LEU 42 8.694 8.500 -6.471 312 HD11 LEU 42 1HD1 LEU 42 7.713 9.647 -4.403 313 HD12 LEU 42 2HD1 LEU 42 7.249 8.021 -3.866 314 HD13 LEU 42 3HD1 LEU 42 6.617 8.690 -5.396 315 HD21 LEU 42 3HD2 LEU 42 9.895 7.905 -3.736 316 HD22 LEU 42 1HD2 LEU 42 9.996 9.459 -4.590 317 HD23 LEU 42 2HD2 LEU 42 10.808 8.044 -5.248 318 H GLN 43 H GLN 43 10.885 4.515 -5.816 319 HA GLN 43 HA GLN 43 13.071 6.446 -6.326 320 HB2 GLN 43 2HB GLN 43 12.973 3.692 -5.052 321 HB3 GLN 43 3HB GLN 43 14.428 4.697 -5.123 322 HG2 GLN 43 2HG GLN 43 13.366 6.487 -3.867 323 HG3 GLN 43 3HG GLN 43 11.814 5.652 -3.862 324 HE21 GLN 43 1HE2 GLN 43 11.953 3.305 -2.909 325 HE22 GLN 43 2HE2 GLN 43 12.881 3.193 -1.409 326 H ASN 44 H ASN 44 11.790 3.928 -8.208 327 HA ASN 44 HA ASN 44 12.329 2.941 -10.133 328 HB2 ASN 44 2HB ASN 44 14.630 4.869 -10.521 329 HB3 ASN 44 3HB ASN 44 13.826 3.891 -11.738 330 HD21 ASN 44 1HD2 ASN 44 11.008 4.785 -10.553 331 HD22 ASN 44 2HD2 ASN 44 10.900 6.380 -11.277 332 H LEU 45 H LEU 45 13.173 1.920 -7.736 333 HA LEU 45 HA LEU 45 15.948 0.904 -7.973 334 HB2 LEU 45 2HB LEU 45 14.910 1.853 -5.871 335 HB3 LEU 45 3HB LEU 45 13.898 0.419 -5.775 336 HG LEU 45 HG LEU 45 16.954 0.407 -5.779 337 HD11 LEU 45 1HD1 LEU 45 15.012 0.182 -3.443 338 HD12 LEU 45 2HD1 LEU 45 16.043 1.583 -3.809 339 HD13 LEU 45 3HD1 LEU 45 16.782 0.041 -3.355 340 HD21 LEU 45 3HD2 LEU 45 16.133 -1.794 -6.429 341 HD22 LEU 45 1HD2 LEU 45 14.932 -1.778 -5.114 342 HD23 LEU 45 2HD2 LEU 45 16.670 -1.872 -4.756 343 H LYS 46 H LYS 46 16.288 -0.846 -9.173 344 HA LYS 46 HA LYS 46 14.478 -3.141 -9.328 345 HB2 LYS 46 2HB LYS 46 14.961 -1.403 -11.797 346 HB3 LYS 46 3HB LYS 46 14.294 -3.041 -11.817 347 HG2 LYS 46 2HG LYS 46 12.432 -2.249 -10.313 348 HG3 LYS 46 3HG LYS 46 13.040 -0.594 -10.511 349 HD2 LYS 46 2HD LYS 46 12.636 -0.712 -12.939 350 HD3 LYS 46 3HD LYS 46 12.029 -2.381 -12.756 351 HE2 LYS 46 2HE LYS 46 10.309 -1.568 -11.149 352 HE3 LYS 46 3HE LYS 46 10.902 0.082 -11.337 353 HZ1 LYS 46 3HZ LYS 46 9.683 -1.545 -13.500 354 HZ2 LYS 46 1HZ LYS 46 10.230 -0.010 -13.675 355 HZ3 LYS 46 2HZ LYS 46 8.963 -0.322 -12.680 356 H1 MET 1 1H MET 1 -15.402 -23.092 -4.816 357 H2 MET 1 2H MET 1 -14.653 -24.105 -3.766 358 H3 MET 1 3H MET 1 -13.773 -23.255 -4.851 359 HA MET 1 HA MET 1 -14.342 -21.180 -3.820 360 HB2 MET 1 2HB MET 1 -16.580 -21.929 -3.009 361 HB3 MET 1 3HB MET 1 -15.793 -22.891 -1.752 362 HG2 MET 1 2HG MET 1 -14.837 -20.835 -0.771 363 HG3 MET 1 3HG MET 1 -15.543 -19.871 -2.076 364 HE1 MET 1 3HE MET 1 -15.849 -19.211 1.023 365 HE2 MET 1 1HE MET 1 -16.560 -18.227 -0.278 366 HE3 MET 1 2HE MET 1 -17.565 -18.754 1.090 367 H ASN 2 H ASN 2 -12.779 -20.309 -2.489 368 HA ASN 2 HA ASN 2 -11.102 -22.107 -0.809 369 HB2 ASN 2 2HB ASN 2 -10.079 -20.222 -2.984 370 HB3 ASN 2 3HB ASN 2 -9.067 -21.060 -1.818 371 HD21 ASN 2 1HD2 ASN 2 -8.624 -23.309 -2.121 372 HD22 ASN 2 2HD2 ASN 2 -9.101 -24.124 -3.603 373 H CYS 3 H CYS 3 -9.797 -20.968 0.749 374 HA CYS 3 HA CYS 3 -11.139 -18.712 1.962 375 HB2 CYS 3 2HB CYS 3 -8.495 -20.084 2.620 376 HB3 CYS 3 3HB CYS 3 -9.323 -18.904 3.650 377 HG CYS 3 HG CYS 3 -9.687 -21.315 4.627 378 H MET 4 H MET 4 -10.287 -16.638 2.442 379 HA MET 4 HA MET 4 -8.760 -15.378 0.295 380 HB2 MET 4 2HB MET 4 -10.239 -14.456 2.748 381 HB3 MET 4 3HB MET 4 -8.989 -13.413 2.089 382 HG2 MET 4 2HG MET 4 -10.031 -13.509 -0.144 383 HG3 MET 4 3HG MET 4 -11.287 -14.583 0.483 384 HE1 MET 4 3HE MET 4 -13.091 -12.978 -0.608 385 HE2 MET 4 1HE MET 4 -13.203 -11.237 -0.275 386 HE3 MET 4 2HE MET 4 -11.808 -11.880 -1.170 387 H THR 5 H THR 5 -6.739 -15.995 0.173 388 HA THR 5 HA THR 5 -4.910 -15.639 2.516 389 HB THR 5 HB THR 5 -5.280 -18.011 1.867 390 HG1 THR 5 HG1 THR 5 -3.099 -18.454 1.945 391 HG21 THR 5 3HG2 THR 5 -4.209 -18.905 -0.147 392 HG22 THR 5 1HG2 THR 5 -3.741 -17.278 -0.683 393 HG23 THR 5 2HG2 THR 5 -5.455 -17.741 -0.622 394 H CYS 6 H CYS 6 -2.817 -14.875 2.125 395 HA CYS 6 HA CYS 6 -2.514 -12.893 0.126 396 HB2 CYS 6 2HB CYS 6 -1.360 -12.950 2.354 397 HB3 CYS 6 3HB CYS 6 -0.409 -14.304 1.784 398 HG CYS 6 HG CYS 6 1.136 -12.304 1.636 399 H GLN 7 H GLN 7 -2.102 -13.020 -2.017 400 HA GLN 7 HA GLN 7 -1.096 -15.494 -3.172 401 HB2 GLN 7 2HB GLN 7 -2.742 -14.102 -4.272 402 HB3 GLN 7 3HB GLN 7 -1.603 -12.752 -4.364 403 HG2 GLN 7 2HG GLN 7 -1.792 -13.841 -6.536 404 HG3 GLN 7 3HG GLN 7 -0.171 -14.046 -5.923 405 HE21 GLN 7 1HE2 GLN 7 0.463 -16.222 -5.152 406 HE22 GLN 7 2HE2 GLN 7 -0.453 -17.627 -5.711 407 H VAL 8 H VAL 8 0.519 -12.737 -1.843 408 HA VAL 8 HA VAL 8 3.029 -13.187 -3.363 409 HB VAL 8 HB VAL 8 2.230 -11.051 -1.361 410 HG11 VAL 8 1HG1 VAL 8 4.729 -11.249 -3.091 411 HG12 VAL 8 2HG1 VAL 8 4.199 -9.793 -2.218 412 HG13 VAL 8 3HG1 VAL 8 4.659 -11.230 -1.311 413 HG21 VAL 8 3HG2 VAL 8 0.986 -10.850 -3.475 414 HG22 VAL 8 1HG2 VAL 8 2.218 -9.589 -3.403 415 HG23 VAL 8 2HG2 VAL 8 2.491 -11.025 -4.404 416 H THR 9 H THR 9 1.724 -13.910 -0.233 417 HA THR 9 HA THR 9 4.381 -14.985 0.689 418 HB THR 9 HB THR 9 3.973 -14.315 2.934 419 HG1 THR 9 HG1 THR 9 2.105 -13.087 3.429 420 HG21 THR 9 3HG2 THR 9 4.893 -12.525 1.419 421 HG22 THR 9 1HG2 THR 9 4.007 -11.898 2.817 422 HG23 THR 9 2HG2 THR 9 3.240 -11.899 1.220 423 H GLY 10 H GLY 10 0.881 -15.321 0.825 424 HA2 GLY 10 2HA GLY 10 -0.233 -17.495 0.696 425 HA3 GLY 10 3HA GLY 10 1.186 -18.261 1.388 426 H GLU 11 H GLU 11 0.583 -15.431 3.166 427 HA GLU 11 HA GLU 11 -0.627 -16.923 5.370 428 HB2 GLU 11 2HB GLU 11 0.455 -14.143 4.965 429 HB3 GLU 11 3HB GLU 11 -0.448 -14.540 6.435 430 HG2 GLU 11 2HG GLU 11 1.950 -16.107 5.435 431 HG3 GLU 11 3HG GLU 11 2.063 -14.766 6.581 432 H VAL 12 H VAL 12 -2.455 -16.595 6.384 433 HA VAL 12 HA VAL 12 -4.695 -15.240 4.928 434 HB VAL 12 HB VAL 12 -5.020 -17.436 4.328 435 HG11 VAL 12 1HG1 VAL 12 -4.513 -18.361 7.182 436 HG12 VAL 12 2HG1 VAL 12 -5.077 -19.385 5.846 437 HG13 VAL 12 3HG1 VAL 12 -3.476 -18.653 5.765 438 HG21 VAL 12 3HG2 VAL 12 -6.756 -17.270 6.817 439 HG22 VAL 12 1HG2 VAL 12 -7.069 -16.344 5.340 440 HG23 VAL 12 2HG2 VAL 12 -7.094 -18.112 5.294 441 H SER 13 H SER 13 -5.752 -13.803 6.036 442 HA SER 13 HA SER 13 -6.253 -14.243 8.958 443 HB2 SER 13 2HB SER 13 -5.623 -11.578 7.631 444 HB3 SER 13 3HB SER 13 -6.040 -11.829 9.333 445 HG SER 13 HG SER 13 -4.134 -13.151 9.500 446 H ASP 14 H ASP 14 -8.254 -13.426 9.773 447 HA ASP 14 HA ASP 14 -10.451 -13.260 7.891 448 HB2 ASP 14 2HB ASP 14 -10.463 -12.402 10.796 449 HB3 ASP 14 3HB ASP 14 -11.847 -12.850 9.805 450 H ASP 15 H ASP 15 -8.431 -10.877 9.481 451 HA ASP 15 HA ASP 15 -9.866 -8.576 8.387 452 HB2 ASP 15 2HB ASP 15 -7.423 -8.672 10.169 453 HB3 ASP 15 3HB ASP 15 -8.468 -7.296 9.849 454 H ASN 16 H ASN 16 -8.599 -10.357 6.489 455 HA ASN 16 HA ASN 16 -5.991 -9.646 5.768 456 HB2 ASN 16 2HB ASN 16 -6.463 -10.747 3.612 457 HB3 ASN 16 3HB ASN 16 -6.924 -11.697 4.996 458 HD21 ASN 16 1HD2 ASN 16 -9.050 -12.391 5.162 459 HD22 ASN 16 2HD2 ASN 16 -10.313 -11.895 4.027 460 H LEU 17 H LEU 17 -5.039 -8.565 4.167 461 HA LEU 17 HA LEU 17 -6.118 -5.934 3.551 462 HB2 LEU 17 2HB LEU 17 -3.283 -7.067 3.355 463 HB3 LEU 17 3HB LEU 17 -3.733 -5.367 3.304 464 HG LEU 17 HG LEU 17 -4.112 -7.243 5.677 465 HD11 LEU 17 1HD1 LEU 17 -1.732 -6.468 5.125 466 HD12 LEU 17 2HD1 LEU 17 -2.348 -6.289 6.776 467 HD13 LEU 17 3HD1 LEU 17 -2.268 -4.899 5.720 468 HD21 LEU 17 3HD2 LEU 17 -4.873 -4.362 5.205 469 HD22 LEU 17 1HD2 LEU 17 -4.499 -4.940 6.819 470 HD23 LEU 17 2HD2 LEU 17 -5.833 -5.672 5.919 471 H LYS 18 H LYS 18 -5.437 -4.891 1.443 472 HA LYS 18 HA LYS 18 -5.634 -6.819 -0.811 473 HB2 LYS 18 2HB LYS 18 -7.643 -4.571 -0.451 474 HB3 LYS 18 3HB LYS 18 -7.541 -5.749 -1.776 475 HG2 LYS 18 2HG LYS 18 -7.975 -7.594 -0.184 476 HG3 LYS 18 3HG LYS 18 -8.218 -6.400 1.107 477 HD2 LYS 18 2HD LYS 18 -10.085 -5.396 -0.174 478 HD3 LYS 18 3HD LYS 18 -9.862 -6.619 -1.449 479 HE2 LYS 18 2HE LYS 18 -10.282 -8.423 0.209 480 HE3 LYS 18 3HE LYS 18 -10.477 -7.217 1.484 481 HZ1 LYS 18 3HZ LYS 18 -12.232 -7.459 -0.906 482 HZ2 LYS 18 1HZ LYS 18 -12.408 -6.344 0.276 483 HZ3 LYS 18 2HZ LYS 18 -12.626 -7.924 0.609 484 H LEU 19 H LEU 19 -5.118 -6.146 -2.829 485 HA LEU 19 HA LEU 19 -2.843 -4.477 -2.842 486 HB2 LEU 19 2HB LEU 19 -3.318 -6.638 -4.064 487 HB3 LEU 19 3HB LEU 19 -4.246 -5.740 -5.230 488 HG LEU 19 HG LEU 19 -1.435 -4.753 -4.790 489 HD11 LEU 19 1HD1 LEU 19 -2.009 -7.433 -6.112 490 HD12 LEU 19 2HD1 LEU 19 -1.045 -7.151 -4.645 491 HD13 LEU 19 3HD1 LEU 19 -0.472 -6.538 -6.200 492 HD21 LEU 19 3HD2 LEU 19 -2.903 -5.519 -7.351 493 HD22 LEU 19 1HD2 LEU 19 -1.448 -4.519 -7.194 494 HD23 LEU 19 2HD2 LEU 19 -3.008 -3.908 -6.623 495 H ALA 20 H ALA 20 -2.332 -2.904 -4.710 496 HA ALA 20 HA ALA 20 -3.893 -0.599 -3.859 497 HB1 ALA 20 3HB ALA 20 -1.456 -0.495 -3.826 498 HB2 ALA 20 1HB ALA 20 -1.398 -0.764 -5.585 499 HB3 ALA 20 2HB ALA 20 -2.117 0.725 -4.932 500 H GLY 21 H GLY 21 -5.268 0.710 -5.087 501 HA2 GLY 21 2HA GLY 21 -6.093 -0.315 -7.757 502 HA3 GLY 21 3HA GLY 21 -7.048 0.651 -6.643 503 H GLY 22 H GLY 22 -5.591 2.753 -6.015 504 HA2 GLY 22 2HA GLY 22 -4.019 4.351 -6.812 505 HA3 GLY 22 3HA GLY 22 -4.533 4.093 -8.476 506 H LYS 23 H LYS 23 -6.102 4.942 -5.332 507 HA LYS 23 HA LYS 23 -8.211 6.381 -6.777 508 HB2 LYS 23 2HB LYS 23 -7.898 6.052 -3.773 509 HB3 LYS 23 3HB LYS 23 -9.339 6.565 -4.657 510 HG2 LYS 23 2HG LYS 23 -9.173 4.268 -5.878 511 HG3 LYS 23 3HG LYS 23 -8.068 3.811 -4.576 512 HD2 LYS 23 2HD LYS 23 -10.983 4.663 -4.333 513 HD3 LYS 23 3HD LYS 23 -10.313 3.050 -4.060 514 HE2 LYS 23 2HE LYS 23 -9.002 3.958 -2.123 515 HE3 LYS 23 3HE LYS 23 -9.754 5.537 -2.378 516 HZ1 LYS 23 3HZ LYS 23 -10.926 4.271 -0.677 517 HZ2 LYS 23 1HZ LYS 23 -11.216 3.040 -1.705 518 HZ3 LYS 23 2HZ LYS 23 -11.920 4.494 -1.951 519 H LEU 24 H LEU 24 -5.489 7.423 -4.860 520 HA LEU 24 HA LEU 24 -5.897 10.235 -5.611 521 HB2 LEU 24 2HB LEU 24 -7.096 9.791 -3.367 522 HB3 LEU 24 3HB LEU 24 -5.501 9.427 -2.692 523 HG LEU 24 HG LEU 24 -4.751 11.735 -3.150 524 HD11 LEU 24 1HD1 LEU 24 -6.441 13.467 -3.744 525 HD12 LEU 24 2HD1 LEU 24 -7.618 12.185 -4.098 526 HD13 LEU 24 3HD1 LEU 24 -6.150 12.360 -5.086 527 HD21 LEU 24 3HD2 LEU 24 -5.771 11.139 -1.000 528 HD22 LEU 24 1HD2 LEU 24 -7.383 11.538 -1.639 529 HD23 LEU 24 2HD2 LEU 24 -6.153 12.804 -1.460 530 H VAL 25 H VAL 25 -3.865 11.503 -5.198 531 HA VAL 25 HA VAL 25 -1.510 9.763 -5.570 532 HB VAL 25 HB VAL 25 -1.955 12.735 -5.999 533 HG11 VAL 25 1HG1 VAL 25 0.404 12.726 -6.942 534 HG12 VAL 25 2HG1 VAL 25 0.308 12.669 -5.187 535 HG13 VAL 25 3HG1 VAL 25 0.661 11.186 -6.098 536 HG21 VAL 25 3HG2 VAL 25 -1.176 10.413 -7.828 537 HG22 VAL 25 1HG2 VAL 25 -2.776 11.197 -7.753 538 HG23 VAL 25 2HG2 VAL 25 -1.369 12.099 -8.335 539 H LEU 26 H LEU 26 0.045 9.483 -4.384 540 HA LEU 26 HA LEU 26 0.667 11.075 -1.943 541 HB2 LEU 26 2HB LEU 26 0.368 8.058 -2.080 542 HB3 LEU 26 3HB LEU 26 1.305 8.888 -0.849 543 HG LEU 26 HG LEU 26 -0.833 10.307 -0.417 544 HD11 LEU 26 1HD1 LEU 26 -2.957 9.020 -0.731 545 HD12 LEU 26 2HD1 LEU 26 -2.056 7.737 -1.588 546 HD13 LEU 26 3HD1 LEU 26 -2.276 9.325 -2.302 547 HD21 LEU 26 3HD2 LEU 26 -1.771 8.391 1.054 548 HD22 LEU 26 1HD2 LEU 26 -0.168 9.014 1.340 549 HD23 LEU 26 2HD2 LEU 26 -0.370 7.486 0.445 550 H SER 27 H SER 27 2.970 10.934 -1.209 551 HA SER 27 HA SER 27 4.854 10.231 -3.410 552 HB2 SER 27 2HB SER 27 4.919 12.517 -2.420 553 HB3 SER 27 3HB SER 27 5.224 11.795 -0.842 554 HG SER 27 HG SER 27 6.911 11.933 -3.119 555 H LYS 28 H LYS 28 7.008 9.598 -2.006 556 HA LYS 28 HA LYS 28 6.852 6.847 -1.391 557 HB2 LYS 28 2HB LYS 28 8.855 8.622 -1.779 558 HB3 LYS 28 3HB LYS 28 8.896 8.604 -0.022 559 HG2 LYS 28 2HG LYS 28 8.943 6.002 -0.306 560 HG3 LYS 28 3HG LYS 28 9.375 6.323 -1.975 561 HD2 LYS 28 2HD LYS 28 10.883 7.213 0.529 562 HD3 LYS 28 3HD LYS 28 11.343 5.897 -0.554 563 HE2 LYS 28 2HE LYS 28 11.601 7.555 -2.419 564 HE3 LYS 28 3HE LYS 28 11.209 8.859 -1.291 565 HZ1 LYS 28 3HZ LYS 28 13.173 8.217 0.024 566 HZ2 LYS 28 1HZ LYS 28 13.613 8.597 -1.499 567 HZ3 LYS 28 2HZ LYS 28 13.549 7.027 -1.039 568 H GLU 29 H GLU 29 6.695 9.625 0.760 569 HA GLU 29 HA GLU 29 6.644 8.007 3.178 570 HB2 GLU 29 2HB GLU 29 6.269 10.974 2.753 571 HB3 GLU 29 3HB GLU 29 6.282 10.179 4.335 572 HG2 GLU 29 2HG GLU 29 8.570 9.278 3.828 573 HG3 GLU 29 3HG GLU 29 8.578 10.206 2.328 574 H GLY 30 H GLY 30 4.189 9.720 1.163 575 HA2 GLY 30 2HA GLY 30 1.968 9.257 2.919 576 HA3 GLY 30 3HA GLY 30 1.960 9.558 1.172 577 H ALA 31 H ALA 31 3.385 7.300 0.193 578 HA ALA 31 HA ALA 31 1.350 5.315 0.262 579 HB1 ALA 31 3HB ALA 31 2.866 4.005 -1.155 580 HB2 ALA 31 1HB ALA 31 2.916 5.698 -1.650 581 HB3 ALA 31 2HB ALA 31 4.240 5.006 -0.680 582 H GLU 32 H GLU 32 4.574 5.504 1.885 583 HA GLU 32 HA GLU 32 4.114 2.990 3.239 584 HB2 GLU 32 2HB GLU 32 5.900 3.331 4.659 585 HB3 GLU 32 3HB GLU 32 6.299 3.886 3.032 586 HG2 GLU 32 2HG GLU 32 6.091 6.163 3.686 587 HG3 GLU 32 3HG GLU 32 5.432 5.758 5.274 588 H GLN 33 H GLN 33 2.955 6.295 3.989 589 HA GLN 33 HA GLN 33 2.164 5.641 6.696 590 HB2 GLN 33 2HB GLN 33 2.516 7.982 5.777 591 HB3 GLN 33 3HB GLN 33 0.992 7.794 4.906 592 HG2 GLN 33 2HG GLN 33 0.580 9.013 6.945 593 HG3 GLN 33 3HG GLN 33 -0.167 7.429 7.116 594 HE21 GLN 33 1HE2 GLN 33 2.750 9.364 8.023 595 HE22 GLN 33 2HE2 GLN 33 3.072 8.432 9.477 596 H ILE 34 H ILE 34 0.643 5.323 3.479 597 HA ILE 34 HA ILE 34 -1.873 4.259 4.471 598 HB ILE 34 HB ILE 34 -0.516 3.539 1.860 599 HG12 ILE 34 2HG1 ILE 34 -2.756 5.535 2.408 600 HG13 ILE 34 3HG1 ILE 34 -1.070 6.013 2.246 601 HG21 ILE 34 1HG2 ILE 34 -2.157 1.876 2.587 602 HG22 ILE 34 2HG2 ILE 34 -3.319 3.121 3.027 603 HG23 ILE 34 3HG2 ILE 34 -2.912 2.811 1.317 604 HD11 ILE 34 3HD1 ILE 34 -2.594 4.495 0.076 605 HD12 ILE 34 1HD1 ILE 34 -2.379 6.237 0.114 606 HD13 ILE 34 2HD1 ILE 34 -0.965 5.172 -0.045 607 H ILE 35 H ILE 35 1.311 2.643 3.736 608 HA ILE 35 HA ILE 35 0.375 0.102 4.503 609 HB ILE 35 HB ILE 35 2.963 1.148 3.970 610 HG12 ILE 35 2HG1 ILE 35 1.889 -0.723 2.837 611 HG13 ILE 35 3HG1 ILE 35 3.443 -1.221 3.537 612 HG21 ILE 35 1HG2 ILE 35 4.454 -0.158 5.385 613 HG22 ILE 35 2HG2 ILE 35 3.613 1.068 6.325 614 HG23 ILE 35 3HG2 ILE 35 3.109 -0.634 6.432 615 HD11 ILE 35 3HD1 ILE 35 2.494 -2.587 5.123 616 HD12 ILE 35 1HD1 ILE 35 0.855 -1.886 4.940 617 HD13 ILE 35 2HD1 ILE 35 1.535 -2.863 3.669 618 H SER 36 H SER 36 1.436 2.701 6.598 619 HA SER 36 HA SER 36 1.277 1.192 9.061 620 HB2 SER 36 2HB SER 36 2.304 3.503 8.768 621 HB3 SER 36 3HB SER 36 0.653 4.154 8.752 622 HG SER 36 HG SER 36 1.563 4.174 10.851 623 H GLU 37 H GLU 37 -1.199 3.118 7.247 624 HA GLU 37 HA GLU 37 -3.354 2.507 9.080 625 HB2 GLU 37 2HB GLU 37 -3.381 3.242 6.127 626 HB3 GLU 37 3HB GLU 37 -4.826 3.082 7.114 627 HG2 GLU 37 2HG GLU 37 -2.571 5.048 7.713 628 HG3 GLU 37 3HG GLU 37 -4.016 5.434 6.793 629 H ILE 38 H ILE 38 -2.336 0.853 6.060 630 HA ILE 38 HA ILE 38 -4.372 -1.111 6.038 631 HB ILE 38 HB ILE 38 -1.651 -0.785 4.758 632 HG12 ILE 38 2HG1 ILE 38 -4.548 -0.909 3.754 633 HG13 ILE 38 3HG1 ILE 38 -3.586 0.548 3.949 634 HG21 ILE 38 1HG2 ILE 38 -2.034 -2.720 3.322 635 HG22 ILE 38 2HG2 ILE 38 -1.616 -3.077 4.978 636 HG23 ILE 38 3HG2 ILE 38 -3.318 -3.237 4.406 637 HD11 ILE 38 3HD1 ILE 38 -3.613 0.077 1.621 638 HD12 ILE 38 1HD1 ILE 38 -1.996 -0.430 2.167 639 HD13 ILE 38 2HD1 ILE 38 -3.265 -1.637 1.857 640 H GLN 39 H GLN 39 -1.011 -1.464 7.236 641 HA GLN 39 HA GLN 39 -1.419 -4.115 8.288 642 HB2 GLN 39 2HB GLN 39 0.628 -1.945 8.915 643 HB3 GLN 39 3HB GLN 39 0.543 -3.495 9.739 644 HG2 GLN 39 2HG GLN 39 0.657 -4.541 7.317 645 HG3 GLN 39 3HG GLN 39 1.262 -2.976 6.839 646 HE21 GLN 39 1HE2 GLN 39 2.642 -5.587 6.827 647 HE22 GLN 39 2HE2 GLN 39 4.096 -5.328 7.755 648 H ASN 40 H ASN 40 -1.965 -0.873 9.659 649 HA ASN 40 HA ASN 40 -2.731 -1.862 12.290 650 HB2 ASN 40 2HB ASN 40 -2.069 0.451 11.972 651 HB3 ASN 40 3HB ASN 40 -3.412 0.724 10.860 652 HD21 ASN 40 1HD2 ASN 40 -5.355 1.399 11.746 653 HD22 ASN 40 2HD2 ASN 40 -5.772 1.240 13.450 654 H GLN 41 H GLN 41 -4.597 -1.610 9.200 655 HA GLN 41 HA GLN 41 -7.108 -2.126 10.605 656 HB2 GLN 41 2HB GLN 41 -6.427 -2.209 7.647 657 HB3 GLN 41 3HB GLN 41 -7.999 -2.629 8.330 658 HG2 GLN 41 2HG GLN 41 -7.731 -0.241 9.540 659 HG3 GLN 41 3HG GLN 41 -6.701 0.073 8.150 660 HE21 GLN 41 1HE2 GLN 41 -10.011 -0.426 9.244 661 HE22 GLN 41 2HE2 GLN 41 -10.749 -0.104 7.675 662 H LEU 42 H LEU 42 -4.626 -4.212 9.041 663 HA LEU 42 HA LEU 42 -6.132 -6.596 9.715 664 HB2 LEU 42 2HB LEU 42 -4.279 -6.518 8.149 665 HB3 LEU 42 3HB LEU 42 -3.115 -6.403 9.444 666 HG LEU 42 HG LEU 42 -5.120 -8.701 9.484 667 HD11 LEU 42 1HD1 LEU 42 -2.713 -8.494 7.663 668 HD12 LEU 42 2HD1 LEU 42 -4.407 -8.800 7.212 669 HD13 LEU 42 3HD1 LEU 42 -3.497 -10.035 8.084 670 HD21 LEU 42 3HD2 LEU 42 -3.201 -9.937 10.415 671 HD22 LEU 42 1HD2 LEU 42 -3.469 -8.466 11.349 672 HD23 LEU 42 2HD2 LEU 42 -2.150 -8.529 10.168 673 H GLN 43 H GLN 43 -3.746 -4.748 11.601 674 HA GLN 43 HA GLN 43 -3.670 -6.585 13.793 675 HB2 GLN 43 2HB GLN 43 -1.907 -4.977 13.097 676 HB3 GLN 43 3HB GLN 43 -2.898 -3.643 13.700 677 HG2 GLN 43 2HG GLN 43 -2.728 -4.516 15.992 678 HG3 GLN 43 3HG GLN 43 -1.880 -5.957 15.410 679 HE21 GLN 43 1HE2 GLN 43 -1.501 -2.549 16.265 680 HE22 GLN 43 2HE2 GLN 43 0.229 -2.508 15.952 681 H ASN 44 H ASN 44 -5.593 -3.625 13.345 682 HA ASN 44 HA ASN 44 -7.037 -4.087 15.928 683 HB2 ASN 44 2HB ASN 44 -5.027 -2.485 15.974 684 HB3 ASN 44 3HB ASN 44 -5.931 -1.440 14.884 685 HD21 ASN 44 1HD2 ASN 44 -7.077 0.178 15.933 686 HD22 ASN 44 2HD2 ASN 44 -7.569 0.061 17.624 687 H LEU 45 H LEU 45 -7.504 -3.662 12.644 688 HA LEU 45 HA LEU 45 -9.086 -3.023 11.234 689 HB2 LEU 45 2HB LEU 45 -10.387 -4.576 12.641 690 HB3 LEU 45 3HB LEU 45 -10.993 -3.204 13.566 691 HG LEU 45 HG LEU 45 -12.126 -2.318 11.552 692 HD11 LEU 45 1HD1 LEU 45 -12.343 -3.780 9.537 693 HD12 LEU 45 2HD1 LEU 45 -11.081 -4.847 10.196 694 HD13 LEU 45 3HD1 LEU 45 -10.702 -3.170 9.739 695 HD21 LEU 45 3HD2 LEU 45 -13.299 -3.866 13.068 696 HD22 LEU 45 1HD2 LEU 45 -12.735 -5.248 12.103 697 HD23 LEU 45 2HD2 LEU 45 -13.848 -4.053 11.397 698 H LYS 46 H LYS 46 -8.774 -0.900 13.956 699 HA LYS 46 HA LYS 46 -9.683 1.447 12.360 700 HB2 LYS 46 2HB LYS 46 -10.985 2.244 14.206 701 HB3 LYS 46 3HB LYS 46 -11.470 0.587 13.874 702 HG2 LYS 46 2HG LYS 46 -9.699 -0.007 15.780 703 HG3 LYS 46 3HG LYS 46 -9.848 1.696 16.185 704 HD2 LYS 46 2HD LYS 46 -11.374 0.550 17.603 705 HD3 LYS 46 3HD LYS 46 -12.356 1.342 16.374 706 HE2 LYS 46 2HE LYS 46 -13.235 -0.867 16.707 707 HE3 LYS 46 3HE LYS 46 -12.480 -0.837 15.115 708 HZ1 LYS 46 3HZ LYS 46 -10.549 -1.989 16.072 709 HZ2 LYS 46 1HZ LYS 46 -11.903 -2.839 16.405 710 HZ3 LYS 46 2HZ LYS 46 -11.209 -1.940 17.572 Start of MODEL 4 1 H1 MET 1 1H MET 1 -1.900 26.402 -7.965 2 H2 MET 1 2H MET 1 -2.646 26.562 -9.414 3 H3 MET 1 3H MET 1 -1.123 25.955 -9.332 4 HA MET 1 HA MET 1 -3.518 24.663 -8.198 5 HB2 MET 1 2HB MET 1 -1.956 23.967 -10.730 6 HB3 MET 1 3HB MET 1 -3.095 22.887 -9.935 7 HG2 MET 1 2HG MET 1 -4.298 23.878 -11.687 8 HG3 MET 1 3HG MET 1 -4.896 24.586 -10.198 9 HE1 MET 1 3HE MET 1 -3.190 25.110 -13.636 10 HE2 MET 1 1HE MET 1 -2.498 26.742 -13.532 11 HE3 MET 1 2HE MET 1 -1.765 25.412 -12.614 12 H ASN 2 H ASN 2 -3.168 22.571 -7.264 13 HA ASN 2 HA ASN 2 -0.652 22.440 -5.789 14 HB2 ASN 2 2HB ASN 2 -3.121 20.646 -5.747 15 HB3 ASN 2 3HB ASN 2 -1.809 20.619 -4.573 16 HD21 ASN 2 1HD2 ASN 2 -1.379 22.805 -3.418 17 HD22 ASN 2 2HD2 ASN 2 -2.819 23.725 -3.017 18 H CYS 3 H CYS 3 -1.735 20.921 -8.693 19 HA CYS 3 HA CYS 3 -1.002 19.231 -10.006 20 HB2 CYS 3 2HB CYS 3 1.109 20.673 -9.654 21 HB3 CYS 3 3HB CYS 3 1.679 19.371 -8.598 22 HG CYS 3 HG CYS 3 2.796 19.209 -10.996 23 H MET 4 H MET 4 0.635 17.013 -9.663 24 HA MET 4 HA MET 4 -0.955 15.304 -7.857 25 HB2 MET 4 2HB MET 4 1.175 14.777 -9.937 26 HB3 MET 4 3HB MET 4 0.705 13.559 -8.741 27 HG2 MET 4 2HG MET 4 -1.675 13.822 -9.383 28 HG3 MET 4 3HG MET 4 -1.209 14.970 -10.639 29 HE1 MET 4 3HE MET 4 1.359 13.727 -12.020 30 HE2 MET 4 1HE MET 4 0.595 12.744 -13.285 31 HE3 MET 4 2HE MET 4 -0.057 14.349 -12.898 32 H THR 5 H THR 5 -0.528 16.103 -5.931 33 HA THR 5 HA THR 5 2.171 15.646 -4.717 34 HB THR 5 HB THR 5 1.630 18.036 -4.882 35 HG1 THR 5 HG1 THR 5 2.134 18.445 -2.769 36 HG21 THR 5 3HG2 THR 5 -0.109 19.020 -3.426 37 HG22 THR 5 1HG2 THR 5 -0.676 17.403 -2.947 38 HG23 THR 5 2HG2 THR 5 -0.859 17.958 -4.625 39 H CYS 6 H CYS 6 2.266 14.874 -2.625 40 HA CYS 6 HA CYS 6 0.383 12.907 -1.927 41 HB2 CYS 6 2HB CYS 6 2.811 12.840 -1.334 42 HB3 CYS 6 3HB CYS 6 2.537 14.176 -0.229 43 HG CYS 6 HG CYS 6 2.665 12.195 1.295 44 H GLN 7 H GLN 7 -1.628 13.062 -1.041 45 HA GLN 7 HA GLN 7 -2.420 15.485 0.342 46 HB2 GLN 7 2HB GLN 7 -3.897 14.255 -1.097 47 HB3 GLN 7 3HB GLN 7 -3.803 12.823 -0.062 48 HG2 GLN 7 2HG GLN 7 -5.919 13.963 0.300 49 HG3 GLN 7 3HG GLN 7 -4.966 14.055 1.760 50 HE21 GLN 7 1HE2 GLN 7 -3.998 16.173 2.328 51 HE22 GLN 7 2HE2 GLN 7 -4.697 17.642 1.636 52 H VAL 8 H VAL 8 -0.844 12.640 1.511 53 HA VAL 8 HA VAL 8 -1.694 13.057 4.327 54 HB VAL 8 HB VAL 8 0.070 10.956 3.031 55 HG11 VAL 8 1HG1 VAL 8 -0.178 9.686 5.154 56 HG12 VAL 8 2HG1 VAL 8 0.783 11.146 5.359 57 HG13 VAL 8 3HG1 VAL 8 -0.908 11.119 5.910 58 HG21 VAL 8 3HG2 VAL 8 -1.858 9.457 3.551 59 HG22 VAL 8 1HG2 VAL 8 -2.773 10.856 4.144 60 HG23 VAL 8 2HG2 VAL 8 -2.318 10.744 2.431 61 H THR 9 H THR 9 0.996 13.864 2.290 62 HA THR 9 HA THR 9 2.583 14.842 4.649 63 HB THR 9 HB THR 9 4.613 14.012 3.800 64 HG1 THR 9 HG1 THR 9 4.808 13.016 1.848 65 HG21 THR 9 3HG2 THR 9 3.114 12.305 4.907 66 HG22 THR 9 1HG2 THR 9 4.326 11.619 3.811 67 HG23 THR 9 2HG2 THR 9 2.641 11.736 3.290 68 H GLY 10 H GLY 10 1.876 15.243 1.240 69 HA2 GLY 10 2HA GLY 10 1.689 17.385 0.146 70 HA3 GLY 10 3HA GLY 10 2.707 18.120 1.378 71 H GLU 11 H GLU 11 4.176 15.212 0.417 72 HA GLU 11 HA GLU 11 6.134 16.547 -1.275 73 HB2 GLU 11 2HB GLU 11 5.723 13.741 -0.229 74 HB3 GLU 11 3HB GLU 11 6.960 14.078 -1.452 75 HG2 GLU 11 2HG GLU 11 6.750 15.552 1.186 76 HG3 GLU 11 3HG GLU 11 7.762 14.125 0.927 77 H VAL 12 H VAL 12 6.623 16.219 -3.325 78 HA VAL 12 HA VAL 12 4.516 15.124 -5.151 79 HB VAL 12 HB VAL 12 3.997 17.360 -5.181 80 HG11 VAL 12 1HG1 VAL 12 6.933 18.111 -5.451 81 HG12 VAL 12 2HG1 VAL 12 5.562 19.233 -5.568 82 HG13 VAL 12 3HG1 VAL 12 5.879 18.404 -4.047 83 HG21 VAL 12 3HG2 VAL 12 4.329 16.352 -7.479 84 HG22 VAL 12 1HG2 VAL 12 4.392 18.120 -7.409 85 HG23 VAL 12 2HG2 VAL 12 5.891 17.183 -7.550 86 H SER 13 H SER 13 5.247 13.572 -6.393 87 HA SER 13 HA SER 13 7.878 13.931 -7.778 88 HB2 SER 13 2HB SER 13 8.037 11.512 -7.843 89 HB3 SER 13 3HB SER 13 7.881 12.087 -6.169 90 HG SER 13 HG SER 13 6.450 10.369 -6.541 91 H ASP 14 H ASP 14 8.049 13.140 -9.946 92 HA ASP 14 HA ASP 14 5.637 13.293 -11.593 93 HB2 ASP 14 2HB ASP 14 7.197 12.814 -13.450 94 HB3 ASP 14 3HB ASP 14 7.635 14.218 -12.493 95 H ASP 15 H ASP 15 7.261 10.741 -9.871 96 HA ASP 15 HA ASP 15 6.139 8.556 -11.427 97 HB2 ASP 15 2HB ASP 15 7.337 8.431 -8.653 98 HB3 ASP 15 3HB ASP 15 7.245 7.162 -9.866 99 H ASN 16 H ASN 16 5.155 10.489 -8.743 100 HA ASN 16 HA ASN 16 3.644 10.249 -7.027 101 HB2 ASN 16 2HB ASN 16 1.319 10.508 -8.258 102 HB3 ASN 16 3HB ASN 16 2.555 11.755 -8.244 103 HD21 ASN 16 1HD2 ASN 16 3.590 12.337 -10.143 104 HD22 ASN 16 2HD2 ASN 16 3.105 11.680 -11.708 105 H LEU 17 H LEU 17 3.586 8.569 -5.698 106 HA LEU 17 HA LEU 17 2.511 5.981 -6.332 107 HB2 LEU 17 2HB LEU 17 2.989 7.250 -3.582 108 HB3 LEU 17 3HB LEU 17 2.863 5.540 -3.951 109 HG LEU 17 HG LEU 17 5.118 7.418 -4.722 110 HD11 LEU 17 1HD1 LEU 17 4.912 6.430 -2.341 111 HD12 LEU 17 2HD1 LEU 17 6.445 6.425 -3.194 112 HD13 LEU 17 3HD1 LEU 17 5.514 4.955 -3.109 113 HD21 LEU 17 3HD2 LEU 17 4.362 4.696 -5.729 114 HD22 LEU 17 1HD2 LEU 17 6.054 4.990 -5.410 115 HD23 LEU 17 2HD2 LEU 17 5.187 6.022 -6.562 116 H LYS 18 H LYS 18 0.545 5.070 -5.437 117 HA LYS 18 HA LYS 18 -1.571 7.101 -4.915 118 HB2 LYS 18 2HB LYS 18 -1.852 4.972 -7.055 119 HB3 LYS 18 3HB LYS 18 -2.993 6.277 -6.633 120 HG2 LYS 18 2HG LYS 18 -1.311 7.956 -7.309 121 HG3 LYS 18 3HG LYS 18 -0.248 6.632 -7.839 122 HD2 LYS 18 2HD LYS 18 -1.873 5.942 -9.537 123 HD3 LYS 18 3HD LYS 18 -3.011 7.179 -8.965 124 HE2 LYS 18 2HE LYS 18 -1.913 8.090 -10.898 125 HE3 LYS 18 3HE LYS 18 -1.322 8.943 -9.466 126 HZ1 LYS 18 3HZ LYS 18 0.148 6.821 -10.938 127 HZ2 LYS 18 1HZ LYS 18 0.678 7.522 -9.545 128 HZ3 LYS 18 2HZ LYS 18 0.528 8.422 -10.874 129 H LEU 19 H LEU 19 -3.460 6.552 -4.036 130 HA LEU 19 HA LEU 19 -3.212 4.700 -1.914 131 HB2 LEU 19 2HB LEU 19 -4.268 7.002 -2.008 132 HB3 LEU 19 3HB LEU 19 -5.685 6.286 -2.725 133 HG LEU 19 HG LEU 19 -4.761 5.102 -0.095 134 HD11 LEU 19 1HD1 LEU 19 -5.878 6.914 1.170 135 HD12 LEU 19 2HD1 LEU 19 -6.028 7.863 -0.329 136 HD13 LEU 19 3HD1 LEU 19 -4.426 7.476 0.337 137 HD21 LEU 19 3HD2 LEU 19 -7.503 6.051 -1.058 138 HD22 LEU 19 1HD2 LEU 19 -7.154 5.014 0.340 139 HD23 LEU 19 2HD2 LEU 19 -6.899 4.405 -1.300 140 H ALA 20 H ALA 20 -4.990 3.222 -1.149 141 HA ALA 20 HA ALA 20 -4.793 1.083 -3.149 142 HB1 ALA 20 3HB ALA 20 -3.836 0.683 -0.931 143 HB2 ALA 20 1HB ALA 20 -5.431 0.935 -0.182 144 HB3 ALA 20 2HB ALA 20 -5.161 -0.453 -1.258 145 H GLY 21 H GLY 21 -6.503 -0.349 -3.758 146 HA2 GLY 21 2HA GLY 21 -9.291 0.673 -3.298 147 HA3 GLY 21 3HA GLY 21 -8.670 0.272 -4.897 148 H GLY 22 H GLY 22 -7.223 -2.126 -4.046 149 HA2 GLY 22 2HA GLY 22 -7.445 -4.092 -2.848 150 HA3 GLY 22 3HA GLY 22 -9.193 -3.893 -2.698 151 H LYS 23 H LYS 23 -6.621 -4.430 -5.141 152 HA LYS 23 HA LYS 23 -8.507 -5.693 -7.011 153 HB2 LYS 23 2HB LYS 23 -5.495 -5.396 -7.273 154 HB3 LYS 23 3HB LYS 23 -6.638 -5.861 -8.538 155 HG2 LYS 23 2HG LYS 23 -7.808 -3.591 -8.079 156 HG3 LYS 23 3HG LYS 23 -6.342 -3.151 -7.194 157 HD2 LYS 23 2HD LYS 23 -6.562 -3.919 -10.137 158 HD3 LYS 23 3HD LYS 23 -6.260 -2.307 -9.479 159 HE2 LYS 23 2HE LYS 23 -4.105 -3.145 -8.504 160 HE3 LYS 23 3HE LYS 23 -4.399 -4.717 -9.258 161 HZ1 LYS 23 3HZ LYS 23 -4.078 -2.150 -10.723 162 HZ2 LYS 23 1HZ LYS 23 -4.364 -3.598 -11.429 163 HZ3 LYS 23 2HZ LYS 23 -2.961 -3.336 -10.638 164 H LEU 24 H LEU 24 -6.209 -6.911 -4.705 165 HA LEU 24 HA LEU 24 -7.191 -9.633 -4.987 166 HB2 LEU 24 2HB LEU 24 -5.005 -9.076 -6.561 167 HB3 LEU 24 3HB LEU 24 -4.185 -9.444 -5.067 168 HG LEU 24 HG LEU 24 -4.256 -11.342 -6.507 169 HD11 LEU 24 1HD1 LEU 24 -6.297 -12.139 -4.427 170 HD12 LEU 24 2HD1 LEU 24 -4.551 -11.892 -4.073 171 HD13 LEU 24 3HD1 LEU 24 -5.077 -13.121 -5.226 172 HD21 LEU 24 3HD2 LEU 24 -6.246 -10.737 -7.823 173 HD22 LEU 24 1HD2 LEU 24 -7.293 -11.265 -6.490 174 HD23 LEU 24 2HD2 LEU 24 -6.248 -12.435 -7.320 175 H VAL 25 H VAL 25 -6.408 -10.980 -3.182 176 HA VAL 25 HA VAL 25 -6.088 -9.379 -0.749 177 HB VAL 25 HB VAL 25 -6.720 -12.337 -1.121 178 HG11 VAL 25 1HG1 VAL 25 -5.542 -12.089 1.003 179 HG12 VAL 25 2HG1 VAL 25 -6.474 -10.618 1.375 180 HG13 VAL 25 3HG1 VAL 25 -7.259 -12.209 1.344 181 HG21 VAL 25 3HG2 VAL 25 -8.928 -11.613 -0.224 182 HG22 VAL 25 1HG2 VAL 25 -8.374 -9.930 -0.233 183 HG23 VAL 25 2HG2 VAL 25 -8.564 -10.822 -1.762 184 H LEU 26 H LEU 26 -4.484 -9.153 0.286 185 HA LEU 26 HA LEU 26 -2.131 -10.970 0.423 186 HB2 LEU 26 2HB LEU 26 -2.143 -7.963 0.141 187 HB3 LEU 26 3HB LEU 26 -0.811 -8.843 0.865 188 HG LEU 26 HG LEU 26 -0.806 -10.312 -1.279 189 HD11 LEU 26 1HD1 LEU 26 -2.199 -7.788 -2.331 190 HD12 LEU 26 2HD1 LEU 26 -2.861 -9.418 -2.423 191 HD13 LEU 26 3HD1 LEU 26 -1.441 -9.039 -3.352 192 HD21 LEU 26 3HD2 LEU 26 0.494 -8.369 -2.495 193 HD22 LEU 26 1HD2 LEU 26 1.076 -9.063 -0.998 194 HD23 LEU 26 2HD2 LEU 26 0.195 -7.524 -0.962 195 H SER 27 H SER 27 -0.877 -10.907 2.580 196 HA SER 27 HA SER 27 -2.665 -10.373 4.863 197 HB2 SER 27 2HB SER 27 -0.980 -11.644 6.062 198 HB3 SER 27 3HB SER 27 -1.412 -12.529 4.606 199 HG SER 27 HG SER 27 0.955 -12.110 5.185 200 H LYS 28 H LYS 28 -0.925 -9.733 6.781 201 HA LYS 28 HA LYS 28 -0.074 -7.032 6.727 202 HB2 LYS 28 2HB LYS 28 -0.319 -8.489 8.715 203 HB3 LYS 28 3HB LYS 28 1.025 -9.492 8.170 204 HG2 LYS 28 2HG LYS 28 2.536 -7.506 8.391 205 HG3 LYS 28 3HG LYS 28 1.177 -6.589 9.073 206 HD2 LYS 28 2HD LYS 28 2.444 -9.124 10.209 207 HD3 LYS 28 3HD LYS 28 2.713 -7.477 10.792 208 HE2 LYS 28 2HE LYS 28 0.306 -7.293 11.399 209 HE3 LYS 28 3HE LYS 28 0.041 -8.951 10.833 210 HZ1 LYS 28 3HZ LYS 28 1.605 -9.721 12.531 211 HZ2 LYS 28 1HZ LYS 28 0.391 -8.893 13.236 212 HZ3 LYS 28 2HZ LYS 28 1.858 -8.199 13.062 213 H GLU 29 H GLU 29 1.750 -9.980 5.854 214 HA GLU 29 HA GLU 29 4.160 -8.390 5.357 215 HB2 GLU 29 2HB GLU 29 3.660 -11.354 5.130 216 HB3 GLU 29 3HB GLU 29 5.199 -10.554 4.766 217 HG2 GLU 29 2HG GLU 29 5.222 -9.605 7.080 218 HG3 GLU 29 3HG GLU 29 3.759 -10.518 7.454 219 H GLY 30 H GLY 30 1.622 -10.015 3.400 220 HA2 GLY 30 2HA GLY 30 2.853 -9.577 0.841 221 HA3 GLY 30 3HA GLY 30 1.131 -9.761 1.215 222 H ALA 31 H ALA 31 0.585 -7.524 2.825 223 HA ALA 31 HA ALA 31 0.441 -5.427 0.938 224 HB1 ALA 31 3HB ALA 31 -0.341 -4.029 2.873 225 HB2 ALA 31 1HB ALA 31 -1.182 -5.587 2.803 226 HB3 ALA 31 2HB ALA 31 0.129 -5.315 3.979 227 H GLU 32 H GLU 32 2.700 -5.914 3.746 228 HA GLU 32 HA GLU 32 3.972 -3.407 3.244 229 HB2 GLU 32 2HB GLU 32 5.629 -3.831 4.720 230 HB3 GLU 32 3HB GLU 32 4.181 -4.629 5.327 231 HG2 GLU 32 2HG GLU 32 5.043 -6.777 4.571 232 HG3 GLU 32 3HG GLU 32 6.458 -6.023 3.863 233 H GLN 33 H GLN 33 4.409 -6.625 1.696 234 HA GLN 33 HA GLN 33 6.873 -5.852 0.344 235 HB2 GLN 33 2HB GLN 33 6.044 -8.236 0.795 236 HB3 GLN 33 3HB GLN 33 4.975 -8.007 -0.602 237 HG2 GLN 33 2HG GLN 33 6.981 -7.468 -2.003 238 HG3 GLN 33 3HG GLN 33 8.020 -7.664 -0.587 239 HE21 GLN 33 1HE2 GLN 33 7.561 -10.003 0.563 240 HE22 GLN 33 2HE2 GLN 33 7.600 -11.313 -0.610 241 H ILE 34 H ILE 34 3.402 -5.506 -0.418 242 HA ILE 34 HA ILE 34 3.852 -4.399 -3.093 243 HB ILE 34 HB ILE 34 1.655 -3.531 -1.202 244 HG12 ILE 34 2HG1 ILE 34 1.580 -5.605 -3.441 245 HG13 ILE 34 3HG1 ILE 34 1.751 -6.026 -1.742 246 HG21 ILE 34 1HG2 ILE 34 2.213 -1.991 -3.148 247 HG22 ILE 34 2HG2 ILE 34 2.026 -3.343 -4.248 248 HG23 ILE 34 3HG2 ILE 34 0.631 -2.711 -3.338 249 HD11 ILE 34 3HD1 ILE 34 -0.625 -6.123 -2.605 250 HD12 ILE 34 1HD1 ILE 34 -0.411 -5.074 -1.186 251 HD13 ILE 34 2HD1 ILE 34 -0.593 -4.379 -2.802 252 H ILE 35 H ILE 35 3.755 -2.820 0.179 253 HA ILE 35 HA ILE 35 4.457 -0.296 -0.921 254 HB ILE 35 HB ILE 35 3.855 -1.290 1.581 255 HG12 ILE 35 2HG1 ILE 35 2.874 0.632 0.385 256 HG13 ILE 35 3HG1 ILE 35 3.285 1.048 2.032 257 HG21 ILE 35 1HG2 ILE 35 6.156 -1.344 2.349 258 HG22 ILE 35 2HG2 ILE 35 6.422 0.320 1.806 259 HG23 ILE 35 3HG2 ILE 35 5.322 0.002 3.136 260 HD11 ILE 35 3HD1 ILE 35 5.020 1.754 -0.357 261 HD12 ILE 35 1HD1 ILE 35 3.865 2.798 0.410 262 HD13 ILE 35 2HD1 ILE 35 5.261 2.285 1.342 263 H SER 36 H SER 36 6.541 -2.934 -0.131 264 HA SER 36 HA SER 36 8.989 -1.487 -0.536 265 HB2 SER 36 2HB SER 36 8.798 -3.839 0.378 266 HB3 SER 36 3HB SER 36 8.521 -4.397 -1.285 267 HG SER 36 HG SER 36 10.746 -4.482 -0.657 268 H GLU 37 H GLU 37 6.760 -3.180 -2.848 269 HA GLU 37 HA GLU 37 8.259 -2.463 -5.217 270 HB2 GLU 37 2HB GLU 37 5.298 -3.102 -4.901 271 HB3 GLU 37 3HB GLU 37 6.138 -2.947 -6.430 272 HG2 GLU 37 2HG GLU 37 6.843 -5.026 -4.315 273 HG3 GLU 37 3HG GLU 37 5.737 -5.294 -5.649 274 H ILE 38 H ILE 38 5.473 -0.817 -3.617 275 HA ILE 38 HA ILE 38 5.200 1.290 -5.502 276 HB ILE 38 HB ILE 38 4.449 0.873 -2.607 277 HG12 ILE 38 2HG1 ILE 38 2.814 1.182 -5.176 278 HG13 ILE 38 3HG1 ILE 38 3.263 -0.358 -4.460 279 HG21 ILE 38 1HG2 ILE 38 3.011 2.923 -2.783 280 HG22 ILE 38 2HG2 ILE 38 4.731 3.132 -2.533 281 HG23 ILE 38 3HG2 ILE 38 4.009 3.376 -4.160 282 HD11 ILE 38 3HD1 ILE 38 1.324 1.699 -3.312 283 HD12 ILE 38 1HD1 ILE 38 1.000 0.046 -3.829 284 HD13 ILE 38 2HD1 ILE 38 1.967 0.337 -2.365 285 H GLN 39 H GLN 39 6.965 1.371 -2.363 286 HA GLN 39 HA GLN 39 8.097 3.971 -2.802 287 HB2 GLN 39 2HB GLN 39 8.967 1.608 -1.111 288 HB3 GLN 39 3HB GLN 39 9.819 3.160 -1.165 289 HG2 GLN 39 2HG GLN 39 7.722 4.317 -0.378 290 HG3 GLN 39 3HG GLN 39 6.944 2.751 -0.241 291 HE21 GLN 39 1HE2 GLN 39 8.236 1.042 1.077 292 HE22 GLN 39 2HE2 GLN 39 8.988 1.652 2.551 293 H ASN 40 H ASN 40 9.202 0.720 -3.778 294 HA ASN 40 HA ASN 40 11.761 1.529 -4.835 295 HB2 ASN 40 2HB ASN 40 11.250 -0.792 -4.457 296 HB3 ASN 40 3HB ASN 40 9.888 -0.749 -5.570 297 HD21 ASN 40 1HD2 ASN 40 10.286 -0.891 -7.836 298 HD22 ASN 40 2HD2 ASN 40 11.894 -1.260 -8.438 299 H GLN 41 H GLN 41 8.466 1.560 -6.423 300 HA GLN 41 HA GLN 41 9.439 2.530 -8.927 301 HB2 GLN 41 2HB GLN 41 6.717 2.684 -7.575 302 HB3 GLN 41 3HB GLN 41 7.030 3.175 -9.241 303 HG2 GLN 41 2HG GLN 41 7.742 0.960 -9.853 304 HG3 GLN 41 3HG GLN 41 7.728 0.387 -8.229 305 HE21 GLN 41 1HE2 GLN 41 5.801 -0.124 -7.171 306 HE22 GLN 41 2HE2 GLN 41 4.271 -0.276 -8.051 307 H LEU 42 H LEU 42 8.425 4.265 -5.945 308 HA LEU 42 HA LEU 42 8.846 6.891 -7.123 309 HB2 LEU 42 2HB LEU 42 7.602 6.284 -5.059 310 HB3 LEU 42 3HB LEU 42 9.071 6.092 -4.187 311 HG LEU 42 HG LEU 42 7.912 8.159 -3.696 312 HD11 LEU 42 1HD1 LEU 42 10.458 8.107 -3.652 313 HD12 LEU 42 2HD1 LEU 42 9.659 9.695 -3.661 314 HD13 LEU 42 3HD1 LEU 42 10.391 9.079 -5.140 315 HD21 LEU 42 3HD2 LEU 42 8.419 9.121 -6.507 316 HD22 LEU 42 1HD2 LEU 42 7.605 9.952 -5.147 317 HD23 LEU 42 2HD2 LEU 42 6.855 8.511 -5.894 318 H GLN 43 H GLN 43 11.058 4.589 -5.616 319 HA GLN 43 HA GLN 43 13.087 6.753 -5.191 320 HB2 GLN 43 2HB GLN 43 12.273 5.404 -3.320 321 HB3 GLN 43 3HB GLN 43 12.859 3.934 -4.101 322 HG2 GLN 43 2HG GLN 43 15.193 4.749 -3.903 323 HG3 GLN 43 3HG GLN 43 14.609 6.255 -3.181 324 HE21 GLN 43 1HE2 GLN 43 14.514 2.667 -2.721 325 HE22 GLN 43 2HE2 GLN 43 14.497 2.770 -0.956 326 H ASN 44 H ASN 44 12.961 3.553 -6.793 327 HA ASN 44 HA ASN 44 15.868 3.780 -7.415 328 HB2 ASN 44 2HB ASN 44 14.037 1.400 -6.955 329 HB3 ASN 44 3HB ASN 44 15.744 1.276 -7.367 330 HD21 ASN 44 1HD2 ASN 44 17.330 2.297 -5.841 331 HD22 ASN 44 2HD2 ASN 44 16.903 2.297 -4.139 332 H LEU 45 H LEU 45 13.222 4.412 -9.183 333 HA LEU 45 HA LEU 45 14.146 3.048 -11.672 334 HB2 LEU 45 2HB LEU 45 11.751 4.849 -11.143 335 HB3 LEU 45 3HB LEU 45 12.124 4.059 -12.671 336 HG LEU 45 HG LEU 45 11.358 2.670 -10.075 337 HD11 LEU 45 1HD1 LEU 45 9.357 2.014 -11.361 338 HD12 LEU 45 2HD1 LEU 45 9.953 2.909 -12.773 339 HD13 LEU 45 3HD1 LEU 45 9.507 3.779 -11.290 340 HD21 LEU 45 3HD2 LEU 45 12.050 1.463 -12.788 341 HD22 LEU 45 1HD2 LEU 45 11.288 0.589 -11.441 342 HD23 LEU 45 2HD2 LEU 45 12.927 1.214 -11.259 343 H LYS 46 H LYS 46 14.134 4.469 -13.622 344 HA LYS 46 HA LYS 46 15.094 6.046 -14.945 345 HB2 LYS 46 2HB LYS 46 14.562 8.026 -12.722 346 HB3 LYS 46 3HB LYS 46 14.785 8.381 -14.434 347 HG2 LYS 46 2HG LYS 46 12.693 7.199 -14.994 348 HG3 LYS 46 3HG LYS 46 12.449 6.772 -13.299 349 HD2 LYS 46 2HD LYS 46 12.374 9.575 -14.465 350 HD3 LYS 46 3HD LYS 46 11.027 8.607 -13.847 351 HE2 LYS 46 2HE LYS 46 12.545 8.556 -11.635 352 HE3 LYS 46 3HE LYS 46 13.222 10.032 -12.341 353 HZ1 LYS 46 3HZ LYS 46 10.817 10.829 -12.460 354 HZ2 LYS 46 1HZ LYS 46 11.361 10.600 -10.929 355 HZ3 LYS 46 2HZ LYS 46 10.401 9.492 -11.614 356 H1 MET 1 1H MET 1 -7.664 -23.932 -4.264 357 H2 MET 1 2H MET 1 -8.730 -22.796 -4.772 358 H3 MET 1 3H MET 1 -9.266 -24.136 -4.003 359 HA MET 1 HA MET 1 -8.200 -23.494 -1.962 360 HB2 MET 1 2HB MET 1 -6.300 -22.319 -2.967 361 HB3 MET 1 3HB MET 1 -7.354 -21.024 -3.538 362 HG2 MET 1 2HG MET 1 -6.058 -20.462 -1.508 363 HG3 MET 1 3HG MET 1 -7.794 -20.284 -1.291 364 HE1 MET 1 3HE MET 1 -5.174 -20.631 0.921 365 HE2 MET 1 1HE MET 1 -6.786 -19.955 1.238 366 HE3 MET 1 2HE MET 1 -6.173 -21.303 2.226 367 H ASN 2 H ASN 2 -9.732 -22.899 -0.533 368 HA ASN 2 HA ASN 2 -12.139 -21.502 -1.600 369 HB2 ASN 2 2HB ASN 2 -11.788 -23.310 0.822 370 HB3 ASN 2 3HB ASN 2 -13.311 -22.662 0.228 371 HD21 ASN 2 1HD2 ASN 2 -11.522 -25.448 0.223 372 HD22 ASN 2 2HD2 ASN 2 -12.117 -26.124 -1.284 373 H CYS 3 H CYS 3 -9.525 -20.736 0.469 374 HA CYS 3 HA CYS 3 -11.138 -18.709 1.973 375 HB2 CYS 3 2HB CYS 3 -8.527 -20.088 2.712 376 HB3 CYS 3 3HB CYS 3 -9.289 -18.789 3.639 377 HG CYS 3 HG CYS 3 -10.589 -21.732 2.811 378 H MET 4 H MET 4 -10.267 -16.637 2.327 379 HA MET 4 HA MET 4 -8.764 -15.481 0.103 380 HB2 MET 4 2HB MET 4 -10.172 -14.464 2.559 381 HB3 MET 4 3HB MET 4 -8.949 -13.445 1.807 382 HG2 MET 4 2HG MET 4 -10.025 -13.596 -0.363 383 HG3 MET 4 3HG MET 4 -11.255 -14.686 0.279 384 HE1 MET 4 3HE MET 4 -13.525 -12.409 2.452 385 HE2 MET 4 1HE MET 4 -13.317 -13.993 1.674 386 HE3 MET 4 2HE MET 4 -12.247 -13.507 3.010 387 H THR 5 H THR 5 -6.781 -16.145 -0.038 388 HA THR 5 HA THR 5 -4.894 -15.913 2.266 389 HB THR 5 HB THR 5 -5.067 -18.185 1.514 390 HG1 THR 5 HG1 THR 5 -2.938 -18.539 1.109 391 HG21 THR 5 3HG2 THR 5 -4.240 -17.190 -1.263 392 HG22 THR 5 1HG2 THR 5 -5.808 -17.919 -0.836 393 HG23 THR 5 2HG2 THR 5 -4.331 -18.887 -0.757 394 H CYS 6 H CYS 6 -2.981 -14.979 2.096 395 HA CYS 6 HA CYS 6 -2.583 -12.871 0.226 396 HB2 CYS 6 2HB CYS 6 -1.447 -12.983 2.447 397 HB3 CYS 6 3HB CYS 6 -0.495 -14.331 1.849 398 HG CYS 6 HG CYS 6 1.065 -12.355 1.793 399 H GLN 7 H GLN 7 -2.245 -12.958 -1.933 400 HA GLN 7 HA GLN 7 -1.246 -15.323 -3.224 401 HB2 GLN 7 2HB GLN 7 -2.797 -13.692 -4.198 402 HB3 GLN 7 3HB GLN 7 -1.501 -12.482 -4.285 403 HG2 GLN 7 2HG GLN 7 -0.267 -13.929 -5.881 404 HG3 GLN 7 3HG GLN 7 -1.495 -15.189 -5.710 405 HE21 GLN 7 1HE2 GLN 7 -0.888 -11.874 -6.961 406 HE22 GLN 7 2HE2 GLN 7 -2.241 -11.914 -8.081 407 H VAL 8 H VAL 8 0.480 -12.754 -1.703 408 HA VAL 8 HA VAL 8 3.003 -13.243 -3.204 409 HB VAL 8 HB VAL 8 2.141 -11.087 -1.257 410 HG11 VAL 8 1HG1 VAL 8 4.187 -9.863 -1.966 411 HG12 VAL 8 2HG1 VAL 8 4.548 -11.292 -1.003 412 HG13 VAL 8 3HG1 VAL 8 4.764 -11.339 -2.769 413 HG21 VAL 8 3HG2 VAL 8 2.315 -9.647 -3.313 414 HG22 VAL 8 1HG2 VAL 8 2.644 -11.102 -4.272 415 HG23 VAL 8 2HG2 VAL 8 1.073 -10.894 -3.466 416 H THR 9 H THR 9 1.627 -13.993 -0.124 417 HA THR 9 HA THR 9 4.251 -15.104 0.847 418 HB THR 9 HB THR 9 3.847 -14.426 3.087 419 HG1 THR 9 HG1 THR 9 1.999 -13.198 3.606 420 HG21 THR 9 3HG2 THR 9 4.818 -12.661 1.577 421 HG22 THR 9 1HG2 THR 9 3.942 -12.012 2.970 422 HG23 THR 9 2HG2 THR 9 3.184 -11.990 1.371 423 H GLY 10 H GLY 10 0.766 -15.365 0.844 424 HA2 GLY 10 2HA GLY 10 -0.425 -17.472 0.724 425 HA3 GLY 10 3HA GLY 10 0.954 -18.305 1.431 426 H GLU 11 H GLU 11 0.466 -15.496 3.237 427 HA GLU 11 HA GLU 11 -0.787 -16.867 5.473 428 HB2 GLU 11 2HB GLU 11 0.067 -14.051 4.858 429 HB3 GLU 11 3HB GLU 11 -0.679 -14.487 6.410 430 HG2 GLU 11 2HG GLU 11 1.186 -16.115 6.771 431 HG3 GLU 11 3HG GLU 11 1.949 -15.538 5.280 432 H VAL 12 H VAL 12 -2.739 -16.570 6.327 433 HA VAL 12 HA VAL 12 -4.957 -15.272 4.765 434 HB VAL 12 HB VAL 12 -4.723 -17.922 6.127 435 HG11 VAL 12 1HG1 VAL 12 -6.890 -17.091 6.965 436 HG12 VAL 12 2HG1 VAL 12 -7.356 -16.595 5.321 437 HG13 VAL 12 3HG1 VAL 12 -7.185 -18.314 5.734 438 HG21 VAL 12 3HG2 VAL 12 -5.438 -18.965 4.176 439 HG22 VAL 12 1HG2 VAL 12 -5.934 -17.436 3.446 440 HG23 VAL 12 2HG2 VAL 12 -4.197 -17.792 3.716 441 H SER 13 H SER 13 -5.933 -13.684 5.906 442 HA SER 13 HA SER 13 -6.515 -14.179 8.806 443 HB2 SER 13 2HB SER 13 -5.906 -11.486 7.553 444 HB3 SER 13 3HB SER 13 -6.278 -11.799 9.253 445 HG SER 13 HG SER 13 -4.346 -13.103 9.324 446 H ASP 14 H ASP 14 -8.486 -13.182 9.612 447 HA ASP 14 HA ASP 14 -10.668 -13.050 7.690 448 HB2 ASP 14 2HB ASP 14 -10.711 -12.176 10.587 449 HB3 ASP 14 3HB ASP 14 -12.085 -12.608 9.577 450 H ASP 15 H ASP 15 -8.630 -10.671 9.268 451 HA ASP 15 HA ASP 15 -10.083 -8.355 8.262 452 HB2 ASP 15 2HB ASP 15 -7.500 -8.486 9.840 453 HB3 ASP 15 3HB ASP 15 -8.557 -7.102 9.619 454 H ASN 16 H ASN 16 -8.805 -10.190 6.292 455 HA ASN 16 HA ASN 16 -6.181 -9.531 5.696 456 HB2 ASN 16 2HB ASN 16 -6.526 -10.723 3.568 457 HB3 ASN 16 3HB ASN 16 -7.092 -11.588 4.965 458 HD21 ASN 16 1HD2 ASN 16 -9.171 -12.373 4.918 459 HD22 ASN 16 2HD2 ASN 16 -10.375 -11.871 3.722 460 H LEU 17 H LEU 17 -5.058 -8.511 4.190 461 HA LEU 17 HA LEU 17 -5.999 -5.861 3.496 462 HB2 LEU 17 2HB LEU 17 -3.212 -7.115 3.359 463 HB3 LEU 17 3HB LEU 17 -3.596 -5.395 3.325 464 HG LEU 17 HG LEU 17 -4.010 -7.309 5.646 465 HD11 LEU 17 1HD1 LEU 17 -1.645 -6.294 4.970 466 HD12 LEU 17 2HD1 LEU 17 -2.149 -6.541 6.623 467 HD13 LEU 17 3HD1 LEU 17 -2.266 -4.934 5.931 468 HD21 LEU 17 3HD2 LEU 17 -4.763 -4.407 5.230 469 HD22 LEU 17 1HD2 LEU 17 -4.511 -5.053 6.834 470 HD23 LEU 17 2HD2 LEU 17 -5.783 -5.732 5.824 471 H LYS 18 H LYS 18 -5.514 -4.843 1.437 472 HA LYS 18 HA LYS 18 -5.634 -6.778 -0.824 473 HB2 LYS 18 2HB LYS 18 -7.701 -4.607 -0.376 474 HB3 LYS 18 3HB LYS 18 -7.645 -5.815 -1.682 475 HG2 LYS 18 2HG LYS 18 -7.868 -7.633 -0.030 476 HG3 LYS 18 3HG LYS 18 -8.026 -6.429 1.266 477 HD2 LYS 18 2HD LYS 18 -10.098 -5.571 0.273 478 HD3 LYS 18 3HD LYS 18 -9.928 -6.709 -1.076 479 HE2 LYS 18 2HE LYS 18 -11.474 -7.689 0.476 480 HE3 LYS 18 3HE LYS 18 -9.966 -8.612 0.539 481 HZ1 LYS 18 3HZ LYS 18 -10.766 -6.562 2.536 482 HZ2 LYS 18 1HZ LYS 18 -9.398 -7.474 2.606 483 HZ3 LYS 18 2HZ LYS 18 -10.845 -8.183 2.747 484 H LEU 19 H LEU 19 -5.080 -6.177 -2.808 485 HA LEU 19 HA LEU 19 -2.871 -4.452 -2.878 486 HB2 LEU 19 2HB LEU 19 -3.287 -6.637 -4.049 487 HB3 LEU 19 3HB LEU 19 -4.256 -5.800 -5.233 488 HG LEU 19 HG LEU 19 -1.425 -4.793 -4.844 489 HD11 LEU 19 1HD1 LEU 19 -2.089 -7.444 -6.188 490 HD12 LEU 19 2HD1 LEU 19 -1.067 -7.198 -4.755 491 HD13 LEU 19 3HD1 LEU 19 -0.542 -6.571 -6.320 492 HD21 LEU 19 3HD2 LEU 19 -3.001 -5.508 -7.361 493 HD22 LEU 19 1HD2 LEU 19 -1.518 -4.538 -7.253 494 HD23 LEU 19 2HD2 LEU 19 -3.042 -3.903 -6.618 495 H ALA 20 H ALA 20 -2.340 -2.893 -4.692 496 HA ALA 20 HA ALA 20 -4.012 -0.627 -3.922 497 HB1 ALA 20 3HB ALA 20 -1.345 -0.713 -5.377 498 HB2 ALA 20 1HB ALA 20 -2.150 0.747 -4.761 499 HB3 ALA 20 2HB ALA 20 -1.587 -0.495 -3.627 500 H GLY 21 H GLY 21 -5.189 0.751 -5.280 501 HA2 GLY 21 2HA GLY 21 -5.647 -0.217 -8.086 502 HA3 GLY 21 3HA GLY 21 -6.863 0.490 -7.028 503 H GLY 22 H GLY 22 -5.472 2.698 -6.032 504 HA2 GLY 22 2HA GLY 22 -4.051 4.461 -6.618 505 HA3 GLY 22 3HA GLY 22 -4.421 4.282 -8.335 506 H LYS 23 H LYS 23 -6.119 4.937 -5.223 507 HA LYS 23 HA LYS 23 -8.250 6.391 -6.618 508 HB2 LYS 23 2HB LYS 23 -7.887 6.015 -3.626 509 HB3 LYS 23 3HB LYS 23 -9.335 6.574 -4.470 510 HG2 LYS 23 2HG LYS 23 -9.237 4.308 -5.748 511 HG3 LYS 23 3HG LYS 23 -8.114 3.795 -4.483 512 HD2 LYS 23 2HD LYS 23 -11.006 4.697 -4.152 513 HD3 LYS 23 3HD LYS 23 -10.364 3.064 -3.944 514 HE2 LYS 23 2HE LYS 23 -8.985 3.893 -2.015 515 HE3 LYS 23 3HE LYS 23 -9.726 5.487 -2.199 516 HZ1 LYS 23 3HZ LYS 23 -11.193 2.981 -1.569 517 HZ2 LYS 23 1HZ LYS 23 -11.892 4.448 -1.753 518 HZ3 LYS 23 2HZ LYS 23 -10.869 4.177 -0.511 519 H LEU 24 H LEU 24 -5.498 7.418 -4.710 520 HA LEU 24 HA LEU 24 -5.809 10.172 -5.598 521 HB2 LEU 24 2HB LEU 24 -7.180 9.926 -3.424 522 HB3 LEU 24 3HB LEU 24 -5.652 9.607 -2.600 523 HG LEU 24 HG LEU 24 -4.844 11.866 -3.164 524 HD11 LEU 24 1HD1 LEU 24 -7.566 12.238 -4.490 525 HD12 LEU 24 2HD1 LEU 24 -5.986 12.321 -5.299 526 HD13 LEU 24 3HD1 LEU 24 -6.425 13.547 -4.114 527 HD21 LEU 24 3HD2 LEU 24 -7.638 11.837 -1.959 528 HD22 LEU 24 1HD2 LEU 24 -6.438 13.134 -1.784 529 HD23 LEU 24 2HD2 LEU 24 -6.112 11.531 -1.096 530 H VAL 25 H VAL 25 -3.797 11.456 -5.104 531 HA VAL 25 HA VAL 25 -1.473 9.683 -5.352 532 HB VAL 25 HB VAL 25 -1.843 12.649 -5.861 533 HG11 VAL 25 1HG1 VAL 25 0.706 10.983 -6.045 534 HG12 VAL 25 2HG1 VAL 25 0.485 12.569 -6.810 535 HG13 VAL 25 3HG1 VAL 25 0.449 12.441 -5.063 536 HG21 VAL 25 3HG2 VAL 25 -1.360 11.946 -8.189 537 HG22 VAL 25 1HG2 VAL 25 -1.192 10.268 -7.656 538 HG23 VAL 25 2HG2 VAL 25 -2.768 11.085 -7.557 539 H LEU 26 H LEU 26 0.050 9.440 -4.150 540 HA LEU 26 HA LEU 26 0.725 11.034 -1.743 541 HB2 LEU 26 2HB LEU 26 0.333 8.037 -1.861 542 HB3 LEU 26 3HB LEU 26 1.309 8.847 -0.647 543 HG LEU 26 HG LEU 26 -0.787 10.349 -0.218 544 HD11 LEU 26 1HD1 LEU 26 -2.080 7.810 -1.384 545 HD12 LEU 26 2HD1 LEU 26 -2.304 9.419 -2.040 546 HD13 LEU 26 3HD1 LEU 26 -2.947 9.072 -0.465 547 HD21 LEU 26 3HD2 LEU 26 -0.143 9.083 1.557 548 HD22 LEU 26 1HD2 LEU 26 -0.355 7.542 0.690 549 HD23 LEU 26 2HD2 LEU 26 -1.751 8.460 1.294 550 H SER 27 H SER 27 3.085 10.697 -1.026 551 HA SER 27 HA SER 27 4.850 9.941 -3.314 552 HB2 SER 27 2HB SER 27 4.948 12.299 -2.481 553 HB3 SER 27 3HB SER 27 5.411 11.670 -0.901 554 HG SER 27 HG SER 27 7.218 12.239 -2.343 555 H LYS 28 H LYS 28 7.105 9.433 -1.898 556 HA LYS 28 HA LYS 28 6.957 6.717 -1.096 557 HB2 LYS 28 2HB LYS 28 9.021 8.150 -1.629 558 HB3 LYS 28 3HB LYS 28 8.912 8.785 0.010 559 HG2 LYS 28 2HG LYS 28 8.989 6.316 0.778 560 HG3 LYS 28 3HG LYS 28 9.448 5.927 -0.885 561 HD2 LYS 28 2HD LYS 28 10.950 7.682 1.101 562 HD3 LYS 28 3HD LYS 28 11.405 6.064 0.554 563 HE2 LYS 28 2HE LYS 28 11.646 6.975 -1.784 564 HE3 LYS 28 3HE LYS 28 11.313 8.595 -1.148 565 HZ1 LYS 28 3HZ LYS 28 13.689 8.255 -1.257 566 HZ2 LYS 28 1HZ LYS 28 13.613 6.858 -0.409 567 HZ3 LYS 28 2HZ LYS 28 13.282 8.291 0.323 568 H GLU 29 H GLU 29 6.749 9.623 0.893 569 HA GLU 29 HA GLU 29 6.682 8.098 3.374 570 HB2 GLU 29 2HB GLU 29 6.312 11.042 2.832 571 HB3 GLU 29 3HB GLU 29 6.322 10.316 4.447 572 HG2 GLU 29 2HG GLU 29 8.620 9.422 3.990 573 HG3 GLU 29 3HG GLU 29 8.620 10.266 2.441 574 H GLY 30 H GLY 30 4.241 9.759 1.309 575 HA2 GLY 30 2HA GLY 30 2.006 9.355 3.072 576 HA3 GLY 30 3HA GLY 30 2.009 9.630 1.320 577 H ALA 31 H ALA 31 3.372 7.370 0.349 578 HA ALA 31 HA ALA 31 1.350 5.375 0.473 579 HB1 ALA 31 3HB ALA 31 2.850 5.766 -1.490 580 HB2 ALA 31 1HB ALA 31 4.211 5.103 -0.557 581 HB3 ALA 31 2HB ALA 31 2.835 4.081 -0.980 582 H GLU 32 H GLU 32 4.589 5.584 2.089 583 HA GLU 32 HA GLU 32 4.270 3.000 3.337 584 HB2 GLU 32 2HB GLU 32 6.099 3.423 4.703 585 HB3 GLU 32 3HB GLU 32 6.445 4.117 3.111 586 HG2 GLU 32 2HG GLU 32 5.937 6.306 3.895 587 HG3 GLU 32 3HG GLU 32 5.433 5.759 5.484 588 H GLN 33 H GLN 33 3.060 6.268 4.196 589 HA GLN 33 HA GLN 33 2.167 5.443 6.851 590 HB2 GLN 33 2HB GLN 33 1.900 7.832 5.096 591 HB3 GLN 33 3HB GLN 33 0.666 7.610 6.355 592 HG2 GLN 33 2HG GLN 33 2.315 7.544 8.102 593 HG3 GLN 33 3HG GLN 33 3.645 7.413 6.942 594 HE21 GLN 33 1HE2 GLN 33 3.937 9.272 5.430 595 HE22 GLN 33 2HE2 GLN 33 3.711 10.882 6.136 596 H ILE 34 H ILE 34 0.707 5.302 3.572 597 HA ILE 34 HA ILE 34 -1.811 4.227 4.538 598 HB ILE 34 HB ILE 34 -0.454 3.508 1.931 599 HG12 ILE 34 2HG1 ILE 34 -2.624 5.573 2.516 600 HG13 ILE 34 3HG1 ILE 34 -0.924 5.988 2.318 601 HG21 ILE 34 1HG2 ILE 34 -2.163 1.896 2.691 602 HG22 ILE 34 2HG2 ILE 34 -3.291 3.192 3.048 603 HG23 ILE 34 3HG2 ILE 34 -2.833 2.815 1.364 604 HD11 ILE 34 3HD1 ILE 34 -2.539 4.543 0.167 605 HD12 ILE 34 1HD1 ILE 34 -2.295 6.279 0.234 606 HD13 ILE 34 2HD1 ILE 34 -0.900 5.199 0.022 607 H ILE 35 H ILE 35 1.373 2.587 3.818 608 HA ILE 35 HA ILE 35 0.416 0.042 4.549 609 HB ILE 35 HB ILE 35 3.022 1.130 4.140 610 HG12 ILE 35 2HG1 ILE 35 1.958 -0.718 2.899 611 HG13 ILE 35 3HG1 ILE 35 3.499 -1.244 3.609 612 HG21 ILE 35 1HG2 ILE 35 3.088 -0.761 6.519 613 HG22 ILE 35 2HG2 ILE 35 4.466 -0.277 5.520 614 HG23 ILE 35 3HG2 ILE 35 3.628 0.933 6.480 615 HD11 ILE 35 3HD1 ILE 35 1.582 -2.881 3.656 616 HD12 ILE 35 1HD1 ILE 35 2.532 -2.666 5.125 617 HD13 ILE 35 2HD1 ILE 35 0.898 -1.948 4.961 618 H SER 36 H SER 36 1.504 2.602 6.661 619 HA SER 36 HA SER 36 1.311 1.082 9.118 620 HB2 SER 36 2HB SER 36 1.070 4.044 8.526 621 HB3 SER 36 3HB SER 36 0.995 3.369 10.168 622 HG SER 36 HG SER 36 3.137 3.102 8.294 623 H GLU 37 H GLU 37 -1.154 3.038 7.309 624 HA GLU 37 HA GLU 37 -3.303 2.407 9.153 625 HB2 GLU 37 2HB GLU 37 -3.364 3.178 6.211 626 HB3 GLU 37 3HB GLU 37 -4.787 3.030 7.231 627 HG2 GLU 37 2HG GLU 37 -2.499 4.976 7.755 628 HG3 GLU 37 3HG GLU 37 -3.985 5.373 6.911 629 H ILE 38 H ILE 38 -2.281 0.797 6.100 630 HA ILE 38 HA ILE 38 -4.318 -1.174 6.053 631 HB ILE 38 HB ILE 38 -1.590 -0.840 4.788 632 HG12 ILE 38 2HG1 ILE 38 -4.477 -0.945 3.752 633 HG13 ILE 38 3HG1 ILE 38 -3.528 0.513 3.992 634 HG21 ILE 38 1HG2 ILE 38 -3.290 -3.260 4.357 635 HG22 ILE 38 2HG2 ILE 38 -1.955 -2.750 3.336 636 HG23 ILE 38 3HG2 ILE 38 -1.612 -3.163 4.999 637 HD11 ILE 38 3HD1 ILE 38 -3.149 -1.626 1.859 638 HD12 ILE 38 1HD1 ILE 38 -3.525 0.085 1.652 639 HD13 ILE 38 2HD1 ILE 38 -1.907 -0.402 2.212 640 H GLN 39 H GLN 39 -0.960 -1.501 7.279 641 HA GLN 39 HA GLN 39 -1.375 -4.176 8.275 642 HB2 GLN 39 2HB GLN 39 0.678 -2.030 8.950 643 HB3 GLN 39 3HB GLN 39 0.560 -3.592 9.758 644 HG2 GLN 39 2HG GLN 39 0.712 -4.648 7.377 645 HG3 GLN 39 3HG GLN 39 1.272 -3.080 6.841 646 HE21 GLN 39 1HE2 GLN 39 2.730 -5.585 6.793 647 HE22 GLN 39 2HE2 GLN 39 4.184 -5.309 7.718 648 H ASN 40 H ASN 40 -1.945 -0.948 9.685 649 HA ASN 40 HA ASN 40 -2.737 -2.041 12.261 650 HB2 ASN 40 2HB ASN 40 -2.001 0.277 11.935 651 HB3 ASN 40 3HB ASN 40 -3.473 0.620 11.016 652 HD21 ASN 40 1HD2 ASN 40 -2.570 -0.939 14.195 653 HD22 ASN 40 2HD2 ASN 40 -3.823 -0.076 15.082 654 H GLN 41 H GLN 41 -4.564 -1.675 9.207 655 HA GLN 41 HA GLN 41 -7.093 -2.447 10.418 656 HB2 GLN 41 2HB GLN 41 -6.173 -2.785 7.537 657 HB3 GLN 41 3HB GLN 41 -7.766 -3.144 8.169 658 HG2 GLN 41 2HG GLN 41 -7.638 -0.605 9.035 659 HG3 GLN 41 3HG GLN 41 -6.483 -0.468 7.709 660 HE21 GLN 41 1HE2 GLN 41 -9.790 -1.639 8.469 661 HE22 GLN 41 2HE2 GLN 41 -10.459 -1.224 6.881 662 H LEU 42 H LEU 42 -4.407 -4.374 8.984 663 HA LEU 42 HA LEU 42 -5.686 -6.890 9.524 664 HB2 LEU 42 2HB LEU 42 -3.667 -6.397 8.100 665 HB3 LEU 42 3HB LEU 42 -2.668 -6.440 9.488 666 HG LEU 42 HG LEU 42 -2.599 -8.439 8.100 667 HD11 LEU 42 1HD1 LEU 42 -2.709 -10.162 9.707 668 HD12 LEU 42 2HD1 LEU 42 -3.907 -9.310 10.681 669 HD13 LEU 42 3HD1 LEU 42 -2.247 -8.684 10.579 670 HD21 LEU 42 3HD2 LEU 42 -4.341 -9.890 7.648 671 HD22 LEU 42 1HD2 LEU 42 -5.020 -8.280 7.364 672 HD23 LEU 42 2HD2 LEU 42 -5.428 -9.151 8.853 673 H GLN 43 H GLN 43 -3.685 -4.831 11.617 674 HA GLN 43 HA GLN 43 -3.607 -6.583 13.900 675 HB2 GLN 43 2HB GLN 43 -3.487 -3.564 13.657 676 HB3 GLN 43 3HB GLN 43 -3.284 -4.408 15.186 677 HG2 GLN 43 2HG GLN 43 -1.285 -5.499 14.477 678 HG3 GLN 43 3HG GLN 43 -1.500 -5.021 12.802 679 HE21 GLN 43 1HE2 GLN 43 0.936 -4.428 13.799 680 HE22 GLN 43 2HE2 GLN 43 1.046 -2.710 14.154 681 H ASN 44 H ASN 44 -5.922 -3.905 13.138 682 HA ASN 44 HA ASN 44 -8.058 -5.279 14.632 683 HB2 ASN 44 2HB ASN 44 -6.682 -4.156 16.414 684 HB3 ASN 44 3HB ASN 44 -6.923 -2.605 15.611 685 HD21 ASN 44 1HD2 ASN 44 -8.811 -5.374 16.982 686 HD22 ASN 44 2HD2 ASN 44 -10.099 -4.346 17.591 687 H LEU 45 H LEU 45 -7.099 -2.294 12.881 688 HA LEU 45 HA LEU 45 -9.538 -1.011 13.352 689 HB2 LEU 45 2HB LEU 45 -7.400 0.102 13.045 690 HB3 LEU 45 3HB LEU 45 -7.313 -0.432 11.376 691 HG LEU 45 HG LEU 45 -9.319 0.975 10.834 692 HD11 LEU 45 1HD1 LEU 45 -9.973 2.742 12.445 693 HD12 LEU 45 2HD1 LEU 45 -8.926 2.011 13.680 694 HD13 LEU 45 3HD1 LEU 45 -10.355 1.141 13.079 695 HD21 LEU 45 3HD2 LEU 45 -6.983 2.443 12.116 696 HD22 LEU 45 1HD2 LEU 45 -8.114 3.107 10.915 697 HD23 LEU 45 2HD2 LEU 45 -7.024 1.786 10.466 698 H LYS 46 H LYS 46 -11.422 -0.770 12.393 699 HA LYS 46 HA LYS 46 -11.655 -0.572 9.549 700 HB2 LYS 46 2HB LYS 46 -13.516 -2.021 9.152 701 HB3 LYS 46 3HB LYS 46 -12.135 -2.968 9.633 702 HG2 LYS 46 2HG LYS 46 -14.415 -2.209 11.531 703 HG3 LYS 46 3HG LYS 46 -14.445 -3.636 10.516 704 HD2 LYS 46 2HD LYS 46 -12.411 -3.120 12.722 705 HD3 LYS 46 3HD LYS 46 -13.814 -4.182 12.807 706 HE2 LYS 46 2HE LYS 46 -12.915 -5.555 10.941 707 HE3 LYS 46 3HE LYS 46 -11.490 -4.509 10.859 708 HZ1 LYS 46 3HZ LYS 46 -11.071 -6.507 12.155 709 HZ2 LYS 46 1HZ LYS 46 -12.250 -6.120 13.229 710 HZ3 LYS 46 2HZ LYS 46 -10.918 -5.160 13.093 Start of MODEL 5 1 H1 MET 1 1H MET 1 -7.649 23.678 -12.992 2 H2 MET 1 2H MET 1 -6.278 24.556 -12.788 3 H3 MET 1 3H MET 1 -7.195 24.159 -11.493 4 HA MET 1 HA MET 1 -6.737 21.843 -11.766 5 HB2 MET 1 2HB MET 1 -5.226 20.981 -13.381 6 HB3 MET 1 3HB MET 1 -6.451 21.896 -14.239 7 HG2 MET 1 2HG MET 1 -3.617 22.852 -13.635 8 HG3 MET 1 3HG MET 1 -4.172 22.166 -15.152 9 HE1 MET 1 3HE MET 1 -3.087 24.167 -16.460 10 HE2 MET 1 1HE MET 1 -3.422 25.877 -16.107 11 HE3 MET 1 2HE MET 1 -2.549 24.881 -14.921 12 H ASN 2 H ASN 2 -4.781 20.783 -10.914 13 HA ASN 2 HA ASN 2 -2.740 22.611 -9.751 14 HB2 ASN 2 2HB ASN 2 -4.468 20.641 -8.178 15 HB3 ASN 2 3HB ASN 2 -3.076 21.498 -7.533 16 HD21 ASN 2 1HD2 ASN 2 -3.252 23.793 -7.099 17 HD22 ASN 2 2HD2 ASN 2 -4.838 24.547 -7.044 18 H CYS 3 H CYS 3 -0.836 21.513 -8.995 19 HA CYS 3 HA CYS 3 0.001 19.310 -10.664 20 HB2 CYS 3 2HB CYS 3 1.341 20.668 -8.283 21 HB3 CYS 3 3HB CYS 3 2.129 19.536 -9.394 22 HG CYS 3 HG CYS 3 2.896 21.984 -9.964 23 H MET 4 H MET 4 0.739 17.229 -10.028 24 HA MET 4 HA MET 4 -0.817 15.890 -7.964 25 HB2 MET 4 2HB MET 4 1.332 15.039 -9.922 26 HB3 MET 4 3HB MET 4 0.873 13.981 -8.595 27 HG2 MET 4 2HG MET 4 -1.485 14.075 -9.281 28 HG3 MET 4 3HG MET 4 -1.067 15.170 -10.606 29 HE1 MET 4 3HE MET 4 -2.393 13.604 -12.261 30 HE2 MET 4 1HE MET 4 -2.084 11.864 -12.454 31 HE3 MET 4 2HE MET 4 -2.771 12.481 -10.934 32 H THR 5 H THR 5 -0.424 16.011 -5.892 33 HA THR 5 HA THR 5 2.304 15.645 -4.807 34 HB THR 5 HB THR 5 1.767 18.062 -4.934 35 HG1 THR 5 HG1 THR 5 2.453 18.417 -2.831 36 HG21 THR 5 3HG2 THR 5 -0.349 17.463 -2.798 37 HG22 THR 5 1HG2 THR 5 -0.683 18.004 -4.456 38 HG23 THR 5 2HG2 THR 5 0.188 19.067 -3.344 39 H CYS 6 H CYS 6 2.342 14.839 -2.659 40 HA CYS 6 HA CYS 6 0.372 12.946 -2.002 41 HB2 CYS 6 2HB CYS 6 2.779 12.884 -1.310 42 HB3 CYS 6 3HB CYS 6 2.454 14.211 -0.215 43 HG CYS 6 HG CYS 6 2.504 12.197 1.298 44 H GLN 7 H GLN 7 -1.677 13.165 -1.206 45 HA GLN 7 HA GLN 7 -2.465 15.631 0.115 46 HB2 GLN 7 2HB GLN 7 -3.926 14.400 -1.358 47 HB3 GLN 7 3HB GLN 7 -3.901 12.993 -0.288 48 HG2 GLN 7 2HG GLN 7 -5.995 14.208 -0.024 49 HG3 GLN 7 3HG GLN 7 -5.090 14.287 1.466 50 HE21 GLN 7 1HE2 GLN 7 -4.083 16.378 2.047 51 HE22 GLN 7 2HE2 GLN 7 -4.705 17.861 1.312 52 H VAL 8 H VAL 8 -0.983 12.774 1.340 53 HA VAL 8 HA VAL 8 -1.967 13.179 4.118 54 HB VAL 8 HB VAL 8 -0.295 10.979 2.867 55 HG11 VAL 8 1HG1 VAL 8 0.263 11.048 5.238 56 HG12 VAL 8 2HG1 VAL 8 -1.461 11.157 5.675 57 HG13 VAL 8 3HG1 VAL 8 -0.804 9.682 4.932 58 HG21 VAL 8 3HG2 VAL 8 -2.377 9.623 3.232 59 HG22 VAL 8 1HG2 VAL 8 -3.217 11.097 3.750 60 HG23 VAL 8 2HG2 VAL 8 -2.627 10.938 2.082 61 H THR 9 H THR 9 0.830 13.879 2.236 62 HA THR 9 HA THR 9 2.342 14.758 4.684 63 HB THR 9 HB THR 9 4.415 13.968 3.877 64 HG1 THR 9 HG1 THR 9 4.651 12.967 1.925 65 HG21 THR 9 3HG2 THR 9 2.963 12.224 4.966 66 HG22 THR 9 1HG2 THR 9 4.150 11.561 3.835 67 HG23 THR 9 2HG2 THR 9 2.453 11.689 3.347 68 H GLY 10 H GLY 10 1.844 15.202 1.247 69 HA2 GLY 10 2HA GLY 10 1.628 17.410 0.211 70 HA3 GLY 10 3HA GLY 10 2.609 18.105 1.493 71 H GLU 11 H GLU 11 4.084 15.206 0.511 72 HA GLU 11 HA GLU 11 6.108 16.584 -1.081 73 HB2 GLU 11 2HB GLU 11 5.695 13.766 -0.065 74 HB3 GLU 11 3HB GLU 11 6.991 14.137 -1.213 75 HG2 GLU 11 2HG GLU 11 6.606 15.627 1.394 76 HG3 GLU 11 3HG GLU 11 7.617 14.187 1.237 77 H VAL 12 H VAL 12 6.682 16.287 -3.099 78 HA VAL 12 HA VAL 12 4.747 15.035 -5.013 79 HB VAL 12 HB VAL 12 4.361 17.281 -5.338 80 HG11 VAL 12 1HG1 VAL 12 6.177 18.347 -4.113 81 HG12 VAL 12 2HG1 VAL 12 7.355 17.835 -5.346 82 HG13 VAL 12 3HG1 VAL 12 6.087 19.014 -5.742 83 HG21 VAL 12 3HG2 VAL 12 6.496 16.749 -7.444 84 HG22 VAL 12 1HG2 VAL 12 4.887 16.004 -7.469 85 HG23 VAL 12 2HG2 VAL 12 5.047 17.762 -7.578 86 H SER 13 H SER 13 5.461 13.612 -6.387 87 HA SER 13 HA SER 13 8.260 13.828 -7.396 88 HB2 SER 13 2HB SER 13 8.217 11.948 -5.785 89 HB3 SER 13 3HB SER 13 6.944 11.172 -6.747 90 HG SER 13 HG SER 13 9.072 10.425 -7.249 91 H ASP 14 H ASP 14 8.580 13.204 -9.533 92 HA ASP 14 HA ASP 14 6.451 13.420 -11.436 93 HB2 ASP 14 2HB ASP 14 9.072 12.029 -12.002 94 HB3 ASP 14 3HB ASP 14 8.113 13.045 -13.067 95 H ASP 15 H ASP 15 7.896 10.704 -9.762 96 HA ASP 15 HA ASP 15 6.208 8.699 -11.129 97 HB2 ASP 15 2HB ASP 15 8.780 8.413 -9.550 98 HB3 ASP 15 3HB ASP 15 7.861 7.105 -10.265 99 H ASN 16 H ASN 16 4.999 10.426 -9.325 100 HA ASN 16 HA ASN 16 4.886 9.577 -6.656 101 HB2 ASN 16 2HB ASN 16 2.777 10.842 -6.533 102 HB3 ASN 16 3HB ASN 16 4.074 11.732 -7.280 103 HD21 ASN 16 2HD2 ASN 16 3.764 12.556 -9.347 104 HD22 ASN 16 1HD2 ASN 16 2.306 12.225 -10.294 105 H LEU 17 H LEU 17 3.428 8.568 -5.425 106 HA LEU 17 HA LEU 17 2.443 6.018 -6.413 107 HB2 LEU 17 2HB LEU 17 2.849 7.064 -3.562 108 HB3 LEU 17 3HB LEU 17 2.663 5.385 -4.046 109 HG LEU 17 HG LEU 17 4.987 7.209 -4.802 110 HD11 LEU 17 1HD1 LEU 17 6.395 5.905 -3.348 111 HD12 LEU 17 2HD1 LEU 17 5.011 4.953 -2.828 112 HD13 LEU 17 3HD1 LEU 17 5.058 6.647 -2.453 113 HD21 LEU 17 3HD2 LEU 17 5.061 5.756 -6.555 114 HD22 LEU 17 1HD2 LEU 17 4.207 4.469 -5.705 115 HD23 LEU 17 2HD2 LEU 17 5.912 4.765 -5.362 116 H LYS 18 H LYS 18 0.407 5.100 -5.387 117 HA LYS 18 HA LYS 18 -1.650 7.200 -4.988 118 HB2 LYS 18 2HB LYS 18 -1.925 5.084 -7.141 119 HB3 LYS 18 3HB LYS 18 -3.134 6.298 -6.659 120 HG2 LYS 18 2HG LYS 18 -1.597 8.109 -7.344 121 HG3 LYS 18 3HG LYS 18 -0.449 6.893 -7.944 122 HD2 LYS 18 2HD LYS 18 -2.179 6.047 -9.512 123 HD3 LYS 18 3HD LYS 18 -3.299 7.307 -8.941 124 HE2 LYS 18 2HE LYS 18 -1.698 9.062 -9.658 125 HE3 LYS 18 3HE LYS 18 -0.557 7.821 -10.187 126 HZ1 LYS 18 3HZ LYS 18 -1.858 8.665 -12.051 127 HZ2 LYS 18 1HZ LYS 18 -3.266 8.241 -11.342 128 HZ3 LYS 18 2HZ LYS 18 -2.211 7.090 -11.826 129 H LEU 19 H LEU 19 -3.555 6.659 -4.087 130 HA LEU 19 HA LEU 19 -3.295 4.844 -1.931 131 HB2 LEU 19 2HB LEU 19 -4.376 7.133 -2.069 132 HB3 LEU 19 3HB LEU 19 -5.776 6.387 -2.786 133 HG LEU 19 HG LEU 19 -4.886 5.251 -0.132 134 HD11 LEU 19 1HD1 LEU 19 -5.998 7.085 1.104 135 HD12 LEU 19 2HD1 LEU 19 -6.132 8.018 -0.408 136 HD13 LEU 19 3HD1 LEU 19 -4.538 7.630 0.275 137 HD21 LEU 19 3HD2 LEU 19 -7.019 4.557 -1.346 138 HD22 LEU 19 1HD2 LEU 19 -7.614 6.206 -1.124 139 HD23 LEU 19 2HD2 LEU 19 -7.279 5.183 0.287 140 H ALA 20 H ALA 20 -5.089 3.371 -1.146 141 HA ALA 20 HA ALA 20 -4.886 1.180 -3.098 142 HB1 ALA 20 3HB ALA 20 -3.935 0.839 -0.861 143 HB2 ALA 20 1HB ALA 20 -5.537 1.101 -0.131 144 HB3 ALA 20 2HB ALA 20 -5.252 -0.308 -1.173 145 H GLY 21 H GLY 21 -6.675 -0.454 -3.363 146 HA2 GLY 21 2HA GLY 21 -9.407 0.494 -2.762 147 HA3 GLY 21 3HA GLY 21 -8.942 0.426 -4.467 148 H GLY 22 H GLY 22 -7.294 -2.052 -4.086 149 HA2 GLY 22 2HA GLY 22 -7.383 -4.098 -3.024 150 HA3 GLY 22 3HA GLY 22 -9.133 -4.012 -2.825 151 H LYS 23 H LYS 23 -6.565 -4.301 -5.310 152 HA LYS 23 HA LYS 23 -8.333 -5.568 -7.249 153 HB2 LYS 23 2HB LYS 23 -5.297 -5.409 -7.233 154 HB3 LYS 23 3HB LYS 23 -6.299 -5.942 -8.579 155 HG2 LYS 23 2HG LYS 23 -7.377 -3.681 -8.648 156 HG3 LYS 23 3HG LYS 23 -6.255 -3.139 -7.381 157 HD2 LYS 23 2HD LYS 23 -4.328 -3.705 -8.854 158 HD3 LYS 23 3HD LYS 23 -5.456 -4.230 -10.121 159 HE2 LYS 23 2HE LYS 23 -6.429 -1.934 -10.181 160 HE3 LYS 23 3HE LYS 23 -5.273 -1.427 -8.938 161 HZ1 LYS 23 3HZ LYS 23 -3.471 -1.940 -10.480 162 HZ2 LYS 23 1HZ LYS 23 -4.484 -0.852 -11.153 163 HZ3 LYS 23 2HZ LYS 23 -4.527 -2.410 -11.638 164 H LEU 24 H LEU 24 -6.189 -6.845 -4.811 165 HA LEU 24 HA LEU 24 -7.279 -9.527 -5.074 166 HB2 LEU 24 2HB LEU 24 -5.353 -9.363 -6.768 167 HB3 LEU 24 3HB LEU 24 -4.267 -9.122 -5.401 168 HG LEU 24 HG LEU 24 -4.784 -11.377 -4.550 169 HD11 LEU 24 1HD1 LEU 24 -6.602 -11.615 -6.991 170 HD12 LEU 24 2HD1 LEU 24 -7.118 -11.697 -5.291 171 HD13 LEU 24 3HD1 LEU 24 -6.095 -12.968 -5.956 172 HD21 LEU 24 3HD2 LEU 24 -2.973 -11.098 -6.176 173 HD22 LEU 24 1HD2 LEU 24 -4.116 -11.332 -7.518 174 HD23 LEU 24 2HD2 LEU 24 -3.784 -12.660 -6.391 175 H VAL 25 H VAL 25 -6.482 -10.940 -3.234 176 HA VAL 25 HA VAL 25 -6.198 -9.303 -0.806 177 HB VAL 25 HB VAL 25 -6.933 -12.211 -1.236 178 HG11 VAL 25 1HG1 VAL 25 -6.515 -10.755 1.413 179 HG12 VAL 25 2HG1 VAL 25 -7.347 -12.310 1.219 180 HG13 VAL 25 3HG1 VAL 25 -5.644 -12.199 0.838 181 HG21 VAL 25 3HG2 VAL 25 -8.421 -9.819 -0.042 182 HG22 VAL 25 1HG2 VAL 25 -8.733 -10.546 -1.634 183 HG23 VAL 25 2HG2 VAL 25 -9.055 -11.463 -0.152 184 H LEU 26 H LEU 26 -4.666 -9.233 0.451 185 HA LEU 26 HA LEU 26 -2.299 -11.029 0.447 186 HB2 LEU 26 2HB LEU 26 -2.293 -7.995 0.347 187 HB3 LEU 26 3HB LEU 26 -0.955 -8.946 0.963 188 HG LEU 26 HG LEU 26 -1.031 -10.231 -1.292 189 HD11 LEU 26 1HD1 LEU 26 -3.102 -9.158 -2.304 190 HD12 LEU 26 2HD1 LEU 26 -1.689 -8.780 -3.240 191 HD13 LEU 26 3HD1 LEU 26 -2.361 -7.579 -2.104 192 HD21 LEU 26 3HD2 LEU 26 0.879 -9.033 -0.932 193 HD22 LEU 26 1HD2 LEU 26 0.022 -7.474 -0.847 194 HD23 LEU 26 2HD2 LEU 26 0.300 -8.289 -2.401 195 H SER 27 H SER 27 -1.104 -11.023 2.615 196 HA SER 27 HA SER 27 -2.903 -10.238 4.869 197 HB2 SER 27 2HB SER 27 -2.082 -12.649 4.591 198 HB3 SER 27 3HB SER 27 -0.487 -12.023 5.049 199 HG SER 27 HG SER 27 -1.737 -12.699 6.884 200 H LYS 28 H LYS 28 -1.084 -9.963 6.809 201 HA LYS 28 HA LYS 28 -0.233 -7.280 6.780 202 HB2 LYS 28 2HB LYS 28 -0.353 -8.735 8.787 203 HB3 LYS 28 3HB LYS 28 1.004 -9.691 8.203 204 HG2 LYS 28 2HG LYS 28 2.468 -7.688 8.347 205 HG3 LYS 28 3HG LYS 28 1.108 -6.748 8.990 206 HD2 LYS 28 2HD LYS 28 2.306 -9.237 10.291 207 HD3 LYS 28 3HD LYS 28 2.779 -7.576 10.669 208 HE2 LYS 28 2HE LYS 28 0.425 -7.067 11.339 209 HE3 LYS 28 3HE LYS 28 -0.003 -8.762 11.062 210 HZ1 LYS 28 3HZ LYS 28 0.567 -8.252 13.420 211 HZ2 LYS 28 1HZ LYS 28 2.084 -7.874 12.984 212 HZ3 LYS 28 2HZ LYS 28 1.548 -9.406 12.793 213 H GLU 29 H GLU 29 1.626 -10.129 5.911 214 HA GLU 29 HA GLU 29 4.049 -8.599 5.433 215 HB2 GLU 29 2HB GLU 29 3.433 -11.521 4.991 216 HB3 GLU 29 3HB GLU 29 5.016 -10.779 4.721 217 HG2 GLU 29 2HG GLU 29 5.027 -10.001 7.107 218 HG3 GLU 29 3HG GLU 29 3.518 -10.871 7.376 219 H GLY 30 H GLY 30 1.495 -10.041 3.352 220 HA2 GLY 30 2HA GLY 30 2.790 -9.475 0.850 221 HA3 GLY 30 3HA GLY 30 1.069 -9.721 1.166 222 H ALA 31 H ALA 31 0.471 -7.536 2.919 223 HA ALA 31 HA ALA 31 0.249 -5.425 1.023 224 HB1 ALA 31 3HB ALA 31 -1.332 -5.885 2.924 225 HB2 ALA 31 1HB ALA 31 -0.099 -5.263 4.048 226 HB3 ALA 31 2HB ALA 31 -0.827 -4.198 2.835 227 H GLU 32 H GLU 32 2.479 -5.899 3.841 228 HA GLU 32 HA GLU 32 3.810 -3.391 3.293 229 HB2 GLU 32 2HB GLU 32 5.537 -3.927 4.741 230 HB3 GLU 32 3HB GLU 32 3.990 -4.441 5.415 231 HG2 GLU 32 2HG GLU 32 4.455 -6.723 4.888 232 HG3 GLU 32 3HG GLU 32 5.932 -6.320 4.008 233 H GLN 33 H GLN 33 4.174 -6.655 1.829 234 HA GLN 33 HA GLN 33 6.679 -6.020 0.535 235 HB2 GLN 33 2HB GLN 33 5.923 -8.358 0.838 236 HB3 GLN 33 3HB GLN 33 4.588 -8.068 -0.281 237 HG2 GLN 33 2HG GLN 33 6.431 -9.208 -1.419 238 HG3 GLN 33 3HG GLN 33 6.179 -7.617 -2.115 239 HE21 GLN 33 1HE2 GLN 33 8.302 -7.075 -2.857 240 HE22 GLN 33 2HE2 GLN 33 9.699 -7.152 -1.791 241 H ILE 34 H ILE 34 3.224 -5.493 -0.307 242 HA ILE 34 HA ILE 34 3.773 -4.326 -2.900 243 HB ILE 34 HB ILE 34 1.531 -3.524 -1.028 244 HG12 ILE 34 2HG1 ILE 34 1.474 -5.464 -3.381 245 HG13 ILE 34 3HG1 ILE 34 1.646 -5.998 -1.713 246 HG21 ILE 34 1HG2 ILE 34 0.554 -2.666 -3.219 247 HG22 ILE 34 2HG2 ILE 34 2.041 -1.859 -2.779 248 HG23 ILE 34 3HG2 ILE 34 2.086 -3.106 -4.016 249 HD11 ILE 34 3HD1 ILE 34 -0.517 -5.068 -1.092 250 HD12 ILE 34 1HD1 ILE 34 -0.699 -4.284 -2.665 251 HD13 ILE 34 2HD1 ILE 34 -0.733 -6.038 -2.566 252 H ILE 35 H ILE 35 3.755 -2.852 0.432 253 HA ILE 35 HA ILE 35 4.462 -0.294 -0.518 254 HB ILE 35 HB ILE 35 4.389 -1.474 2.063 255 HG12 ILE 35 2HG1 ILE 35 3.207 0.531 1.348 256 HG13 ILE 35 3HG1 ILE 35 4.237 0.885 2.752 257 HG21 ILE 35 1HG2 ILE 35 6.959 0.137 1.804 258 HG22 ILE 35 2HG2 ILE 35 6.165 -0.356 3.307 259 HG23 ILE 35 3HG2 ILE 35 6.826 -1.581 2.232 260 HD11 ILE 35 3HD1 ILE 35 4.135 2.648 0.972 261 HD12 ILE 35 1HD1 ILE 35 5.734 2.174 1.542 262 HD13 ILE 35 2HD1 ILE 35 5.106 1.627 -0.047 263 H SER 36 H SER 36 6.563 -3.041 -0.013 264 HA SER 36 HA SER 36 9.026 -1.659 -0.619 265 HB2 SER 36 2HB SER 36 8.809 -3.972 0.411 266 HB3 SER 36 3HB SER 36 8.468 -4.585 -1.220 267 HG SER 36 HG SER 36 10.727 -4.655 -0.594 268 H GLU 37 H GLU 37 6.653 -3.372 -2.753 269 HA GLU 37 HA GLU 37 8.076 -2.793 -5.202 270 HB2 GLU 37 2HB GLU 37 5.064 -3.089 -4.918 271 HB3 GLU 37 3HB GLU 37 6.023 -3.250 -6.376 272 HG2 GLU 37 2HG GLU 37 5.809 -5.155 -4.047 273 HG3 GLU 37 3HG GLU 37 5.386 -5.428 -5.718 274 H ILE 38 H ILE 38 5.443 -0.990 -3.550 275 HA ILE 38 HA ILE 38 5.154 1.050 -5.493 276 HB ILE 38 HB ILE 38 4.417 0.679 -2.577 277 HG12 ILE 38 2HG1 ILE 38 2.865 1.005 -5.206 278 HG13 ILE 38 3HG1 ILE 38 3.164 -0.514 -4.373 279 HG21 ILE 38 1HG2 ILE 38 4.815 2.932 -2.524 280 HG22 ILE 38 2HG2 ILE 38 3.925 3.213 -4.062 281 HG23 ILE 38 3HG2 ILE 38 3.082 2.716 -2.596 282 HD11 ILE 38 3HD1 ILE 38 1.806 0.448 -2.407 283 HD12 ILE 38 1HD1 ILE 38 1.318 1.749 -3.520 284 HD13 ILE 38 2HD1 ILE 38 0.914 0.075 -3.903 285 H GLN 39 H GLN 39 6.976 1.197 -2.408 286 HA GLN 39 HA GLN 39 8.134 3.772 -2.947 287 HB2 GLN 39 2HB GLN 39 8.960 1.492 -1.101 288 HB3 GLN 39 3HB GLN 39 9.841 3.007 -1.290 289 HG2 GLN 39 2HG GLN 39 7.599 4.195 -0.688 290 HG3 GLN 39 3HG GLN 39 7.067 2.635 -0.100 291 HE21 GLN 39 1HE2 GLN 39 7.460 5.068 1.448 292 HE22 GLN 39 2HE2 GLN 39 8.621 4.657 2.685 293 H ASN 40 H ASN 40 9.165 0.459 -3.808 294 HA ASN 40 HA ASN 40 11.677 1.245 -5.006 295 HB2 ASN 40 2HB ASN 40 11.259 -1.059 -4.484 296 HB3 ASN 40 3HB ASN 40 9.839 -1.111 -5.520 297 HD21 ASN 40 1HD2 ASN 40 10.093 -1.471 -7.749 298 HD22 ASN 40 2HD2 ASN 40 11.670 -1.802 -8.445 299 H GLN 41 H GLN 41 8.304 1.327 -6.418 300 HA GLN 41 HA GLN 41 9.288 1.981 -9.061 301 HB2 GLN 41 2HB GLN 41 6.562 2.388 -7.755 302 HB3 GLN 41 3HB GLN 41 6.952 2.787 -9.433 303 HG2 GLN 41 2HG GLN 41 7.716 0.389 -9.737 304 HG3 GLN 41 3HG GLN 41 7.033 0.020 -8.178 305 HE21 GLN 41 1HE2 GLN 41 5.982 -1.484 -10.085 306 HE22 GLN 41 2HE2 GLN 41 4.389 -0.901 -10.551 307 H LEU 42 H LEU 42 8.326 3.964 -6.209 308 HA LEU 42 HA LEU 42 8.858 6.432 -7.655 309 HB2 LEU 42 2HB LEU 42 7.439 6.235 -5.715 310 HB3 LEU 42 3HB LEU 42 8.805 5.965 -4.653 311 HG LEU 42 HG LEU 42 8.797 8.458 -6.403 312 HD11 LEU 42 1HD1 LEU 42 7.182 8.125 -3.863 313 HD12 LEU 42 2HD1 LEU 42 6.590 8.536 -5.493 314 HD13 LEU 42 3HD1 LEU 42 7.581 9.693 -4.602 315 HD21 LEU 42 3HD2 LEU 42 9.847 9.434 -4.308 316 HD22 LEU 42 1HD2 LEU 42 10.788 8.128 -5.011 317 HD23 LEU 42 2HD2 LEU 42 9.785 7.805 -3.595 318 H GLN 43 H GLN 43 10.978 4.300 -5.796 319 HA GLN 43 HA GLN 43 13.057 6.454 -5.635 320 HB2 GLN 43 2HB GLN 43 12.314 5.220 -3.627 321 HB3 GLN 43 3HB GLN 43 12.973 3.722 -4.307 322 HG2 GLN 43 2HG GLN 43 15.242 4.628 -4.227 323 HG3 GLN 43 3HG GLN 43 14.634 6.229 -3.787 324 HE21 GLN 43 1HE2 GLN 43 15.023 2.858 -2.568 325 HE22 GLN 43 2HE2 GLN 43 14.879 3.332 -0.881 326 H ASN 44 H ASN 44 12.721 3.220 -7.101 327 HA ASN 44 HA ASN 44 15.580 3.217 -7.837 328 HB2 ASN 44 2HB ASN 44 14.244 1.395 -6.534 329 HB3 ASN 44 3HB ASN 44 13.602 0.944 -8.112 330 HD21 ASN 44 1HD2 ASN 44 14.660 -1.080 -7.215 331 HD22 ASN 44 2HD2 ASN 44 16.350 -1.344 -7.675 332 H LEU 45 H LEU 45 12.974 4.409 -9.392 333 HA LEU 45 HA LEU 45 13.833 3.479 -12.115 334 HB2 LEU 45 2HB LEU 45 11.164 4.645 -11.265 335 HB3 LEU 45 3HB LEU 45 11.598 4.101 -12.881 336 HG LEU 45 HG LEU 45 11.287 2.329 -10.420 337 HD11 LEU 45 1HD1 LEU 45 9.676 2.510 -13.002 338 HD12 LEU 45 2HD1 LEU 45 9.173 3.164 -11.432 339 HD13 LEU 45 3HD1 LEU 45 9.367 1.415 -11.637 340 HD21 LEU 45 3HD2 LEU 45 11.990 1.571 -13.291 341 HD22 LEU 45 1HD2 LEU 45 11.540 0.429 -12.005 342 HD23 LEU 45 2HD2 LEU 45 13.027 1.364 -11.863 343 H LYS 46 H LYS 46 14.576 5.900 -10.152 344 HA LYS 46 HA LYS 46 14.445 8.086 -12.192 345 HB2 LYS 46 2HB LYS 46 14.623 8.367 -9.170 346 HB3 LYS 46 3HB LYS 46 14.498 9.665 -10.362 347 HG2 LYS 46 2HG LYS 46 12.265 8.623 -11.083 348 HG3 LYS 46 3HG LYS 46 12.402 7.563 -9.679 349 HD2 LYS 46 2HD LYS 46 11.025 9.297 -8.931 350 HD3 LYS 46 3HD LYS 46 12.609 9.712 -8.256 351 HE2 LYS 46 2HE LYS 46 12.959 11.289 -10.194 352 HE3 LYS 46 3HE LYS 46 11.371 10.829 -10.818 353 HZ1 LYS 46 3HZ LYS 46 10.439 11.680 -8.664 354 HZ2 LYS 46 1HZ LYS 46 11.090 12.832 -9.628 355 HZ3 LYS 46 2HZ LYS 46 11.913 12.299 -8.304 356 H1 MET 1 1H MET 1 -16.062 -22.925 -1.051 357 H2 MET 1 2H MET 1 -15.390 -23.335 -2.486 358 H3 MET 1 3H MET 1 -16.825 -22.548 -2.453 359 HA MET 1 HA MET 1 -15.058 -21.044 -3.081 360 HB2 MET 1 2HB MET 1 -17.041 -20.190 -1.835 361 HB3 MET 1 3HB MET 1 -16.180 -20.433 -0.310 362 HG2 MET 1 2HG MET 1 -14.466 -18.803 -1.020 363 HG3 MET 1 3HG MET 1 -15.286 -18.595 -2.571 364 HE1 MET 1 3HE MET 1 -14.352 -16.292 -0.515 365 HE2 MET 1 1HE MET 1 -15.092 -15.959 -2.097 366 HE3 MET 1 2HE MET 1 -15.732 -15.179 -0.633 367 H ASN 2 H ASN 2 -12.956 -20.352 -2.843 368 HA ASN 2 HA ASN 2 -11.205 -21.823 -1.007 369 HB2 ASN 2 2HB ASN 2 -10.623 -19.630 -3.050 370 HB3 ASN 2 3HB ASN 2 -9.413 -20.591 -2.206 371 HD21 ASN 2 1HD2 ASN 2 -9.644 -23.082 -2.517 372 HD22 ASN 2 2HD2 ASN 2 -10.107 -23.578 -4.137 373 H CYS 3 H CYS 3 -9.609 -20.738 0.381 374 HA CYS 3 HA CYS 3 -10.808 -18.737 2.103 375 HB2 CYS 3 2HB CYS 3 -8.695 -18.968 3.374 376 HB3 CYS 3 3HB CYS 3 -9.451 -20.530 3.029 377 HG CYS 3 HG CYS 3 -6.848 -20.780 2.874 378 H MET 4 H MET 4 -9.927 -16.678 2.665 379 HA MET 4 HA MET 4 -8.688 -15.191 0.429 380 HB2 MET 4 2HB MET 4 -10.064 -14.404 2.984 381 HB3 MET 4 3HB MET 4 -8.823 -13.352 2.352 382 HG2 MET 4 2HG MET 4 -10.872 -12.610 1.395 383 HG3 MET 4 3HG MET 4 -9.936 -13.386 0.119 384 HE1 MET 4 3HE MET 4 -12.326 -14.981 2.957 385 HE2 MET 4 1HE MET 4 -13.115 -13.494 2.378 386 HE3 MET 4 2HE MET 4 -13.824 -15.081 2.010 387 H THR 5 H THR 5 -6.709 -15.870 0.177 388 HA THR 5 HA THR 5 -4.739 -15.617 2.413 389 HB THR 5 HB THR 5 -5.215 -17.960 1.900 390 HG1 THR 5 HG1 THR 5 -3.070 -18.524 1.703 391 HG21 THR 5 3HG2 THR 5 -4.047 -17.365 -0.874 392 HG22 THR 5 1HG2 THR 5 -5.730 -17.827 -0.525 393 HG23 THR 5 2HG2 THR 5 -4.422 -18.972 -0.209 394 H CYS 6 H CYS 6 -2.671 -14.969 1.908 395 HA CYS 6 HA CYS 6 -2.463 -12.925 -0.057 396 HB2 CYS 6 2HB CYS 6 -1.314 -12.968 2.185 397 HB3 CYS 6 3HB CYS 6 -0.310 -14.275 1.590 398 HG CYS 6 HG CYS 6 1.205 -12.287 1.410 399 H GLN 7 H GLN 7 -2.098 -13.052 -2.190 400 HA GLN 7 HA GLN 7 -0.958 -15.491 -3.328 401 HB2 GLN 7 2HB GLN 7 -2.763 -14.285 -4.379 402 HB3 GLN 7 3HB GLN 7 -1.746 -12.852 -4.583 403 HG2 GLN 7 2HG GLN 7 -1.976 -14.059 -6.697 404 HG3 GLN 7 3HG GLN 7 -0.305 -14.078 -6.179 405 HE21 GLN 7 1HE2 GLN 7 0.584 -16.142 -5.362 406 HE22 GLN 7 2HE2 GLN 7 -0.219 -17.654 -5.804 407 H VAL 8 H VAL 8 0.496 -12.675 -2.034 408 HA VAL 8 HA VAL 8 3.013 -12.956 -3.595 409 HB VAL 8 HB VAL 8 2.107 -10.885 -1.573 410 HG11 VAL 8 1HG1 VAL 8 3.983 -9.498 -2.441 411 HG12 VAL 8 2HG1 VAL 8 4.539 -10.910 -1.548 412 HG13 VAL 8 3HG1 VAL 8 4.593 -10.912 -3.329 413 HG21 VAL 8 3HG2 VAL 8 0.824 -10.736 -3.663 414 HG22 VAL 8 1HG2 VAL 8 1.988 -9.411 -3.608 415 HG23 VAL 8 2HG2 VAL 8 2.320 -10.829 -4.619 416 H THR 9 H THR 9 1.766 -13.895 -0.544 417 HA THR 9 HA THR 9 4.474 -14.809 0.382 418 HB THR 9 HB THR 9 4.089 -14.215 2.642 419 HG1 THR 9 HG1 THR 9 2.232 -13.220 3.324 420 HG21 THR 9 3HG2 THR 9 4.912 -12.355 1.170 421 HG22 THR 9 1HG2 THR 9 4.025 -11.801 2.598 422 HG23 THR 9 2HG2 THR 9 3.233 -11.787 1.010 423 H GLY 10 H GLY 10 0.988 -15.284 0.583 424 HA2 GLY 10 2HA GLY 10 -0.040 -17.494 0.453 425 HA3 GLY 10 3HA GLY 10 1.418 -18.212 1.120 426 H GLU 11 H GLU 11 0.743 -15.412 2.921 427 HA GLU 11 HA GLU 11 -0.378 -16.966 5.143 428 HB2 GLU 11 2HB GLU 11 0.525 -14.091 4.792 429 HB3 GLU 11 3HB GLU 11 -0.244 -14.656 6.278 430 HG2 GLU 11 2HG GLU 11 2.280 -15.768 5.032 431 HG3 GLU 11 3HG GLU 11 2.192 -14.695 6.437 432 H VAL 12 H VAL 12 -2.169 -16.530 6.281 433 HA VAL 12 HA VAL 12 -4.420 -15.148 4.871 434 HB VAL 12 HB VAL 12 -4.958 -17.322 4.409 435 HG11 VAL 12 1HG1 VAL 12 -5.038 -19.198 6.019 436 HG12 VAL 12 2HG1 VAL 12 -3.398 -18.595 5.780 437 HG13 VAL 12 3HG1 VAL 12 -4.294 -18.165 7.257 438 HG21 VAL 12 3HG2 VAL 12 -6.826 -16.024 5.537 439 HG22 VAL 12 1HG2 VAL 12 -6.996 -17.787 5.562 440 HG23 VAL 12 2HG2 VAL 12 -6.468 -16.925 7.019 441 H SER 13 H SER 13 -5.175 -13.512 5.938 442 HA SER 13 HA SER 13 -5.600 -13.736 8.883 443 HB2 SER 13 2HB SER 13 -5.637 -11.200 8.809 444 HB3 SER 13 3HB SER 13 -4.054 -11.966 8.613 445 HG SER 13 HG SER 13 -3.948 -11.371 6.604 446 H ASP 14 H ASP 14 -7.655 -13.322 9.628 447 HA ASP 14 HA ASP 14 -9.881 -13.543 7.835 448 HB2 ASP 14 2HB ASP 14 -9.861 -14.265 10.212 449 HB3 ASP 14 3HB ASP 14 -9.765 -12.577 10.719 450 H ASP 15 H ASP 15 -8.145 -10.781 9.082 451 HA ASP 15 HA ASP 15 -10.044 -8.748 8.314 452 HB2 ASP 15 2HB ASP 15 -7.099 -8.408 8.902 453 HB3 ASP 15 3HB ASP 15 -8.393 -7.236 9.127 454 H ASN 16 H ASN 16 -7.883 -10.574 6.487 455 HA ASN 16 HA ASN 16 -6.815 -10.305 4.467 456 HB2 ASN 16 2HB ASN 16 -8.503 -10.709 2.805 457 HB3 ASN 16 3HB ASN 16 -8.842 -11.566 4.297 458 HD21 ASN 16 1HD2 ASN 16 -10.632 -10.490 5.766 459 HD22 ASN 16 2HD2 ASN 16 -11.917 -9.730 4.850 460 H LEU 17 H LEU 17 -5.463 -8.553 4.381 461 HA LEU 17 HA LEU 17 -6.218 -5.918 3.544 462 HB2 LEU 17 2HB LEU 17 -3.479 -7.286 3.425 463 HB3 LEU 17 3HB LEU 17 -3.792 -5.563 3.364 464 HG LEU 17 HG LEU 17 -4.264 -7.396 5.725 465 HD11 LEU 17 1HD1 LEU 17 -1.943 -7.028 5.385 466 HD12 LEU 17 2HD1 LEU 17 -2.437 -6.051 6.775 467 HD13 LEU 17 3HD1 LEU 17 -2.139 -5.320 5.192 468 HD21 LEU 17 3HD2 LEU 17 -5.067 -4.552 5.202 469 HD22 LEU 17 1HD2 LEU 17 -4.491 -4.945 6.810 470 HD23 LEU 17 2HD2 LEU 17 -5.888 -5.804 6.133 471 H LYS 18 H LYS 18 -5.604 -4.914 1.500 472 HA LYS 18 HA LYS 18 -5.616 -6.803 -0.800 473 HB2 LYS 18 2HB LYS 18 -7.595 -4.520 -0.534 474 HB3 LYS 18 3HB LYS 18 -7.488 -5.754 -1.813 475 HG2 LYS 18 2HG LYS 18 -7.992 -7.522 -0.177 476 HG3 LYS 18 3HG LYS 18 -8.201 -6.274 1.074 477 HD2 LYS 18 2HD LYS 18 -10.062 -5.274 -0.231 478 HD3 LYS 18 3HD LYS 18 -9.846 -6.531 -1.467 479 HE2 LYS 18 2HE LYS 18 -11.660 -7.208 -0.017 480 HE3 LYS 18 3HE LYS 18 -10.275 -8.284 0.221 481 HZ1 LYS 18 3HZ LYS 18 -11.174 -7.703 2.326 482 HZ2 LYS 18 1HZ LYS 18 -11.071 -6.077 2.050 483 HZ3 LYS 18 2HZ LYS 18 -9.722 -7.018 2.237 484 H LEU 19 H LEU 19 -5.139 -6.097 -2.835 485 HA LEU 19 HA LEU 19 -2.850 -4.430 -2.848 486 HB2 LEU 19 2HB LEU 19 -3.332 -6.584 -4.082 487 HB3 LEU 19 3HB LEU 19 -4.271 -5.680 -5.233 488 HG LEU 19 HG LEU 19 -1.438 -4.722 -4.786 489 HD11 LEU 19 1HD1 LEU 19 -0.541 -6.475 -6.287 490 HD12 LEU 19 2HD1 LEU 19 -2.098 -7.336 -6.198 491 HD13 LEU 19 3HD1 LEU 19 -1.098 -7.128 -4.743 492 HD21 LEU 19 3HD2 LEU 19 -1.473 -4.383 -7.174 493 HD22 LEU 19 1HD2 LEU 19 -3.025 -3.780 -6.575 494 HD23 LEU 19 2HD2 LEU 19 -2.937 -5.361 -7.365 495 H ALA 20 H ALA 20 -2.347 -2.818 -4.619 496 HA ALA 20 HA ALA 20 -3.953 -0.554 -3.754 497 HB1 ALA 20 3HB ALA 20 -1.420 -0.658 -5.428 498 HB2 ALA 20 1HB ALA 20 -2.156 0.806 -4.739 499 HB3 ALA 20 2HB ALA 20 -1.518 -0.451 -3.663 500 H GLY 21 H GLY 21 -5.408 0.675 -4.929 501 HA2 GLY 21 2HA GLY 21 -6.178 -0.277 -7.618 502 HA3 GLY 21 3HA GLY 21 -7.114 0.718 -6.515 503 H GLY 22 H GLY 22 -5.674 2.820 -5.940 504 HA2 GLY 22 2HA GLY 22 -4.142 4.444 -6.781 505 HA3 GLY 22 3HA GLY 22 -4.666 4.142 -8.434 506 H LYS 23 H LYS 23 -6.185 5.044 -5.276 507 HA LYS 23 HA LYS 23 -8.347 6.468 -6.662 508 HB2 LYS 23 2HB LYS 23 -7.798 6.233 -3.680 509 HB3 LYS 23 3HB LYS 23 -9.240 6.920 -4.421 510 HG2 LYS 23 2HG LYS 23 -9.690 4.705 -5.512 511 HG3 LYS 23 3HG LYS 23 -8.320 4.025 -4.603 512 HD2 LYS 23 2HD LYS 23 -9.393 4.669 -2.473 513 HD3 LYS 23 3HD LYS 23 -10.764 5.370 -3.337 514 HE2 LYS 23 2HE LYS 23 -9.922 2.446 -3.505 515 HE3 LYS 23 3HE LYS 23 -11.122 3.059 -2.367 516 HZ1 LYS 23 3HZ LYS 23 -12.468 3.798 -4.262 517 HZ2 LYS 23 1HZ LYS 23 -12.209 2.192 -4.342 518 HZ3 LYS 23 2HZ LYS 23 -11.383 3.197 -5.327 519 H LEU 24 H LEU 24 -5.610 7.531 -4.691 520 HA LEU 24 HA LEU 24 -5.815 10.265 -5.734 521 HB2 LEU 24 2HB LEU 24 -7.265 10.050 -3.605 522 HB3 LEU 24 3HB LEU 24 -5.762 9.756 -2.724 523 HG LEU 24 HG LEU 24 -4.947 12.006 -3.297 524 HD11 LEU 24 1HD1 LEU 24 -6.008 12.416 -5.482 525 HD12 LEU 24 2HD1 LEU 24 -6.500 13.661 -4.338 526 HD13 LEU 24 3HD1 LEU 24 -7.619 12.339 -4.733 527 HD21 LEU 24 3HD2 LEU 24 -7.786 11.975 -2.197 528 HD22 LEU 24 1HD2 LEU 24 -6.613 13.291 -2.009 529 HD23 LEU 24 2HD2 LEU 24 -6.290 11.710 -1.272 530 H VAL 25 H VAL 25 -3.835 11.532 -5.226 531 HA VAL 25 HA VAL 25 -1.527 9.756 -5.456 532 HB VAL 25 HB VAL 25 -1.873 12.745 -5.893 533 HG11 VAL 25 1HG1 VAL 25 0.417 12.626 -6.931 534 HG12 VAL 25 2HG1 VAL 25 0.442 12.451 -5.181 535 HG13 VAL 25 3HG1 VAL 25 0.599 11.011 -6.218 536 HG21 VAL 25 3HG2 VAL 25 -1.342 10.396 -7.768 537 HG22 VAL 25 1HG2 VAL 25 -2.886 11.267 -7.613 538 HG23 VAL 25 2HG2 VAL 25 -1.458 12.092 -8.256 539 H LEU 26 H LEU 26 0.033 9.476 -4.249 540 HA LEU 26 HA LEU 26 0.670 11.046 -1.812 541 HB2 LEU 26 2HB LEU 26 0.239 8.055 -1.961 542 HB3 LEU 26 3HB LEU 26 1.231 8.828 -0.736 543 HG LEU 26 HG LEU 26 -0.839 10.371 -0.304 544 HD11 LEU 26 1HD1 LEU 26 -3.017 9.155 -0.565 545 HD12 LEU 26 2HD1 LEU 26 -2.176 7.851 -1.449 546 HD13 LEU 26 3HD1 LEU 26 -2.345 9.452 -2.142 547 HD21 LEU 26 3HD2 LEU 26 -1.832 8.500 1.206 548 HD22 LEU 26 1HD2 LEU 26 -0.223 9.113 1.478 549 HD23 LEU 26 2HD2 LEU 26 -0.437 7.570 0.618 550 H SER 27 H SER 27 2.988 10.850 -1.084 551 HA SER 27 HA SER 27 4.820 10.018 -3.292 552 HB2 SER 27 2HB SER 27 4.904 12.370 -2.437 553 HB3 SER 27 3HB SER 27 5.366 11.723 -0.859 554 HG SER 27 HG SER 27 7.175 12.301 -2.271 555 H LYS 28 H LYS 28 7.020 9.497 -1.888 556 HA LYS 28 HA LYS 28 6.962 6.793 -1.141 557 HB2 LYS 28 2HB LYS 28 8.915 8.310 -1.656 558 HB3 LYS 28 3HB LYS 28 8.771 9.014 -0.053 559 HG2 LYS 28 2HG LYS 28 9.183 6.758 0.936 560 HG3 LYS 28 3HG LYS 28 9.439 6.111 -0.696 561 HD2 LYS 28 2HD LYS 28 11.086 8.210 0.778 562 HD3 LYS 28 3HD LYS 28 11.560 6.546 0.417 563 HE2 LYS 28 2HE LYS 28 11.461 7.093 -2.038 564 HE3 LYS 28 3HE LYS 28 11.098 8.775 -1.615 565 HZ1 LYS 28 3HZ LYS 28 13.250 8.792 -0.379 566 HZ2 LYS 28 1HZ LYS 28 13.453 8.549 -1.980 567 HZ3 LYS 28 2HZ LYS 28 13.581 7.287 -0.951 568 H GLU 29 H GLU 29 6.654 9.623 0.938 569 HA GLU 29 HA GLU 29 6.538 8.012 3.369 570 HB2 GLU 29 2HB GLU 29 6.252 10.985 2.938 571 HB3 GLU 29 3HB GLU 29 6.203 10.193 4.520 572 HG2 GLU 29 2HG GLU 29 8.479 9.228 4.064 573 HG3 GLU 29 3HG GLU 29 8.548 10.168 2.571 574 H GLY 30 H GLY 30 4.172 9.735 1.270 575 HA2 GLY 30 2HA GLY 30 1.888 9.353 2.965 576 HA3 GLY 30 3HA GLY 30 1.942 9.604 1.211 577 H ALA 31 H ALA 31 3.304 7.334 0.277 578 HA ALA 31 HA ALA 31 1.308 5.337 0.403 579 HB1 ALA 31 3HB ALA 31 2.824 5.490 -1.532 580 HB2 ALA 31 1HB ALA 31 4.229 5.136 -0.502 581 HB3 ALA 31 2HB ALA 31 3.015 3.888 -0.792 582 H GLU 32 H GLU 32 4.516 5.581 2.067 583 HA GLU 32 HA GLU 32 4.148 3.057 3.343 584 HB2 GLU 32 2HB GLU 32 5.919 3.365 4.733 585 HB3 GLU 32 3HB GLU 32 6.286 4.124 3.189 586 HG2 GLU 32 2HG GLU 32 5.868 6.315 4.151 587 HG3 GLU 32 3HG GLU 32 5.388 5.614 5.688 588 H GLN 33 H GLN 33 2.888 6.318 4.180 589 HA GLN 33 HA GLN 33 2.037 5.598 6.868 590 HB2 GLN 33 2HB GLN 33 2.443 7.949 6.012 591 HB3 GLN 33 3HB GLN 33 0.962 7.793 5.066 592 HG2 GLN 33 2HG GLN 33 0.459 8.988 7.092 593 HG3 GLN 33 3HG GLN 33 -0.310 7.410 7.208 594 HE21 GLN 33 1HE2 GLN 33 2.559 9.318 8.293 595 HE22 GLN 33 2HE2 GLN 33 2.808 8.362 9.746 596 H ILE 34 H ILE 34 0.567 5.381 3.617 597 HA ILE 34 HA ILE 34 -2.022 4.422 4.562 598 HB ILE 34 HB ILE 34 -0.635 3.647 1.980 599 HG12 ILE 34 2HG1 ILE 34 -2.827 5.699 2.529 600 HG13 ILE 34 3HG1 ILE 34 -1.123 6.118 2.365 601 HG21 ILE 34 1HG2 ILE 34 -2.357 2.014 2.712 602 HG22 ILE 34 2HG2 ILE 34 -3.498 3.306 3.040 603 HG23 ILE 34 3HG2 ILE 34 -3.001 2.926 1.369 604 HD11 ILE 34 3HD1 ILE 34 -1.056 5.308 0.071 605 HD12 ILE 34 1HD1 ILE 34 -2.698 4.655 0.190 606 HD13 ILE 34 2HD1 ILE 34 -2.461 6.389 0.246 607 H ILE 35 H ILE 35 1.028 2.629 3.711 608 HA ILE 35 HA ILE 35 -0.131 0.168 4.509 609 HB ILE 35 HB ILE 35 2.314 0.986 3.500 610 HG12 ILE 35 2HG1 ILE 35 0.754 -0.759 2.695 611 HG13 ILE 35 3HG1 ILE 35 2.405 -1.317 2.726 612 HG21 ILE 35 1HG2 ILE 35 2.835 -0.792 5.925 613 HG22 ILE 35 2HG2 ILE 35 3.970 -0.523 4.601 614 HG23 ILE 35 3HG2 ILE 35 3.479 0.834 5.623 615 HD11 ILE 35 3HD1 ILE 35 0.776 -2.970 3.539 616 HD12 ILE 35 1HD1 ILE 35 2.045 -2.650 4.715 617 HD13 ILE 35 2HD1 ILE 35 0.398 -1.972 4.913 618 H SER 36 H SER 36 1.337 2.593 6.523 619 HA SER 36 HA SER 36 1.309 1.039 8.944 620 HB2 SER 36 2HB SER 36 2.355 3.334 8.644 621 HB3 SER 36 3HB SER 36 0.719 4.015 8.749 622 HG SER 36 HG SER 36 1.753 3.967 10.788 623 H GLU 37 H GLU 37 -1.235 2.985 7.270 624 HA GLU 37 HA GLU 37 -3.301 2.429 9.235 625 HB2 GLU 37 2HB GLU 37 -3.510 3.272 6.317 626 HB3 GLU 37 3HB GLU 37 -4.868 3.145 7.415 627 HG2 GLU 37 2HG GLU 37 -2.500 4.990 7.935 628 HG3 GLU 37 3HG GLU 37 -3.921 5.461 7.021 629 H ILE 38 H ILE 38 -2.470 0.801 6.090 630 HA ILE 38 HA ILE 38 -4.595 -1.074 6.186 631 HB ILE 38 HB ILE 38 -1.866 -1.025 4.871 632 HG12 ILE 38 2HG1 ILE 38 -4.716 -0.665 3.796 633 HG13 ILE 38 3HG1 ILE 38 -3.579 0.636 4.086 634 HG21 ILE 38 1HG2 ILE 38 -2.642 -3.359 5.222 635 HG22 ILE 38 2HG2 ILE 38 -4.079 -2.978 4.228 636 HG23 ILE 38 3HG2 ILE 38 -2.451 -2.918 3.533 637 HD11 ILE 38 3HD1 ILE 38 -2.027 -0.416 2.363 638 HD12 ILE 38 1HD1 ILE 38 -3.332 -1.559 1.973 639 HD13 ILE 38 2HD1 ILE 38 -3.580 0.168 1.719 640 H GLN 39 H GLN 39 -1.185 -1.517 7.243 641 HA GLN 39 HA GLN 39 -1.588 -4.125 8.355 642 HB2 GLN 39 2HB GLN 39 0.502 -1.968 8.857 643 HB3 GLN 39 3HB GLN 39 0.448 -3.498 9.734 644 HG2 GLN 39 2HG GLN 39 0.442 -4.620 7.358 645 HG3 GLN 39 3HG GLN 39 1.052 -3.076 6.780 646 HE21 GLN 39 1HE2 GLN 39 2.410 -5.679 6.794 647 HE22 GLN 39 2HE2 GLN 39 3.882 -5.420 7.701 648 H ASN 40 H ASN 40 -2.080 -0.890 9.728 649 HA ASN 40 HA ASN 40 -2.716 -1.804 12.408 650 HB2 ASN 40 2HB ASN 40 -2.100 0.501 11.937 651 HB3 ASN 40 3HB ASN 40 -3.508 0.708 10.895 652 HD21 ASN 40 1HD2 ASN 40 -5.227 1.718 11.897 653 HD22 ASN 40 2HD2 ASN 40 -5.507 1.667 13.629 654 H GLN 41 H GLN 41 -4.827 -1.506 9.437 655 HA GLN 41 HA GLN 41 -7.248 -2.100 10.866 656 HB2 GLN 41 2HB GLN 41 -6.427 -2.181 7.935 657 HB3 GLN 41 3HB GLN 41 -8.065 -2.525 8.511 658 HG2 GLN 41 2HG GLN 41 -8.233 -0.349 9.541 659 HG3 GLN 41 3HG GLN 41 -6.608 0.068 9.198 660 HE21 GLN 41 1HE2 GLN 41 -5.925 0.556 7.069 661 HE22 GLN 41 2HE2 GLN 41 -7.101 0.973 5.813 662 H LEU 42 H LEU 42 -4.747 -4.116 9.286 663 HA LEU 42 HA LEU 42 -6.122 -6.577 9.964 664 HB2 LEU 42 2HB LEU 42 -4.377 -6.408 8.330 665 HB3 LEU 42 3HB LEU 42 -3.149 -6.096 9.518 666 HG LEU 42 HG LEU 42 -4.812 -8.659 9.687 667 HD11 LEU 42 1HD1 LEU 42 -3.993 -8.689 7.444 668 HD12 LEU 42 2HD1 LEU 42 -2.923 -9.731 8.379 669 HD13 LEU 42 3HD1 LEU 42 -2.397 -8.087 7.942 670 HD21 LEU 42 3HD2 LEU 42 -2.659 -9.532 10.652 671 HD22 LEU 42 1HD2 LEU 42 -3.316 -8.214 11.608 672 HD23 LEU 42 2HD2 LEU 42 -1.965 -7.900 10.503 673 H GLN 43 H GLN 43 -3.744 -4.643 11.786 674 HA GLN 43 HA GLN 43 -3.539 -6.711 13.777 675 HB2 GLN 43 2HB GLN 43 -1.647 -5.387 12.938 676 HB3 GLN 43 3HB GLN 43 -2.311 -3.938 13.697 677 HG2 GLN 43 2HG GLN 43 -0.486 -4.890 15.022 678 HG3 GLN 43 3HG GLN 43 -1.986 -4.932 15.931 679 HE21 GLN 43 1HE2 GLN 43 -3.004 -7.046 16.322 680 HE22 GLN 43 2HE2 GLN 43 -2.041 -8.513 16.125 681 H ASN 44 H ASN 44 -5.156 -3.509 13.922 682 HA ASN 44 HA ASN 44 -5.815 -4.062 16.807 683 HB2 ASN 44 2HB ASN 44 -5.192 -1.424 15.440 684 HB3 ASN 44 3HB ASN 44 -5.609 -1.624 17.138 685 HD21 ASN 44 1HD2 ASN 44 -3.020 -1.043 15.258 686 HD22 ASN 44 2HD2 ASN 44 -1.782 -1.852 16.222 687 H LEU 45 H LEU 45 -7.313 -3.266 13.749 688 HA LEU 45 HA LEU 45 -9.740 -2.171 14.991 689 HB2 LEU 45 2HB LEU 45 -8.900 -2.854 12.176 690 HB3 LEU 45 3HB LEU 45 -10.590 -2.630 12.531 691 HG LEU 45 HG LEU 45 -9.524 -0.625 11.600 692 HD11 LEU 45 1HD1 LEU 45 -11.557 -0.460 13.001 693 HD12 LEU 45 2HD1 LEU 45 -10.541 0.985 13.096 694 HD13 LEU 45 3HD1 LEU 45 -10.543 -0.177 14.434 695 HD21 LEU 45 3HD2 LEU 45 -7.299 -0.765 12.722 696 HD22 LEU 45 1HD2 LEU 45 -8.071 -0.317 14.256 697 HD23 LEU 45 2HD2 LEU 45 -8.079 0.814 12.890 698 H LYS 46 H LYS 46 -11.808 -3.099 14.873 699 HA LYS 46 HA LYS 46 -12.139 -5.997 14.522 700 HB2 LYS 46 2HB LYS 46 -13.006 -6.382 16.755 701 HB3 LYS 46 3HB LYS 46 -11.328 -5.893 16.826 702 HG2 LYS 46 2HG LYS 46 -11.782 -3.784 17.729 703 HG3 LYS 46 3HG LYS 46 -13.430 -3.735 17.141 704 HD2 LYS 46 2HD LYS 46 -12.384 -5.410 19.452 705 HD3 LYS 46 3HD LYS 46 -13.415 -3.986 19.553 706 HE2 LYS 46 2HE LYS 46 -14.143 -6.747 18.507 707 HE3 LYS 46 3HE LYS 46 -14.782 -5.926 19.928 708 HZ1 LYS 46 3HZ LYS 46 -16.351 -5.791 18.109 709 HZ2 LYS 46 1HZ LYS 46 -15.252 -5.141 17.092 710 HZ3 LYS 46 2HZ LYS 46 -15.794 -4.281 18.387 Start of MODEL 6 1 H1 MET 1 1H MET 1 -5.526 22.887 -13.610 2 H2 MET 1 2H MET 1 -6.149 23.971 -12.557 3 H3 MET 1 3H MET 1 -7.152 23.014 -13.429 4 HA MET 1 HA MET 1 -7.027 22.252 -11.169 5 HB2 MET 1 2HB MET 1 -6.646 19.939 -11.539 6 HB3 MET 1 3HB MET 1 -7.393 20.585 -12.987 7 HG2 MET 1 2HG MET 1 -4.429 19.952 -12.648 8 HG3 MET 1 3HG MET 1 -5.618 18.925 -13.428 9 HE1 MET 1 3HE MET 1 -3.311 20.013 -16.388 10 HE2 MET 1 1HE MET 1 -2.821 19.726 -14.704 11 HE3 MET 1 2HE MET 1 -4.003 18.648 -15.484 12 H ASN 2 H ASN 2 -5.729 21.098 -9.512 13 HA ASN 2 HA ASN 2 -3.176 22.439 -9.063 14 HB2 ASN 2 2HB ASN 2 -4.972 21.910 -7.320 15 HB3 ASN 2 3HB ASN 2 -4.479 20.219 -7.434 16 HD21 ASN 2 1HD2 ASN 2 -4.163 20.724 -5.025 17 HD22 ASN 2 2HD2 ASN 2 -2.586 21.358 -4.575 18 H CYS 3 H CYS 3 -1.198 21.260 -8.501 19 HA CYS 3 HA CYS 3 -0.487 19.193 -10.463 20 HB2 CYS 3 2HB CYS 3 1.078 20.582 -8.244 21 HB3 CYS 3 3HB CYS 3 1.770 19.414 -9.380 22 HG CYS 3 HG CYS 3 0.175 22.234 -10.131 23 H MET 4 H MET 4 0.505 17.154 -9.891 24 HA MET 4 HA MET 4 -0.934 15.664 -7.856 25 HB2 MET 4 2HB MET 4 1.242 15.025 -9.857 26 HB3 MET 4 3HB MET 4 0.878 13.889 -8.570 27 HG2 MET 4 2HG MET 4 -1.538 13.943 -9.221 28 HG3 MET 4 3HG MET 4 -1.127 14.979 -10.587 29 HE1 MET 4 3HE MET 4 0.216 14.205 -12.719 30 HE2 MET 4 1HE MET 4 1.611 13.699 -11.735 31 HE3 MET 4 2HE MET 4 0.918 12.586 -12.930 32 H THR 5 H THR 5 -0.572 16.036 -5.796 33 HA THR 5 HA THR 5 2.149 15.682 -4.664 34 HB THR 5 HB THR 5 1.574 18.086 -4.804 35 HG1 THR 5 HG1 THR 5 2.202 18.464 -2.701 36 HG21 THR 5 3HG2 THR 5 -0.078 19.049 -3.245 37 HG22 THR 5 1HG2 THR 5 -0.592 17.429 -2.725 38 HG23 THR 5 2HG2 THR 5 -0.896 17.972 -4.387 39 H CYS 6 H CYS 6 2.184 14.943 -2.509 40 HA CYS 6 HA CYS 6 0.284 12.957 -1.871 41 HB2 CYS 6 2HB CYS 6 2.717 12.932 -1.227 42 HB3 CYS 6 3HB CYS 6 2.383 14.241 -0.112 43 HG CYS 6 HG CYS 6 2.516 12.220 1.370 44 H GLN 7 H GLN 7 -1.708 13.058 -0.963 45 HA GLN 7 HA GLN 7 -2.538 15.485 0.427 46 HB2 GLN 7 2HB GLN 7 -3.929 14.240 -1.091 47 HB3 GLN 7 3HB GLN 7 -3.972 12.844 -0.008 48 HG2 GLN 7 2HG GLN 7 -4.867 15.487 1.140 49 HG3 GLN 7 3HG GLN 7 -5.864 14.817 -0.136 50 HE21 GLN 7 1HE2 GLN 7 -4.579 14.071 3.141 51 HE22 GLN 7 2HE2 GLN 7 -5.871 12.925 3.509 52 H VAL 8 H VAL 8 -0.973 12.610 1.549 53 HA VAL 8 HA VAL 8 -1.857 12.962 4.364 54 HB VAL 8 HB VAL 8 -0.047 10.914 3.046 55 HG11 VAL 8 1HG1 VAL 8 0.648 11.069 5.381 56 HG12 VAL 8 2HG1 VAL 8 -1.046 11.009 5.920 57 HG13 VAL 8 3HG1 VAL 8 -0.292 9.601 5.143 58 HG21 VAL 8 3HG2 VAL 8 -1.956 9.378 3.519 59 HG22 VAL 8 1HG2 VAL 8 -2.896 10.751 4.135 60 HG23 VAL 8 2HG2 VAL 8 -2.427 10.680 2.423 61 H THR 9 H THR 9 0.854 13.819 2.375 62 HA THR 9 HA THR 9 2.393 14.792 4.771 63 HB THR 9 HB THR 9 4.456 14.070 3.880 64 HG1 THR 9 HG1 THR 9 4.646 13.086 1.910 65 HG21 THR 9 3HG2 THR 9 4.255 11.667 3.870 66 HG22 THR 9 1HG2 THR 9 2.562 11.730 3.367 67 HG23 THR 9 2HG2 THR 9 3.028 12.300 4.984 68 H GLY 10 H GLY 10 1.706 15.263 1.363 69 HA2 GLY 10 2HA GLY 10 1.456 17.448 0.328 70 HA3 GLY 10 3HA GLY 10 2.431 18.168 1.600 71 H GLU 11 H GLU 11 3.973 15.315 0.580 72 HA GLU 11 HA GLU 11 5.922 16.761 -1.051 73 HB2 GLU 11 2HB GLU 11 5.646 13.915 -0.044 74 HB3 GLU 11 3HB GLU 11 6.922 14.375 -1.175 75 HG2 GLU 11 2HG GLU 11 6.425 15.604 1.547 76 HG3 GLU 11 3HG GLU 11 7.692 14.433 1.147 77 H VAL 12 H VAL 12 6.548 16.365 -3.050 78 HA VAL 12 HA VAL 12 4.600 15.081 -4.932 79 HB VAL 12 HB VAL 12 4.236 17.309 -5.342 80 HG11 VAL 12 1HG1 VAL 12 7.232 17.848 -5.372 81 HG12 VAL 12 2HG1 VAL 12 5.968 19.014 -5.811 82 HG13 VAL 12 3HG1 VAL 12 6.059 18.410 -4.158 83 HG21 VAL 12 3HG2 VAL 12 6.370 16.676 -7.421 84 HG22 VAL 12 1HG2 VAL 12 4.760 15.932 -7.413 85 HG23 VAL 12 2HG2 VAL 12 4.922 17.684 -7.600 86 H SER 13 H SER 13 5.314 13.455 -6.070 87 HA SER 13 HA SER 13 8.124 13.502 -7.092 88 HB2 SER 13 2HB SER 13 7.920 11.675 -5.500 89 HB3 SER 13 3HB SER 13 6.435 11.110 -6.291 90 HG SER 13 HG SER 13 9.102 11.014 -7.225 91 H ASP 14 H ASP 14 8.397 13.145 -9.267 92 HA ASP 14 HA ASP 14 6.118 13.285 -11.067 93 HB2 ASP 14 2HB ASP 14 7.861 13.010 -12.831 94 HB3 ASP 14 3HB ASP 14 8.083 14.378 -11.758 95 H ASP 15 H ASP 15 7.634 10.627 -9.417 96 HA ASP 15 HA ASP 15 6.426 8.626 -11.202 97 HB2 ASP 15 2HB ASP 15 7.988 8.325 -8.626 98 HB3 ASP 15 3HB ASP 15 7.489 7.038 -9.705 99 H ASN 16 H ASN 16 5.451 10.523 -8.576 100 HA ASN 16 HA ASN 16 3.822 10.261 -6.903 101 HB2 ASN 16 2HB ASN 16 1.609 10.541 -8.289 102 HB3 ASN 16 3HB ASN 16 2.854 11.769 -8.256 103 HD21 ASN 16 1HD2 ASN 16 4.046 12.210 -10.095 104 HD22 ASN 16 2HD2 ASN 16 3.622 11.544 -11.674 105 H LEU 17 H LEU 17 3.672 8.571 -5.614 106 HA LEU 17 HA LEU 17 2.625 5.989 -6.356 107 HB2 LEU 17 2HB LEU 17 3.040 7.215 -3.584 108 HB3 LEU 17 3HB LEU 17 2.870 5.507 -3.968 109 HG LEU 17 HG LEU 17 5.176 7.319 -4.758 110 HD11 LEU 17 1HD1 LEU 17 5.060 5.080 -2.725 111 HD12 LEU 17 2HD1 LEU 17 5.246 6.774 -2.440 112 HD13 LEU 17 3HD1 LEU 17 6.534 5.883 -3.274 113 HD21 LEU 17 3HD2 LEU 17 4.410 4.573 -5.660 114 HD22 LEU 17 1HD2 LEU 17 6.108 4.912 -5.383 115 HD23 LEU 17 2HD2 LEU 17 5.190 5.885 -6.543 116 H LYS 18 H LYS 18 0.672 5.042 -5.481 117 HA LYS 18 HA LYS 18 -1.494 7.030 -5.025 118 HB2 LYS 18 2HB LYS 18 -1.638 4.901 -7.177 119 HB3 LYS 18 3HB LYS 18 -2.854 6.144 -6.780 120 HG2 LYS 18 2HG LYS 18 -1.234 7.913 -7.385 121 HG3 LYS 18 3HG LYS 18 -0.082 6.655 -7.881 122 HD2 LYS 18 2HD LYS 18 -1.606 5.895 -9.649 123 HD3 LYS 18 3HD LYS 18 -2.811 7.087 -9.126 124 HE2 LYS 18 2HE LYS 18 -1.661 8.055 -10.998 125 HE3 LYS 18 3HE LYS 18 -1.156 8.912 -9.537 126 HZ1 LYS 18 3HZ LYS 18 0.436 6.842 -10.957 127 HZ2 LYS 18 1HZ LYS 18 0.894 7.560 -9.547 128 HZ3 LYS 18 2HZ LYS 18 0.767 8.451 -10.883 129 H LEU 19 H LEU 19 -3.361 6.451 -4.155 130 HA LEU 19 HA LEU 19 -3.100 4.595 -2.023 131 HB2 LEU 19 2HB LEU 19 -4.130 6.910 -2.095 132 HB3 LEU 19 3HB LEU 19 -5.571 6.216 -2.785 133 HG LEU 19 HG LEU 19 -4.628 4.990 -0.191 134 HD11 LEU 19 1HD1 LEU 19 -5.631 6.833 1.127 135 HD12 LEU 19 2HD1 LEU 19 -5.768 7.809 -0.357 136 HD13 LEU 19 3HD1 LEU 19 -4.173 7.335 0.269 137 HD21 LEU 19 3HD2 LEU 19 -7.012 5.030 0.318 138 HD22 LEU 19 1HD2 LEU 19 -6.816 4.391 -1.319 139 HD23 LEU 19 2HD2 LEU 19 -7.339 6.069 -1.085 140 H ALA 20 H ALA 20 -4.974 3.179 -1.247 141 HA ALA 20 HA ALA 20 -4.813 0.990 -3.186 142 HB1 ALA 20 3HB ALA 20 -5.335 -0.459 -1.265 143 HB2 ALA 20 1HB ALA 20 -3.981 0.628 -0.907 144 HB3 ALA 20 2HB ALA 20 -5.597 0.976 -0.250 145 H GLY 21 H GLY 21 -6.637 -0.506 -3.612 146 HA2 GLY 21 2HA GLY 21 -9.364 0.625 -3.223 147 HA3 GLY 21 3HA GLY 21 -8.769 0.333 -4.859 148 H GLY 22 H GLY 22 -7.328 -2.155 -4.196 149 HA2 GLY 22 2HA GLY 22 -7.547 -4.119 -2.996 150 HA3 GLY 22 3HA GLY 22 -9.293 -3.922 -2.840 151 H LYS 23 H LYS 23 -6.717 -4.474 -5.277 152 HA LYS 23 HA LYS 23 -8.549 -5.743 -7.170 153 HB2 LYS 23 2HB LYS 23 -5.510 -5.666 -7.190 154 HB3 LYS 23 3HB LYS 23 -6.543 -6.222 -8.502 155 HG2 LYS 23 2HG LYS 23 -7.558 -3.937 -8.645 156 HG3 LYS 23 3HG LYS 23 -6.408 -3.379 -7.411 157 HD2 LYS 23 2HD LYS 23 -4.515 -4.055 -8.881 158 HD3 LYS 23 3HD LYS 23 -5.672 -4.595 -10.116 159 HE2 LYS 23 2HE LYS 23 -6.579 -2.281 -10.262 160 HE3 LYS 23 3HE LYS 23 -5.410 -1.759 -9.037 161 HZ1 LYS 23 3HZ LYS 23 -3.620 -2.364 -10.558 162 HZ2 LYS 23 1HZ LYS 23 -4.610 -1.283 -11.275 163 HZ3 LYS 23 2HZ LYS 23 -4.685 -2.857 -11.698 164 H LEU 24 H LEU 24 -6.327 -6.994 -4.762 165 HA LEU 24 HA LEU 24 -7.458 -9.679 -4.904 166 HB2 LEU 24 2HB LEU 24 -5.681 -9.546 -6.736 167 HB3 LEU 24 3HB LEU 24 -4.484 -9.250 -5.478 168 HG LEU 24 HG LEU 24 -4.865 -11.495 -4.545 169 HD11 LEU 24 1HD1 LEU 24 -6.917 -11.819 -6.782 170 HD12 LEU 24 2HD1 LEU 24 -7.256 -11.866 -5.038 171 HD13 LEU 24 3HD1 LEU 24 -6.285 -13.138 -5.775 172 HD21 LEU 24 3HD2 LEU 24 -4.513 -11.502 -7.570 173 HD22 LEU 24 1HD2 LEU 24 -4.039 -12.805 -6.462 174 HD23 LEU 24 2HD2 LEU 24 -3.239 -11.222 -6.361 175 H VAL 25 H VAL 25 -6.608 -11.057 -3.071 176 HA VAL 25 HA VAL 25 -6.266 -9.352 -0.710 177 HB VAL 25 HB VAL 25 -6.891 -12.314 -0.959 178 HG11 VAL 25 1HG1 VAL 25 -6.675 -10.558 1.529 179 HG12 VAL 25 2HG1 VAL 25 -7.449 -12.148 1.489 180 HG13 VAL 25 3HG1 VAL 25 -5.729 -12.025 1.160 181 HG21 VAL 25 3HG2 VAL 25 -8.747 -10.837 -1.633 182 HG22 VAL 25 1HG2 VAL 25 -9.099 -11.608 -0.081 183 HG23 VAL 25 2HG2 VAL 25 -8.574 -9.909 -0.127 184 H LEU 26 H LEU 26 -4.726 -9.227 0.561 185 HA LEU 26 HA LEU 26 -2.324 -10.985 0.553 186 HB2 LEU 26 2HB LEU 26 -2.384 -7.964 0.322 187 HB3 LEU 26 3HB LEU 26 -1.026 -8.840 0.999 188 HG LEU 26 HG LEU 26 -1.087 -10.272 -1.186 189 HD11 LEU 26 1HD1 LEU 26 -1.737 -8.922 -3.204 190 HD12 LEU 26 2HD1 LEU 26 -2.411 -7.663 -2.131 191 HD13 LEU 26 3HD1 LEU 26 -3.153 -9.249 -2.249 192 HD21 LEU 26 3HD2 LEU 26 0.255 -8.378 -2.371 193 HD22 LEU 26 1HD2 LEU 26 0.823 -9.077 -0.874 194 HD23 LEU 26 2HD2 LEU 26 -0.020 -7.511 -0.845 195 H SER 27 H SER 27 -1.073 -11.036 2.629 196 HA SER 27 HA SER 27 -2.727 -10.605 5.003 197 HB2 SER 27 2HB SER 27 -0.856 -11.775 6.049 198 HB3 SER 27 3HB SER 27 -1.339 -12.656 4.597 199 HG SER 27 HG SER 27 0.963 -12.307 4.768 200 H LYS 28 H LYS 28 -1.076 -9.832 6.844 201 HA LYS 28 HA LYS 28 -0.383 -7.083 6.706 202 HB2 LYS 28 2HB LYS 28 -0.454 -9.002 8.650 203 HB3 LYS 28 3HB LYS 28 1.282 -8.946 8.380 204 HG2 LYS 28 2HG LYS 28 1.166 -6.451 8.771 205 HG3 LYS 28 3HG LYS 28 -0.552 -6.628 9.143 206 HD2 LYS 28 2HD LYS 28 0.099 -8.241 10.986 207 HD3 LYS 28 3HD LYS 28 1.800 -7.901 10.619 208 HE2 LYS 28 2HE LYS 28 1.391 -5.475 11.091 209 HE3 LYS 28 3HE LYS 28 -0.289 -5.853 11.506 210 HZ1 LYS 28 3HZ LYS 28 2.126 -6.845 12.934 211 HZ2 LYS 28 1HZ LYS 28 0.602 -7.318 13.287 212 HZ3 LYS 28 2HZ LYS 28 1.045 -5.763 13.514 213 H GLU 29 H GLU 29 1.553 -9.952 5.976 214 HA GLU 29 HA GLU 29 3.949 -8.384 5.471 215 HB2 GLU 29 2HB GLU 29 3.400 -11.342 5.136 216 HB3 GLU 29 3HB GLU 29 4.965 -10.570 4.857 217 HG2 GLU 29 2HG GLU 29 4.932 -9.723 7.223 218 HG3 GLU 29 3HG GLU 29 3.450 -10.639 7.502 219 H GLY 30 H GLY 30 1.426 -10.018 3.467 220 HA2 GLY 30 2HA GLY 30 2.649 -9.521 0.932 221 HA3 GLY 30 3HA GLY 30 0.928 -9.707 1.308 222 H ALA 31 H ALA 31 0.356 -7.485 2.922 223 HA ALA 31 HA ALA 31 0.198 -5.395 1.028 224 HB1 ALA 31 3HB ALA 31 -0.593 -4.014 2.977 225 HB2 ALA 31 1HB ALA 31 -1.399 -5.597 2.909 226 HB3 ALA 31 2HB ALA 31 -0.091 -5.301 4.075 227 H GLU 32 H GLU 32 2.445 -5.847 3.839 228 HA GLU 32 HA GLU 32 3.781 -3.382 3.261 229 HB2 GLU 32 2HB GLU 32 5.418 -3.794 4.761 230 HB3 GLU 32 3HB GLU 32 3.955 -4.547 5.386 231 HG2 GLU 32 2HG GLU 32 4.776 -6.733 4.697 232 HG3 GLU 32 3HG GLU 32 6.199 -6.024 3.953 233 H GLN 33 H GLN 33 4.165 -6.633 1.789 234 HA GLN 33 HA GLN 33 6.661 -5.968 0.446 235 HB2 GLN 33 2HB GLN 33 5.877 -8.317 0.841 236 HB3 GLN 33 3HB GLN 33 4.600 -8.047 -0.347 237 HG2 GLN 33 2HG GLN 33 6.494 -9.199 -1.385 238 HG3 GLN 33 3HG GLN 33 6.301 -7.608 -2.101 239 HE21 GLN 33 1HE2 GLN 33 8.443 -6.987 -2.672 240 HE22 GLN 33 2HE2 GLN 33 9.781 -7.108 -1.534 241 H ILE 34 H ILE 34 3.200 -5.532 -0.357 242 HA ILE 34 HA ILE 34 3.701 -4.484 -3.035 243 HB ILE 34 HB ILE 34 1.486 -3.572 -1.179 244 HG12 ILE 34 2HG1 ILE 34 1.410 -5.655 -3.407 245 HG13 ILE 34 3HG1 ILE 34 1.567 -6.069 -1.706 246 HG21 ILE 34 1HG2 ILE 34 0.484 -2.759 -3.329 247 HG22 ILE 34 2HG2 ILE 34 2.064 -2.044 -3.109 248 HG23 ILE 34 3HG2 ILE 34 1.894 -3.390 -4.219 249 HD11 ILE 34 3HD1 ILE 34 -0.757 -4.406 -2.792 250 HD12 ILE 34 1HD1 ILE 34 -0.808 -6.147 -2.589 251 HD13 ILE 34 2HD1 ILE 34 -0.599 -5.095 -1.170 252 H ILE 35 H ILE 35 3.538 -2.805 0.185 253 HA ILE 35 HA ILE 35 4.287 -0.314 -0.985 254 HB ILE 35 HB ILE 35 3.623 -1.205 1.521 255 HG12 ILE 35 2HG1 ILE 35 2.817 0.785 0.290 256 HG13 ILE 35 3HG1 ILE 35 3.200 1.153 1.951 257 HG21 ILE 35 1HG2 ILE 35 5.882 -1.428 2.354 258 HG22 ILE 35 2HG2 ILE 35 6.315 0.190 1.785 259 HG23 ILE 35 3HG2 ILE 35 5.152 0.001 3.091 260 HD11 ILE 35 3HD1 ILE 35 3.984 2.895 0.433 261 HD12 ILE 35 1HD1 ILE 35 5.329 2.212 1.310 262 HD13 ILE 35 2HD1 ILE 35 5.009 1.775 -0.407 263 H SER 36 H SER 36 6.334 -2.966 -0.073 264 HA SER 36 HA SER 36 8.800 -1.541 -0.453 265 HB2 SER 36 2HB SER 36 8.545 -3.859 0.556 266 HB3 SER 36 3HB SER 36 8.367 -4.476 -1.100 267 HG SER 36 HG SER 36 10.559 -4.499 -0.287 268 H GLU 37 H GLU 37 6.582 -3.239 -2.731 269 HA GLU 37 HA GLU 37 8.180 -2.719 -5.093 270 HB2 GLU 37 2HB GLU 37 5.175 -3.144 -5.041 271 HB3 GLU 37 3HB GLU 37 6.258 -3.281 -6.407 272 HG2 GLU 37 2HG GLU 37 5.922 -5.169 -4.086 273 HG3 GLU 37 3HG GLU 37 5.680 -5.473 -5.784 274 H ILE 38 H ILE 38 5.368 -0.926 -3.648 275 HA ILE 38 HA ILE 38 5.185 1.053 -5.663 276 HB ILE 38 HB ILE 38 4.458 0.963 -2.711 277 HG12 ILE 38 2HG1 ILE 38 2.715 0.806 -5.226 278 HG13 ILE 38 3HG1 ILE 38 3.226 -0.585 -4.293 279 HG21 ILE 38 1HG2 ILE 38 3.208 2.959 -2.911 280 HG22 ILE 38 2HG2 ILE 38 4.778 3.302 -3.621 281 HG23 ILE 38 3HG2 ILE 38 3.384 2.988 -4.678 282 HD11 ILE 38 3HD1 ILE 38 0.953 -0.002 -3.660 283 HD12 ILE 38 1HD1 ILE 38 2.019 0.360 -2.283 284 HD13 ILE 38 2HD1 ILE 38 1.400 1.669 -3.315 285 H GLN 39 H GLN 39 6.922 1.205 -2.504 286 HA GLN 39 HA GLN 39 8.175 3.741 -2.981 287 HB2 GLN 39 2HB GLN 39 8.886 1.367 -1.225 288 HB3 GLN 39 3HB GLN 39 9.865 2.836 -1.326 289 HG2 GLN 39 2HG GLN 39 7.853 4.182 -0.581 290 HG3 GLN 39 3HG GLN 39 6.995 2.676 -0.295 291 HE21 GLN 39 1HE2 GLN 39 7.992 1.100 1.260 292 HE22 GLN 39 2HE2 GLN 39 8.965 1.769 2.567 293 H ASN 40 H ASN 40 9.088 0.433 -3.930 294 HA ASN 40 HA ASN 40 11.622 1.124 -5.137 295 HB2 ASN 40 2HB ASN 40 11.557 -1.130 -5.066 296 HB3 ASN 40 3HB ASN 40 9.817 -1.205 -5.187 297 HD21 ASN 40 1HD2 ASN 40 8.767 -1.257 -7.202 298 HD22 ASN 40 2HD2 ASN 40 9.681 -1.714 -8.647 299 H GLN 41 H GLN 41 8.259 1.390 -6.482 300 HA GLN 41 HA GLN 41 9.202 2.128 -9.121 301 HB2 GLN 41 2HB GLN 41 6.535 2.692 -7.748 302 HB3 GLN 41 3HB GLN 41 6.918 3.025 -9.439 303 HG2 GLN 41 2HG GLN 41 7.442 0.587 -9.758 304 HG3 GLN 41 3HG GLN 41 6.870 0.279 -8.132 305 HE21 GLN 41 1HE2 GLN 41 5.564 -1.174 -9.916 306 HE22 GLN 41 2HE2 GLN 41 3.982 -0.488 -10.260 307 H LEU 42 H LEU 42 8.419 4.030 -6.164 308 HA LEU 42 HA LEU 42 9.094 6.539 -7.489 309 HB2 LEU 42 2HB LEU 42 7.671 6.300 -5.541 310 HB3 LEU 42 3HB LEU 42 9.035 5.959 -4.503 311 HG LEU 42 HG LEU 42 9.079 8.509 -6.172 312 HD11 LEU 42 1HD1 LEU 42 6.876 8.646 -5.270 313 HD12 LEU 42 2HD1 LEU 42 7.895 9.676 -4.265 314 HD13 LEU 42 3HD1 LEU 42 7.423 8.070 -3.672 315 HD21 LEU 42 3HD2 LEU 42 10.024 7.761 -3.370 316 HD22 LEU 42 1HD2 LEU 42 10.177 9.385 -4.081 317 HD23 LEU 42 2HD2 LEU 42 11.052 8.029 -4.777 318 H GLN 43 H GLN 43 11.069 4.117 -5.927 319 HA GLN 43 HA GLN 43 13.504 5.859 -5.872 320 HB2 GLN 43 2HB GLN 43 12.961 2.972 -5.112 321 HB3 GLN 43 3HB GLN 43 14.590 3.652 -5.151 322 HG2 GLN 43 2HG GLN 43 14.018 5.336 -3.494 323 HG3 GLN 43 3HG GLN 43 12.326 4.835 -3.494 324 HE21 GLN 43 1HE2 GLN 43 15.623 3.367 -2.964 325 HE22 GLN 43 2HE2 GLN 43 15.071 2.369 -1.628 326 H ASN 44 H ASN 44 12.012 3.682 -8.100 327 HA ASN 44 HA ASN 44 12.581 2.612 -9.969 328 HB2 ASN 44 2HB ASN 44 13.174 5.026 -10.643 329 HB3 ASN 44 3HB ASN 44 14.860 4.551 -10.456 330 HD21 ASN 44 1HD2 ASN 44 15.256 2.255 -11.663 331 HD22 ASN 44 2HD2 ASN 44 14.616 2.236 -13.312 332 H LEU 45 H LEU 45 13.271 1.425 -7.727 333 HA LEU 45 HA LEU 45 16.099 1.037 -7.336 334 HB2 LEU 45 2HB LEU 45 14.454 1.105 -5.515 335 HB3 LEU 45 3HB LEU 45 13.689 -0.358 -6.124 336 HG LEU 45 HG LEU 45 15.750 -1.655 -5.627 337 HD11 LEU 45 1HD1 LEU 45 17.463 0.112 -5.771 338 HD12 LEU 45 2HD1 LEU 45 17.485 -0.628 -4.169 339 HD13 LEU 45 3HD1 LEU 45 16.726 0.964 -4.393 340 HD21 LEU 45 3HD2 LEU 45 15.501 -1.598 -3.181 341 HD22 LEU 45 1HD2 LEU 45 13.927 -1.500 -3.984 342 HD23 LEU 45 2HD2 LEU 45 14.658 -0.036 -3.290 343 H LYS 46 H LYS 46 13.583 -1.123 -8.665 344 HA LYS 46 HA LYS 46 15.681 -3.066 -9.562 345 HB2 LYS 46 2HB LYS 46 12.704 -3.494 -9.111 346 HB3 LYS 46 3HB LYS 46 13.852 -4.717 -9.620 347 HG2 LYS 46 2HG LYS 46 13.775 -3.291 -6.922 348 HG3 LYS 46 3HG LYS 46 13.324 -4.956 -7.250 349 HD2 LYS 46 2HD LYS 46 16.139 -3.795 -7.413 350 HD3 LYS 46 3HD LYS 46 15.492 -4.838 -6.145 351 HE2 LYS 46 2HE LYS 46 15.138 -6.653 -7.815 352 HE3 LYS 46 3HE LYS 46 15.818 -5.618 -9.078 353 HZ1 LYS 46 3HZ LYS 46 17.288 -6.549 -6.669 354 HZ2 LYS 46 1HZ LYS 46 17.915 -5.588 -7.834 355 HZ3 LYS 46 2HZ LYS 46 17.491 -7.125 -8.180 356 H1 MET 1 1H MET 1 -2.339 -21.696 -4.624 357 H2 MET 1 2H MET 1 -3.793 -21.826 -5.372 358 H3 MET 1 3H MET 1 -3.391 -22.862 -4.176 359 HA MET 1 HA MET 1 -3.395 -21.109 -2.541 360 HB2 MET 1 2HB MET 1 -4.218 -19.369 -4.910 361 HB3 MET 1 3HB MET 1 -4.405 -18.894 -3.228 362 HG2 MET 1 2HG MET 1 -1.784 -19.453 -4.653 363 HG3 MET 1 3HG MET 1 -2.410 -17.895 -4.129 364 HE1 MET 1 3HE MET 1 0.541 -18.771 -3.506 365 HE2 MET 1 1HE MET 1 -0.166 -17.241 -2.935 366 HE3 MET 1 2HE MET 1 0.694 -18.300 -1.799 367 H ASN 2 H ASN 2 -5.245 -20.836 -1.278 368 HA ASN 2 HA ASN 2 -7.915 -21.261 -2.436 369 HB2 ASN 2 2HB ASN 2 -6.897 -23.551 -1.874 370 HB3 ASN 2 3HB ASN 2 -6.874 -23.045 -0.184 371 HD21 ASN 2 1HD2 ASN 2 -8.236 -25.115 -0.111 372 HD22 ASN 2 2HD2 ASN 2 -9.964 -24.906 -0.355 373 H CYS 3 H CYS 3 -9.614 -20.691 -0.930 374 HA CYS 3 HA CYS 3 -10.628 -19.088 0.326 375 HB2 CYS 3 2HB CYS 3 -8.419 -19.784 2.305 376 HB3 CYS 3 3HB CYS 3 -9.906 -18.913 2.699 377 HG CYS 3 HG CYS 3 -9.678 -21.920 1.320 378 H MET 4 H MET 4 -9.905 -17.016 1.985 379 HA MET 4 HA MET 4 -8.542 -15.140 0.163 380 HB2 MET 4 2HB MET 4 -10.034 -14.800 2.765 381 HB3 MET 4 3HB MET 4 -8.947 -13.559 2.133 382 HG2 MET 4 2HG MET 4 -10.150 -13.637 -0.054 383 HG3 MET 4 3HG MET 4 -11.276 -14.815 0.626 384 HE1 MET 4 3HE MET 4 -13.420 -11.551 0.111 385 HE2 MET 4 1HE MET 4 -12.056 -12.085 -0.895 386 HE3 MET 4 2HE MET 4 -13.241 -13.271 -0.300 387 H THR 5 H THR 5 -6.640 -16.017 0.010 388 HA THR 5 HA THR 5 -4.713 -15.866 2.296 389 HB THR 5 HB THR 5 -5.023 -18.164 1.473 390 HG1 THR 5 HG1 THR 5 -2.855 -18.559 1.248 391 HG21 THR 5 3HG2 THR 5 -5.498 -17.693 -0.952 392 HG22 THR 5 1HG2 THR 5 -4.175 -18.843 -0.719 393 HG23 THR 5 2HG2 THR 5 -3.815 -17.161 -1.161 394 H CYS 6 H CYS 6 -2.673 -15.098 1.952 395 HA CYS 6 HA CYS 6 -2.497 -12.893 0.106 396 HB2 CYS 6 2HB CYS 6 -1.282 -12.963 2.297 397 HB3 CYS 6 3HB CYS 6 -0.276 -14.249 1.646 398 HG CYS 6 HG CYS 6 1.172 -12.210 1.532 399 H GLN 7 H GLN 7 -2.199 -12.915 -2.052 400 HA GLN 7 HA GLN 7 -1.138 -15.221 -3.402 401 HB2 GLN 7 2HB GLN 7 -2.744 -13.699 -4.392 402 HB3 GLN 7 3HB GLN 7 -1.574 -12.375 -4.359 403 HG2 GLN 7 2HG GLN 7 -1.756 -13.272 -6.618 404 HG3 GLN 7 3HG GLN 7 -0.151 -13.570 -6.004 405 HE21 GLN 7 1HE2 GLN 7 0.439 -15.808 -5.450 406 HE22 GLN 7 2HE2 GLN 7 -0.497 -17.135 -6.147 407 H VAL 8 H VAL 8 0.515 -12.521 -1.945 408 HA VAL 8 HA VAL 8 3.006 -12.942 -3.506 409 HB VAL 8 HB VAL 8 2.222 -10.817 -1.487 410 HG11 VAL 8 1HG1 VAL 8 4.665 -10.972 -3.297 411 HG12 VAL 8 2HG1 VAL 8 4.132 -9.517 -2.427 412 HG13 VAL 8 3HG1 VAL 8 4.649 -10.934 -1.516 413 HG21 VAL 8 3HG2 VAL 8 2.382 -10.784 -4.538 414 HG22 VAL 8 1HG2 VAL 8 0.903 -10.644 -3.563 415 HG23 VAL 8 2HG2 VAL 8 2.106 -9.355 -3.524 416 H THR 9 H THR 9 1.755 -13.847 -0.460 417 HA THR 9 HA THR 9 4.451 -14.806 0.466 418 HB THR 9 HB THR 9 4.065 -14.204 2.726 419 HG1 THR 9 HG1 THR 9 2.177 -13.087 3.318 420 HG21 THR 9 3HG2 THR 9 4.890 -12.334 1.262 421 HG22 THR 9 1HG2 THR 9 3.994 -11.781 2.686 422 HG23 THR 9 2HG2 THR 9 3.211 -11.771 1.095 423 H GLY 10 H GLY 10 0.973 -15.252 0.596 424 HA2 GLY 10 2HA GLY 10 -0.100 -17.421 0.424 425 HA3 GLY 10 3HA GLY 10 1.342 -18.193 1.071 426 H GLU 11 H GLU 11 0.739 -15.444 2.968 427 HA GLU 11 HA GLU 11 -0.494 -17.020 5.108 428 HB2 GLU 11 2HB GLU 11 0.597 -14.220 4.850 429 HB3 GLU 11 3HB GLU 11 -0.310 -14.706 6.286 430 HG2 GLU 11 2HG GLU 11 2.109 -16.205 5.234 431 HG3 GLU 11 3HG GLU 11 2.200 -14.924 6.446 432 H VAL 12 H VAL 12 -2.329 -16.683 6.092 433 HA VAL 12 HA VAL 12 -4.562 -15.243 4.662 434 HB VAL 12 HB VAL 12 -4.430 -17.805 6.172 435 HG11 VAL 12 1HG1 VAL 12 -6.943 -17.988 6.042 436 HG12 VAL 12 2HG1 VAL 12 -6.426 -16.711 7.139 437 HG13 VAL 12 3HG1 VAL 12 -7.003 -16.295 5.508 438 HG21 VAL 12 3HG2 VAL 12 -4.099 -17.918 3.755 439 HG22 VAL 12 1HG2 VAL 12 -5.448 -18.885 4.358 440 HG23 VAL 12 2HG2 VAL 12 -5.784 -17.355 3.547 441 H SER 13 H SER 13 -5.321 -13.470 5.778 442 HA SER 13 HA SER 13 -5.484 -13.640 8.748 443 HB2 SER 13 2HB SER 13 -4.784 -11.140 7.166 444 HB3 SER 13 3HB SER 13 -4.906 -11.297 8.926 445 HG SER 13 HG SER 13 -3.121 -12.807 8.781 446 H ASP 14 H ASP 14 -7.539 -13.329 9.411 447 HA ASP 14 HA ASP 14 -9.638 -13.283 7.555 448 HB2 ASP 14 2HB ASP 14 -9.892 -12.624 10.501 449 HB3 ASP 14 3HB ASP 14 -11.115 -13.332 9.452 450 H ASP 15 H ASP 15 -8.049 -10.549 8.905 451 HA ASP 15 HA ASP 15 -10.149 -8.596 8.424 452 HB2 ASP 15 2HB ASP 15 -7.207 -8.075 8.810 453 HB3 ASP 15 3HB ASP 15 -8.565 -7.039 9.232 454 H ASN 16 H ASN 16 -8.128 -10.272 6.378 455 HA ASN 16 HA ASN 16 -7.325 -10.079 4.246 456 HB2 ASN 16 2HB ASN 16 -10.123 -8.949 3.906 457 HB3 ASN 16 3HB ASN 16 -9.202 -9.893 2.736 458 HD21 ASN 16 1HD2 ASN 16 -8.366 -12.056 4.619 459 HD22 ASN 16 2HD2 ASN 16 -9.867 -12.906 4.900 460 H LEU 17 H LEU 17 -5.583 -8.366 4.380 461 HA LEU 17 HA LEU 17 -6.230 -5.712 3.447 462 HB2 LEU 17 2HB LEU 17 -3.524 -7.125 3.418 463 HB3 LEU 17 3HB LEU 17 -3.826 -5.402 3.304 464 HG LEU 17 HG LEU 17 -4.350 -7.160 5.722 465 HD11 LEU 17 1HD1 LEU 17 -2.025 -6.803 5.372 466 HD12 LEU 17 2HD1 LEU 17 -2.531 -5.832 6.764 467 HD13 LEU 17 3HD1 LEU 17 -2.236 -5.092 5.185 468 HD21 LEU 17 3HD2 LEU 17 -5.955 -5.537 6.065 469 HD22 LEU 17 1HD2 LEU 17 -5.089 -4.311 5.133 470 HD23 LEU 17 2HD2 LEU 17 -4.540 -4.725 6.758 471 H LYS 18 H LYS 18 -5.602 -4.858 1.359 472 HA LYS 18 HA LYS 18 -5.715 -6.872 -0.830 473 HB2 LYS 18 2HB LYS 18 -7.688 -4.579 -0.647 474 HB3 LYS 18 3HB LYS 18 -7.617 -5.882 -1.858 475 HG2 LYS 18 2HG LYS 18 -8.105 -7.550 -0.097 476 HG3 LYS 18 3HG LYS 18 -8.253 -6.217 1.072 477 HD2 LYS 18 2HD LYS 18 -10.117 -5.260 -0.311 478 HD3 LYS 18 3HD LYS 18 -10.007 -6.687 -1.356 479 HE2 LYS 18 2HE LYS 18 -11.779 -7.080 0.213 480 HE3 LYS 18 3HE LYS 18 -10.432 -8.147 0.631 481 HZ1 LYS 18 3HZ LYS 18 -11.003 -5.566 2.000 482 HZ2 LYS 18 1HZ LYS 18 -9.850 -6.653 2.441 483 HZ3 LYS 18 2HZ LYS 18 -11.437 -7.026 2.579 484 H LEU 19 H LEU 19 -5.198 -6.259 -2.886 485 HA LEU 19 HA LEU 19 -2.932 -4.582 -2.962 486 HB2 LEU 19 2HB LEU 19 -3.401 -6.778 -4.118 487 HB3 LEU 19 3HB LEU 19 -4.348 -5.923 -5.299 488 HG LEU 19 HG LEU 19 -1.516 -4.938 -4.899 489 HD11 LEU 19 1HD1 LEU 19 -1.168 -7.338 -4.788 490 HD12 LEU 19 2HD1 LEU 19 -0.628 -6.732 -6.356 491 HD13 LEU 19 3HD1 LEU 19 -2.181 -7.596 -6.226 492 HD21 LEU 19 3HD2 LEU 19 -3.067 -5.649 -7.433 493 HD22 LEU 19 1HD2 LEU 19 -1.579 -4.692 -7.310 494 HD23 LEU 19 2HD2 LEU 19 -3.104 -4.040 -6.698 495 H ALA 20 H ALA 20 -2.413 -3.030 -4.769 496 HA ALA 20 HA ALA 20 -4.012 -0.751 -3.930 497 HB1 ALA 20 3HB ALA 20 -2.177 0.596 -4.866 498 HB2 ALA 20 1HB ALA 20 -1.573 -0.673 -3.783 499 HB3 ALA 20 2HB ALA 20 -1.441 -0.871 -5.547 500 H GLY 21 H GLY 21 -5.332 0.596 -5.155 501 HA2 GLY 21 2HA GLY 21 -6.074 -0.321 -7.873 502 HA3 GLY 21 3HA GLY 21 -7.006 0.695 -6.787 503 H GLY 22 H GLY 22 -5.463 2.731 -6.125 504 HA2 GLY 22 2HA GLY 22 -3.813 4.268 -6.978 505 HA3 GLY 22 3HA GLY 22 -4.435 4.071 -8.613 506 H LYS 23 H LYS 23 -5.814 4.753 -5.382 507 HA LYS 23 HA LYS 23 -8.064 6.128 -6.624 508 HB2 LYS 23 2HB LYS 23 -8.284 4.380 -4.926 509 HB3 LYS 23 3HB LYS 23 -7.498 5.407 -3.721 510 HG2 LYS 23 2HG LYS 23 -9.313 6.961 -3.725 511 HG3 LYS 23 3HG LYS 23 -9.992 6.271 -5.212 512 HD2 LYS 23 2HD LYS 23 -11.355 5.616 -3.316 513 HD3 LYS 23 3HD LYS 23 -10.576 4.197 -4.028 514 HE2 LYS 23 2HE LYS 23 -8.844 4.262 -2.240 515 HE3 LYS 23 3HE LYS 23 -9.631 5.682 -1.532 516 HZ1 LYS 23 3HZ LYS 23 -11.608 4.299 -1.154 517 HZ2 LYS 23 1HZ LYS 23 -10.313 3.636 -0.416 518 HZ3 LYS 23 2HZ LYS 23 -10.869 2.994 -1.808 519 H LEU 24 H LEU 24 -5.331 7.257 -4.754 520 HA LEU 24 HA LEU 24 -5.807 9.989 -5.594 521 HB2 LEU 24 2HB LEU 24 -7.091 9.728 -3.383 522 HB3 LEU 24 3HB LEU 24 -5.537 9.423 -2.603 523 HG LEU 24 HG LEU 24 -4.767 11.695 -3.179 524 HD11 LEU 24 1HD1 LEU 24 -7.537 12.051 -4.408 525 HD12 LEU 24 2HD1 LEU 24 -5.988 12.149 -5.274 526 HD13 LEU 24 3HD1 LEU 24 -6.392 13.366 -4.065 527 HD21 LEU 24 3HD2 LEU 24 -7.520 11.644 -1.888 528 HD22 LEU 24 1HD2 LEU 24 -6.306 12.926 -1.718 529 HD23 LEU 24 2HD2 LEU 24 -5.973 11.308 -1.078 530 H VAL 25 H VAL 25 -3.806 11.347 -5.182 531 HA VAL 25 HA VAL 25 -1.431 9.633 -5.442 532 HB VAL 25 HB VAL 25 -1.852 12.597 -5.929 533 HG11 VAL 25 1HG1 VAL 25 0.458 12.501 -6.953 534 HG12 VAL 25 2HG1 VAL 25 0.454 12.403 -5.201 535 HG13 VAL 25 3HG1 VAL 25 0.690 10.929 -6.167 536 HG21 VAL 25 3HG2 VAL 25 -1.233 10.243 -7.772 537 HG22 VAL 25 1HG2 VAL 25 -2.811 11.053 -7.629 538 HG23 VAL 25 2HG2 VAL 25 -1.419 11.930 -8.274 539 H LEU 26 H LEU 26 0.070 9.397 -4.187 540 HA LEU 26 HA LEU 26 0.674 11.078 -1.812 541 HB2 LEU 26 2HB LEU 26 0.327 8.074 -1.863 542 HB3 LEU 26 3HB LEU 26 1.303 8.912 -0.669 543 HG LEU 26 HG LEU 26 -0.786 10.395 -0.221 544 HD11 LEU 26 1HD1 LEU 26 -2.107 7.897 -1.425 545 HD12 LEU 26 2HD1 LEU 26 -2.321 9.529 -2.034 546 HD13 LEU 26 3HD1 LEU 26 -2.954 9.144 -0.466 547 HD21 LEU 26 3HD2 LEU 26 -0.331 7.582 0.652 548 HD22 LEU 26 1HD2 LEU 26 -1.751 8.457 1.261 549 HD23 LEU 26 2HD2 LEU 26 -0.155 9.111 1.543 550 H SER 27 H SER 27 3.000 10.898 -1.048 551 HA SER 27 HA SER 27 4.856 10.149 -3.260 552 HB2 SER 27 2HB SER 27 4.863 12.487 -2.370 553 HB3 SER 27 3HB SER 27 5.324 11.838 -0.796 554 HG SER 27 HG SER 27 7.145 12.475 -2.155 555 H LYS 28 H LYS 28 7.060 9.631 -1.847 556 HA LYS 28 HA LYS 28 6.929 6.911 -1.113 557 HB2 LYS 28 2HB LYS 28 8.924 8.545 -1.594 558 HB3 LYS 28 3HB LYS 28 8.917 8.841 0.139 559 HG2 LYS 28 2HG LYS 28 9.173 6.374 0.525 560 HG3 LYS 28 3HG LYS 28 9.199 6.133 -1.237 561 HD2 LYS 28 2HD LYS 28 11.187 7.751 -1.300 562 HD3 LYS 28 3HD LYS 28 11.253 7.628 0.460 563 HE2 LYS 28 2HE LYS 28 11.338 5.244 -1.449 564 HE3 LYS 28 3HE LYS 28 12.789 6.083 -0.890 565 HZ1 LYS 28 3HZ LYS 28 12.244 5.466 1.380 566 HZ2 LYS 28 1HZ LYS 28 12.290 4.120 0.450 567 HZ3 LYS 28 2HZ LYS 28 10.851 4.733 0.924 568 H GLU 29 H GLU 29 6.721 9.745 0.952 569 HA GLU 29 HA GLU 29 6.671 8.167 3.403 570 HB2 GLU 29 2HB GLU 29 6.286 11.121 2.912 571 HB3 GLU 29 3HB GLU 29 6.284 10.368 4.515 572 HG2 GLU 29 2HG GLU 29 8.585 9.492 4.082 573 HG3 GLU 29 3HG GLU 29 8.602 10.338 2.533 574 H GLY 30 H GLY 30 4.237 9.814 1.332 575 HA2 GLY 30 2HA GLY 30 1.984 9.392 3.059 576 HA3 GLY 30 3HA GLY 30 2.012 9.664 1.308 577 H ALA 31 H ALA 31 3.383 7.419 0.331 578 HA ALA 31 HA ALA 31 1.382 5.410 0.440 579 HB1 ALA 31 3HB ALA 31 2.917 5.801 -1.499 580 HB2 ALA 31 1HB ALA 31 4.258 5.137 -0.541 581 HB3 ALA 31 2HB ALA 31 2.899 4.106 -1.007 582 H GLU 32 H GLU 32 4.606 5.632 2.074 583 HA GLU 32 HA GLU 32 4.318 3.035 3.280 584 HB2 GLU 32 2HB GLU 32 6.138 3.478 4.673 585 HB3 GLU 32 3HB GLU 32 6.476 4.162 3.073 586 HG2 GLU 32 2HG GLU 32 5.921 6.351 3.844 587 HG3 GLU 32 3HG GLU 32 5.461 5.799 5.446 588 H GLN 33 H GLN 33 3.100 6.302 4.184 589 HA GLN 33 HA GLN 33 2.191 5.470 6.823 590 HB2 GLN 33 2HB GLN 33 1.922 7.868 5.080 591 HB3 GLN 33 3HB GLN 33 0.681 7.633 6.323 592 HG2 GLN 33 2HG GLN 33 2.304 7.558 8.090 593 HG3 GLN 33 3HG GLN 33 3.651 7.445 6.947 594 HE21 GLN 33 1HE2 GLN 33 3.968 9.318 5.474 595 HE22 GLN 33 2HE2 GLN 33 3.727 10.920 6.196 596 H ILE 34 H ILE 34 0.709 5.331 3.554 597 HA ILE 34 HA ILE 34 -1.830 4.325 4.553 598 HB ILE 34 HB ILE 34 -0.509 3.467 1.967 599 HG12 ILE 34 2HG1 ILE 34 -2.570 5.678 2.386 600 HG13 ILE 34 3HG1 ILE 34 -0.845 5.996 2.252 601 HG21 ILE 34 1HG2 ILE 34 -3.395 3.444 3.014 602 HG22 ILE 34 2HG2 ILE 34 -2.894 2.881 1.398 603 HG23 ILE 34 3HG2 ILE 34 -2.365 2.034 2.835 604 HD11 ILE 34 3HD1 ILE 34 -2.088 6.236 0.080 605 HD12 ILE 34 1HD1 ILE 34 -0.746 5.078 0.009 606 HD13 ILE 34 2HD1 ILE 34 -2.419 4.512 0.099 607 H ILE 35 H ILE 35 1.321 2.644 3.808 608 HA ILE 35 HA ILE 35 0.304 0.132 4.576 609 HB ILE 35 HB ILE 35 2.931 1.094 4.029 610 HG12 ILE 35 2HG1 ILE 35 1.760 -0.695 2.865 611 HG13 ILE 35 3HG1 ILE 35 3.287 -1.292 3.543 612 HG21 ILE 35 1HG2 ILE 35 3.006 -0.752 6.451 613 HG22 ILE 35 2HG2 ILE 35 4.368 -0.320 5.407 614 HG23 ILE 35 3HG2 ILE 35 3.593 0.926 6.377 615 HD11 ILE 35 3HD1 ILE 35 1.279 -2.823 3.651 616 HD12 ILE 35 1HD1 ILE 35 2.294 -2.659 5.086 617 HD13 ILE 35 2HD1 ILE 35 0.698 -1.860 4.980 618 H SER 36 H SER 36 1.488 2.681 6.651 619 HA SER 36 HA SER 36 1.278 1.184 9.116 620 HB2 SER 36 2HB SER 36 2.379 3.450 8.846 621 HB3 SER 36 3HB SER 36 0.757 4.169 8.799 622 HG SER 36 HG SER 36 1.678 4.138 10.922 623 H GLU 37 H GLU 37 -1.181 3.159 7.318 624 HA GLU 37 HA GLU 37 -3.327 2.605 9.181 625 HB2 GLU 37 2HB GLU 37 -3.385 3.295 6.214 626 HB3 GLU 37 3HB GLU 37 -4.810 3.198 7.237 627 HG2 GLU 37 2HG GLU 37 -2.491 5.119 7.716 628 HG3 GLU 37 3HG GLU 37 -3.959 5.516 6.840 629 H ILE 38 H ILE 38 -2.339 0.907 6.171 630 HA ILE 38 HA ILE 38 -4.420 -1.001 6.146 631 HB ILE 38 HB ILE 38 -1.695 -0.768 4.874 632 HG12 ILE 38 2HG1 ILE 38 -4.587 -0.827 3.842 633 HG13 ILE 38 3HG1 ILE 38 -3.637 0.627 4.095 634 HG21 ILE 38 1HG2 ILE 38 -2.167 -2.696 3.464 635 HG22 ILE 38 2HG2 ILE 38 -1.794 -3.066 5.135 636 HG23 ILE 38 3HG2 ILE 38 -3.488 -3.132 4.539 637 HD11 ILE 38 3HD1 ILE 38 -2.004 -0.274 2.327 638 HD12 ILE 38 1HD1 ILE 38 -3.233 -1.508 1.962 639 HD13 ILE 38 2HD1 ILE 38 -3.621 0.198 1.752 640 H GLN 39 H GLN 39 -1.060 -1.433 7.318 641 HA GLN 39 HA GLN 39 -1.528 -4.058 8.391 642 HB2 GLN 39 2HB GLN 39 0.591 -1.946 8.972 643 HB3 GLN 39 3HB GLN 39 0.475 -3.502 9.782 644 HG2 GLN 39 2HG GLN 39 0.526 -4.552 7.384 645 HG3 GLN 39 3HG GLN 39 1.128 -2.992 6.866 646 HE21 GLN 39 1HE2 GLN 39 2.502 -5.614 6.859 647 HE22 GLN 39 2HE2 GLN 39 3.977 -5.350 7.755 648 H ASN 40 H ASN 40 -1.957 -0.803 9.774 649 HA ASN 40 HA ASN 40 -2.584 -1.735 12.446 650 HB2 ASN 40 2HB ASN 40 -1.939 0.587 11.912 651 HB3 ASN 40 3HB ASN 40 -3.461 0.803 11.027 652 HD21 ASN 40 1HD2 ASN 40 -1.965 0.444 14.227 653 HD22 ASN 40 2HD2 ASN 40 -3.395 0.936 15.118 654 H GLN 41 H GLN 41 -4.684 -1.414 9.493 655 HA GLN 41 HA GLN 41 -7.036 -1.971 11.161 656 HB2 GLN 41 2HB GLN 41 -8.384 -1.929 9.222 657 HB3 GLN 41 3HB GLN 41 -7.365 -0.492 9.323 658 HG2 GLN 41 2HG GLN 41 -5.899 -1.343 7.614 659 HG3 GLN 41 3HG GLN 41 -6.753 -2.890 7.544 660 HE21 GLN 41 1HE2 GLN 41 -6.763 -2.171 5.147 661 HE22 GLN 41 2HE2 GLN 41 -8.126 -1.174 4.661 662 H LEU 42 H LEU 42 -4.763 -3.951 9.281 663 HA LEU 42 HA LEU 42 -6.238 -6.378 9.893 664 HB2 LEU 42 2HB LEU 42 -4.483 -6.263 8.247 665 HB3 LEU 42 3HB LEU 42 -3.253 -6.042 9.465 666 HG LEU 42 HG LEU 42 -5.042 -8.533 9.470 667 HD11 LEU 42 1HD1 LEU 42 -3.025 -9.585 8.243 668 HD12 LEU 42 2HD1 LEU 42 -2.587 -7.927 7.815 669 HD13 LEU 42 3HD1 LEU 42 -4.149 -8.615 7.295 670 HD21 LEU 42 3HD2 LEU 42 -3.634 -8.251 11.483 671 HD22 LEU 42 1HD2 LEU 42 -2.209 -7.973 10.466 672 HD23 LEU 42 2HD2 LEU 42 -3.005 -9.560 10.503 673 H GLN 43 H GLN 43 -3.690 -4.656 11.710 674 HA GLN 43 HA GLN 43 -3.571 -6.531 13.847 675 HB2 GLN 43 2HB GLN 43 -1.851 -4.855 13.184 676 HB3 GLN 43 3HB GLN 43 -2.845 -3.574 13.894 677 HG2 GLN 43 2HG GLN 43 -2.592 -4.569 16.119 678 HG3 GLN 43 3HG GLN 43 -1.786 -5.988 15.436 679 HE21 GLN 43 1HE2 GLN 43 -1.296 -2.700 16.561 680 HE22 GLN 43 2HE2 GLN 43 0.417 -2.650 16.166 681 H ASN 44 H ASN 44 -5.644 -3.691 13.450 682 HA ASN 44 HA ASN 44 -7.399 -4.608 15.663 683 HB2 ASN 44 2HB ASN 44 -6.022 -2.942 16.736 684 HB3 ASN 44 3HB ASN 44 -6.107 -1.866 15.342 685 HD21 ASN 44 1HD2 ASN 44 -8.356 -3.470 17.704 686 HD22 ASN 44 2HD2 ASN 44 -9.420 -2.076 17.780 687 H LEU 45 H LEU 45 -9.250 -5.051 14.600 688 HA LEU 45 HA LEU 45 -9.856 -4.165 12.009 689 HB2 LEU 45 2HB LEU 45 -10.654 -6.253 13.088 690 HB3 LEU 45 3HB LEU 45 -11.710 -5.304 14.134 691 HG LEU 45 HG LEU 45 -12.997 -4.547 12.140 692 HD11 LEU 45 1HD1 LEU 45 -11.200 -6.481 10.607 693 HD12 LEU 45 2HD1 LEU 45 -11.274 -4.724 10.368 694 HD13 LEU 45 3HD1 LEU 45 -12.675 -5.719 9.973 695 HD21 LEU 45 3HD2 LEU 45 -13.686 -6.547 13.402 696 HD22 LEU 45 1HD2 LEU 45 -12.678 -7.567 12.350 697 HD23 LEU 45 2HD2 LEU 45 -14.081 -6.701 11.683 698 H LYS 46 H LYS 46 -11.248 -2.713 11.117 699 HA LYS 46 HA LYS 46 -12.157 -0.411 12.796 700 HB2 LYS 46 2HB LYS 46 -11.214 -0.474 9.903 701 HB3 LYS 46 3HB LYS 46 -11.776 0.952 10.765 702 HG2 LYS 46 2HG LYS 46 -9.290 -0.672 11.483 703 HG3 LYS 46 3HG LYS 46 -9.318 0.838 10.575 704 HD2 LYS 46 2HD LYS 46 -10.319 2.006 12.527 705 HD3 LYS 46 3HD LYS 46 -10.200 0.524 13.488 706 HE2 LYS 46 2HE LYS 46 -7.800 1.773 12.093 707 HE3 LYS 46 3HE LYS 46 -8.311 2.295 13.700 708 HZ1 LYS 46 3HZ LYS 46 -7.704 -0.554 13.122 709 HZ2 LYS 46 1HZ LYS 46 -7.883 0.150 14.577 710 HZ3 LYS 46 2HZ LYS 46 -6.571 0.515 13.647 Start of MODEL 7 1 H1 MET 1 1H MET 1 -8.212 21.369 -15.154 2 H2 MET 1 2H MET 1 -7.513 22.658 -14.420 3 H3 MET 1 3H MET 1 -8.384 21.590 -13.542 4 HA MET 1 HA MET 1 -6.814 19.842 -13.941 5 HB2 MET 1 2HB MET 1 -6.115 20.688 -16.185 6 HB3 MET 1 3HB MET 1 -5.187 21.971 -15.403 7 HG2 MET 1 2HG MET 1 -3.806 20.053 -16.131 8 HG3 MET 1 3HG MET 1 -3.687 20.344 -14.401 9 HE1 MET 1 3HE MET 1 -2.518 18.004 -14.072 10 HE2 MET 1 1HE MET 1 -3.183 16.467 -14.664 11 HE3 MET 1 2HE MET 1 -2.632 17.698 -15.820 12 H ASN 2 H ASN 2 -5.037 19.485 -12.505 13 HA ASN 2 HA ASN 2 -4.253 21.705 -10.697 14 HB2 ASN 2 2HB ASN 2 -4.793 20.311 -8.719 15 HB3 ASN 2 3HB ASN 2 -6.222 20.732 -9.647 16 HD21 ASN 2 1HD2 ASN 2 -4.006 18.027 -8.815 17 HD22 ASN 2 2HD2 ASN 2 -5.153 16.799 -9.328 18 H CYS 3 H CYS 3 -2.481 21.100 -9.225 19 HA CYS 3 HA CYS 3 -0.389 19.502 -10.482 20 HB2 CYS 3 2HB CYS 3 0.887 20.145 -8.436 21 HB3 CYS 3 3HB CYS 3 0.199 21.536 -9.289 22 HG CYS 3 HG CYS 3 0.076 21.941 -6.696 23 H MET 4 H MET 4 0.728 17.758 -9.369 24 HA MET 4 HA MET 4 -1.025 16.036 -7.653 25 HB2 MET 4 2HB MET 4 1.117 15.301 -9.660 26 HB3 MET 4 3HB MET 4 0.723 14.273 -8.302 27 HG2 MET 4 2HG MET 4 -0.568 13.512 -10.152 28 HG3 MET 4 3HG MET 4 -1.686 14.291 -9.034 29 HE1 MET 4 3HE MET 4 -3.393 14.965 -12.475 30 HE2 MET 4 1HE MET 4 -2.525 13.500 -11.961 31 HE3 MET 4 2HE MET 4 -3.592 14.352 -10.819 32 H THR 5 H THR 5 -0.551 16.114 -5.619 33 HA THR 5 HA THR 5 2.184 15.769 -4.622 34 HB THR 5 HB THR 5 1.696 18.179 -4.689 35 HG1 THR 5 HG1 THR 5 2.389 18.499 -2.571 36 HG21 THR 5 3HG2 THR 5 -0.451 17.612 -2.589 37 HG22 THR 5 1HG2 THR 5 -0.729 18.218 -4.239 38 HG23 THR 5 2HG2 THR 5 0.157 19.212 -3.077 39 H CYS 6 H CYS 6 2.209 14.917 -2.452 40 HA CYS 6 HA CYS 6 0.223 12.977 -1.909 41 HB2 CYS 6 2HB CYS 6 2.629 12.869 -1.222 42 HB3 CYS 6 3HB CYS 6 2.311 14.147 -0.062 43 HG CYS 6 HG CYS 6 2.316 12.094 1.370 44 H GLN 7 H GLN 7 -1.819 13.206 -1.125 45 HA GLN 7 HA GLN 7 -2.584 15.643 0.279 46 HB2 GLN 7 2HB GLN 7 -4.025 14.540 -1.269 47 HB3 GLN 7 3HB GLN 7 -4.083 13.071 -0.301 48 HG2 GLN 7 2HG GLN 7 -4.992 15.761 0.821 49 HG3 GLN 7 3HG GLN 7 -6.048 14.830 -0.220 50 HE21 GLN 7 1HE2 GLN 7 -7.043 15.364 2.240 51 HE22 GLN 7 2HE2 GLN 7 -7.011 13.903 3.219 52 H VAL 8 H VAL 8 -1.226 12.675 1.370 53 HA VAL 8 HA VAL 8 -2.201 12.945 4.154 54 HB VAL 8 HB VAL 8 -0.509 10.836 2.776 55 HG11 VAL 8 1HG1 VAL 8 0.024 10.759 5.140 56 HG12 VAL 8 2HG1 VAL 8 -1.702 10.810 5.574 57 HG13 VAL 8 3HG1 VAL 8 -1.016 9.398 4.737 58 HG21 VAL 8 3HG2 VAL 8 -3.441 10.888 3.626 59 HG22 VAL 8 1HG2 VAL 8 -2.826 10.830 1.961 60 HG23 VAL 8 2HG2 VAL 8 -2.592 9.449 3.034 61 H THR 9 H THR 9 0.587 13.797 2.358 62 HA THR 9 HA THR 9 2.088 14.532 4.857 63 HB THR 9 HB THR 9 4.184 13.813 4.032 64 HG1 THR 9 HG1 THR 9 4.448 12.882 2.047 65 HG21 THR 9 3HG2 THR 9 3.956 11.412 3.903 66 HG22 THR 9 1HG2 THR 9 2.260 11.535 3.404 67 HG23 THR 9 2HG2 THR 9 2.750 12.014 5.046 68 H GLY 10 H GLY 10 1.678 15.135 1.417 69 HA2 GLY 10 2HA GLY 10 1.485 17.389 0.493 70 HA3 GLY 10 3HA GLY 10 2.443 18.018 1.824 71 H GLU 11 H GLU 11 3.915 15.151 0.715 72 HA GLU 11 HA GLU 11 5.962 16.619 -0.807 73 HB2 GLU 11 2HB GLU 11 5.603 13.764 0.133 74 HB3 GLU 11 3HB GLU 11 6.905 14.205 -0.982 75 HG2 GLU 11 2HG GLU 11 6.462 15.654 1.632 76 HG3 GLU 11 3HG GLU 11 7.423 14.174 1.520 77 H VAL 12 H VAL 12 6.565 16.292 -2.852 78 HA VAL 12 HA VAL 12 4.600 15.033 -4.734 79 HB VAL 12 HB VAL 12 4.308 17.310 -5.080 80 HG11 VAL 12 1HG1 VAL 12 6.259 18.303 -3.993 81 HG12 VAL 12 2HG1 VAL 12 7.325 17.688 -5.278 82 HG13 VAL 12 3HG1 VAL 12 6.099 18.920 -5.637 83 HG21 VAL 12 3HG2 VAL 12 4.626 15.908 -7.155 84 HG22 VAL 12 1HG2 VAL 12 4.924 17.639 -7.374 85 HG23 VAL 12 2HG2 VAL 12 6.292 16.519 -7.251 86 H SER 13 H SER 13 5.303 13.501 -6.080 87 HA SER 13 HA SER 13 8.101 13.653 -7.058 88 HB2 SER 13 2HB SER 13 8.118 11.928 -5.289 89 HB3 SER 13 3HB SER 13 6.776 11.095 -6.101 90 HG SER 13 HG SER 13 9.456 11.442 -6.973 91 H ASP 14 H ASP 14 8.348 13.107 -9.186 92 HA ASP 14 HA ASP 14 6.073 13.196 -10.930 93 HB2 ASP 14 2HB ASP 14 8.348 14.079 -11.432 94 HB3 ASP 14 3HB ASP 14 8.964 12.426 -11.486 95 H ASP 15 H ASP 15 7.663 10.490 -9.385 96 HA ASP 15 HA ASP 15 6.573 8.473 -11.170 97 HB2 ASP 15 2HB ASP 15 7.813 8.187 -8.430 98 HB3 ASP 15 3HB ASP 15 7.555 6.914 -9.615 99 H ASN 16 H ASN 16 5.151 10.367 -8.788 100 HA ASN 16 HA ASN 16 3.167 10.249 -7.589 101 HB2 ASN 16 2HB ASN 16 2.564 9.428 -10.458 102 HB3 ASN 16 3HB ASN 16 1.330 9.925 -9.304 103 HD21 ASN 16 1HD2 ASN 16 3.851 11.139 -11.452 104 HD22 ASN 16 2HD2 ASN 16 3.449 12.814 -11.121 105 H LEU 17 H LEU 17 3.626 8.462 -6.024 106 HA LEU 17 HA LEU 17 2.447 5.886 -6.482 107 HB2 LEU 17 2HB LEU 17 2.984 7.213 -3.785 108 HB3 LEU 17 3HB LEU 17 2.842 5.503 -4.129 109 HG LEU 17 HG LEU 17 5.099 7.350 -4.974 110 HD11 LEU 17 1HD1 LEU 17 5.109 6.713 -2.606 111 HD12 LEU 17 2HD1 LEU 17 6.491 6.011 -3.475 112 HD13 LEU 17 3HD1 LEU 17 5.104 5.033 -3.040 113 HD21 LEU 17 3HD2 LEU 17 6.084 4.900 -5.520 114 HD22 LEU 17 1HD2 LEU 17 5.239 5.885 -6.731 115 HD23 LEU 17 2HD2 LEU 17 4.390 4.593 -5.885 116 H LYS 18 H LYS 18 0.512 5.073 -5.437 117 HA LYS 18 HA LYS 18 -1.576 7.147 -5.039 118 HB2 LYS 18 2HB LYS 18 -1.897 4.944 -7.097 119 HB3 LYS 18 3HB LYS 18 -3.046 6.228 -6.663 120 HG2 LYS 18 2HG LYS 18 -1.455 7.941 -7.473 121 HG3 LYS 18 3HG LYS 18 -0.394 6.631 -8.042 122 HD2 LYS 18 2HD LYS 18 -2.222 5.793 -9.499 123 HD3 LYS 18 3HD LYS 18 -3.247 7.149 -8.969 124 HE2 LYS 18 2HE LYS 18 -1.573 8.759 -9.839 125 HE3 LYS 18 3HE LYS 18 -0.529 7.421 -10.336 126 HZ1 LYS 18 3HZ LYS 18 -2.286 6.709 -11.873 127 HZ2 LYS 18 1HZ LYS 18 -1.856 8.247 -12.198 128 HZ3 LYS 18 2HZ LYS 18 -3.254 7.943 -11.412 129 H LEU 19 H LEU 19 -3.523 6.531 -4.128 130 HA LEU 19 HA LEU 19 -3.160 4.735 -1.971 131 HB2 LEU 19 2HB LEU 19 -4.335 6.966 -2.073 132 HB3 LEU 19 3HB LEU 19 -5.711 6.180 -2.791 133 HG LEU 19 HG LEU 19 -4.739 5.056 -0.157 134 HD11 LEU 19 1HD1 LEU 19 -6.140 7.747 -0.407 135 HD12 LEU 19 2HD1 LEU 19 -4.516 7.450 0.246 136 HD13 LEU 19 3HD1 LEU 19 -5.929 6.824 1.101 137 HD21 LEU 19 3HD2 LEU 19 -7.094 4.810 0.296 138 HD22 LEU 19 1HD2 LEU 19 -6.859 4.259 -1.369 139 HD23 LEU 19 2HD2 LEU 19 -7.539 5.862 -1.058 140 H ALA 20 H ALA 20 -4.851 3.180 -1.169 141 HA ALA 20 HA ALA 20 -4.471 0.972 -3.018 142 HB1 ALA 20 3HB ALA 20 -5.585 1.022 -0.190 143 HB2 ALA 20 1HB ALA 20 -5.143 -0.433 -1.111 144 HB3 ALA 20 2HB ALA 20 -3.891 0.739 -0.658 145 H GLY 21 H GLY 21 -5.993 -0.139 -4.236 146 HA2 GLY 21 2HA GLY 21 -8.720 0.993 -4.404 147 HA3 GLY 21 3HA GLY 21 -7.900 -0.030 -5.575 148 H GLY 22 H GLY 22 -7.151 -2.194 -4.344 149 HA2 GLY 22 2HA GLY 22 -7.697 -3.817 -2.690 150 HA3 GLY 22 3HA GLY 22 -9.409 -3.422 -2.805 151 H LYS 23 H LYS 23 -6.769 -4.388 -5.078 152 HA LYS 23 HA LYS 23 -8.703 -5.649 -6.881 153 HB2 LYS 23 2HB LYS 23 -5.662 -5.639 -7.034 154 HB3 LYS 23 3HB LYS 23 -6.772 -6.162 -8.298 155 HG2 LYS 23 2HG LYS 23 -7.725 -3.835 -8.369 156 HG3 LYS 23 3HG LYS 23 -6.469 -3.334 -7.213 157 HD2 LYS 23 2HD LYS 23 -4.713 -4.101 -8.804 158 HD3 LYS 23 3HD LYS 23 -5.973 -4.580 -9.960 159 HE2 LYS 23 2HE LYS 23 -6.771 -2.227 -10.052 160 HE3 LYS 23 3HE LYS 23 -5.509 -1.765 -8.898 161 HZ1 LYS 23 3HZ LYS 23 -4.829 -1.334 -11.203 162 HZ2 LYS 23 1HZ LYS 23 -4.993 -2.908 -11.594 163 HZ3 LYS 23 2HZ LYS 23 -3.842 -2.447 -10.527 164 H LEU 24 H LEU 24 -6.250 -6.923 -4.702 165 HA LEU 24 HA LEU 24 -7.296 -9.683 -4.929 166 HB2 LEU 24 2HB LEU 24 -5.389 -9.147 -6.637 167 HB3 LEU 24 3HB LEU 24 -4.333 -9.021 -5.228 168 HG LEU 24 HG LEU 24 -4.770 -11.394 -4.675 169 HD11 LEU 24 1HD1 LEU 24 -6.416 -11.372 -7.246 170 HD12 LEU 24 2HD1 LEU 24 -7.016 -11.748 -5.615 171 HD13 LEU 24 3HD1 LEU 24 -5.877 -12.838 -6.404 172 HD21 LEU 24 3HD2 LEU 24 -3.912 -10.837 -7.550 173 HD22 LEU 24 1HD2 LEU 24 -3.541 -12.314 -6.648 174 HD23 LEU 24 2HD2 LEU 24 -2.876 -10.764 -6.106 175 H VAL 25 H VAL 25 -6.489 -11.051 -3.110 176 HA VAL 25 HA VAL 25 -6.203 -9.388 -0.684 177 HB VAL 25 HB VAL 25 -6.861 -12.338 -1.033 178 HG11 VAL 25 1HG1 VAL 25 -6.616 -10.727 1.549 179 HG12 VAL 25 2HG1 VAL 25 -7.382 -12.319 1.407 180 HG13 VAL 25 3HG1 VAL 25 -5.663 -12.162 1.095 181 HG21 VAL 25 3HG2 VAL 25 -9.031 -11.599 -0.056 182 HG22 VAL 25 1HG2 VAL 25 -8.447 -9.919 -0.065 183 HG23 VAL 25 2HG2 VAL 25 -8.691 -10.795 -1.598 184 H LEU 26 H LEU 26 -4.710 -9.270 0.593 185 HA LEU 26 HA LEU 26 -2.250 -10.934 0.582 186 HB2 LEU 26 2HB LEU 26 -2.402 -7.920 0.341 187 HB3 LEU 26 3HB LEU 26 -1.009 -8.766 0.988 188 HG LEU 26 HG LEU 26 -1.156 -10.222 -1.208 189 HD11 LEU 26 1HD1 LEU 26 -3.226 -9.097 -2.180 190 HD12 LEU 26 2HD1 LEU 26 -1.830 -8.845 -3.191 191 HD13 LEU 26 3HD1 LEU 26 -2.398 -7.556 -2.093 192 HD21 LEU 26 3HD2 LEU 26 0.010 -7.497 -0.896 193 HD22 LEU 26 1HD2 LEU 26 0.222 -8.386 -2.418 194 HD23 LEU 26 2HD2 LEU 26 0.805 -9.091 -0.930 195 H SER 27 H SER 27 -1.011 -10.961 2.650 196 HA SER 27 HA SER 27 -2.679 -10.516 5.022 197 HB2 SER 27 2HB SER 27 -0.799 -11.684 6.083 198 HB3 SER 27 3HB SER 27 -1.313 -12.588 4.656 199 HG SER 27 HG SER 27 0.988 -12.275 4.759 200 H LYS 28 H LYS 28 -1.017 -9.694 6.856 201 HA LYS 28 HA LYS 28 -0.161 -6.996 6.641 202 HB2 LYS 28 2HB LYS 28 1.629 -7.861 8.355 203 HB3 LYS 28 3HB LYS 28 -0.074 -7.756 8.812 204 HG2 LYS 28 2HG LYS 28 -0.323 -10.183 8.584 205 HG3 LYS 28 3HG LYS 28 1.291 -10.327 7.888 206 HD2 LYS 28 2HD LYS 28 1.372 -11.052 10.172 207 HD3 LYS 28 3HD LYS 28 2.282 -9.539 10.034 208 HE2 LYS 28 2HE LYS 28 0.312 -8.285 10.913 209 HE3 LYS 28 3HE LYS 28 -0.607 -9.791 11.000 210 HZ1 LYS 28 3HZ LYS 28 0.943 -10.602 12.666 211 HZ2 LYS 28 1HZ LYS 28 0.342 -9.149 13.135 212 HZ3 LYS 28 2HZ LYS 28 1.867 -9.254 12.552 213 H GLU 29 H GLU 29 1.670 -9.945 6.013 214 HA GLU 29 HA GLU 29 4.062 -8.464 5.355 215 HB2 GLU 29 2HB GLU 29 3.412 -11.402 5.043 216 HB3 GLU 29 3HB GLU 29 4.984 -10.687 4.666 217 HG2 GLU 29 2HG GLU 29 5.121 -9.822 7.020 218 HG3 GLU 29 3HG GLU 29 3.631 -10.687 7.396 219 H GLY 30 H GLY 30 1.447 -10.004 3.404 220 HA2 GLY 30 2HA GLY 30 2.628 -9.525 0.844 221 HA3 GLY 30 3HA GLY 30 0.914 -9.690 1.256 222 H ALA 31 H ALA 31 0.410 -7.460 2.875 223 HA ALA 31 HA ALA 31 0.223 -5.365 0.994 224 HB1 ALA 31 3HB ALA 31 -1.343 -5.556 2.914 225 HB2 ALA 31 1HB ALA 31 -0.013 -5.268 4.050 226 HB3 ALA 31 2HB ALA 31 -0.533 -3.980 2.959 227 H GLU 32 H GLU 32 2.532 -5.843 3.730 228 HA GLU 32 HA GLU 32 3.869 -3.373 3.210 229 HB2 GLU 32 2HB GLU 32 5.527 -3.872 4.695 230 HB3 GLU 32 3HB GLU 32 4.032 -4.557 5.327 231 HG2 GLU 32 2HG GLU 32 4.736 -6.769 4.567 232 HG3 GLU 32 3HG GLU 32 6.218 -6.125 3.886 233 H GLN 33 H GLN 33 4.208 -6.634 1.728 234 HA GLN 33 HA GLN 33 6.704 -6.044 0.368 235 HB2 GLN 33 2HB GLN 33 5.860 -8.365 0.753 236 HB3 GLN 33 3HB GLN 33 4.557 -8.052 -0.396 237 HG2 GLN 33 2HG GLN 33 6.354 -9.268 -1.499 238 HG3 GLN 33 3HG GLN 33 6.224 -7.665 -2.199 239 HE21 GLN 33 1HE2 GLN 33 8.368 -7.062 -2.786 240 HE22 GLN 33 2HE2 GLN 33 9.729 -7.284 -1.692 241 H ILE 34 H ILE 34 3.241 -5.553 -0.467 242 HA ILE 34 HA ILE 34 3.783 -4.525 -3.135 243 HB ILE 34 HB ILE 34 1.568 -3.539 -1.320 244 HG12 ILE 34 2HG1 ILE 34 1.429 -5.693 -3.475 245 HG13 ILE 34 3HG1 ILE 34 1.614 -6.066 -1.767 246 HG21 ILE 34 1HG2 ILE 34 0.587 -2.787 -3.499 247 HG22 ILE 34 2HG2 ILE 34 2.191 -2.106 -3.336 248 HG23 ILE 34 3HG2 ILE 34 1.966 -3.503 -4.370 249 HD11 ILE 34 3HD1 ILE 34 -0.782 -6.102 -2.607 250 HD12 ILE 34 1HD1 ILE 34 -0.512 -5.042 -1.205 251 HD13 ILE 34 2HD1 ILE 34 -0.689 -4.363 -2.827 252 H ILE 35 H ILE 35 3.628 -2.851 0.087 253 HA ILE 35 HA ILE 35 4.371 -0.366 -1.065 254 HB ILE 35 HB ILE 35 3.754 -1.269 1.459 255 HG12 ILE 35 2HG1 ILE 35 2.873 0.665 0.180 256 HG13 ILE 35 3HG1 ILE 35 3.235 1.066 1.837 257 HG21 ILE 35 1HG2 ILE 35 6.407 0.233 1.637 258 HG22 ILE 35 2HG2 ILE 35 5.280 0.006 2.976 259 HG23 ILE 35 3HG2 ILE 35 6.053 -1.398 2.231 260 HD11 ILE 35 3HD1 ILE 35 5.100 1.709 -0.476 261 HD12 ILE 35 1HD1 ILE 35 3.945 2.795 0.241 262 HD13 ILE 35 2HD1 ILE 35 5.275 2.227 1.232 263 H SER 36 H SER 36 6.435 -3.008 -0.157 264 HA SER 36 HA SER 36 8.899 -1.601 -0.583 265 HB2 SER 36 2HB SER 36 8.647 -3.924 0.418 266 HB3 SER 36 3HB SER 36 8.442 -4.532 -1.238 267 HG SER 36 HG SER 36 10.643 -4.577 -0.471 268 H GLU 37 H GLU 37 6.686 -3.332 -2.871 269 HA GLU 37 HA GLU 37 8.247 -2.696 -5.226 270 HB2 GLU 37 2HB GLU 37 5.237 -3.079 -5.200 271 HB3 GLU 37 3HB GLU 37 6.343 -3.255 -6.545 272 HG2 GLU 37 2HG GLU 37 5.929 -5.106 -4.199 273 HG3 GLU 37 3HG GLU 37 5.675 -5.427 -5.896 274 H ILE 38 H ILE 38 5.462 -0.951 -3.719 275 HA ILE 38 HA ILE 38 5.252 1.098 -5.667 276 HB ILE 38 HB ILE 38 4.454 0.774 -2.764 277 HG12 ILE 38 2HG1 ILE 38 2.829 1.049 -5.343 278 HG13 ILE 38 3HG1 ILE 38 3.267 -0.487 -4.606 279 HG21 ILE 38 1HG2 ILE 38 3.988 3.236 -4.372 280 HG22 ILE 38 2HG2 ILE 38 3.078 2.809 -2.925 281 HG23 ILE 38 3HG2 ILE 38 4.810 3.026 -2.787 282 HD11 ILE 38 3HD1 ILE 38 1.368 1.610 -3.466 283 HD12 ILE 38 1HD1 ILE 38 1.005 -0.037 -3.982 284 HD13 ILE 38 2HD1 ILE 38 1.985 0.233 -2.523 285 H GLN 39 H GLN 39 6.978 1.198 -2.519 286 HA GLN 39 HA GLN 39 8.134 3.796 -2.994 287 HB2 GLN 39 2HB GLN 39 8.885 1.526 -1.109 288 HB3 GLN 39 3HB GLN 39 9.814 3.019 -1.318 289 HG2 GLN 39 2HG GLN 39 7.456 4.182 -0.817 290 HG3 GLN 39 3HG GLN 39 7.133 2.653 -0.003 291 HE21 GLN 39 1HE2 GLN 39 7.256 5.109 1.403 292 HE22 GLN 39 2HE2 GLN 39 8.584 4.937 2.535 293 H ASN 40 H ASN 40 9.211 0.483 -3.831 294 HA ASN 40 HA ASN 40 11.770 1.330 -4.874 295 HB2 ASN 40 2HB ASN 40 11.271 -1.003 -4.336 296 HB3 ASN 40 3HB ASN 40 10.049 -1.065 -5.609 297 HD21 ASN 40 1HD2 ASN 40 13.534 -0.911 -4.932 298 HD22 ASN 40 2HD2 ASN 40 14.033 -1.254 -6.586 299 H GLN 41 H GLN 41 8.467 1.379 -6.408 300 HA GLN 41 HA GLN 41 9.516 1.988 -9.041 301 HB2 GLN 41 2HB GLN 41 6.802 2.327 -7.721 302 HB3 GLN 41 3HB GLN 41 7.105 2.795 -9.384 303 HG2 GLN 41 2HG GLN 41 7.782 -0.016 -8.427 304 HG3 GLN 41 3HG GLN 41 6.145 0.426 -8.838 305 HE21 GLN 41 1HE2 GLN 41 6.785 -1.508 -10.389 306 HE22 GLN 41 2HE2 GLN 41 7.423 -1.003 -11.948 307 H LEU 42 H LEU 42 8.556 3.987 -6.207 308 HA LEU 42 HA LEU 42 9.288 6.444 -7.638 309 HB2 LEU 42 2HB LEU 42 7.714 6.299 -5.799 310 HB3 LEU 42 3HB LEU 42 8.995 6.011 -4.646 311 HG LEU 42 HG LEU 42 9.016 8.507 -6.413 312 HD11 LEU 42 1HD1 LEU 42 7.891 9.655 -4.426 313 HD12 LEU 42 2HD1 LEU 42 7.484 8.034 -3.839 314 HD13 LEU 42 3HD1 LEU 42 6.862 8.608 -5.407 315 HD21 LEU 42 3HD2 LEU 42 10.159 9.468 -4.365 316 HD22 LEU 42 1HD2 LEU 42 11.073 8.187 -5.140 317 HD23 LEU 42 2HD2 LEU 42 10.156 7.832 -3.668 318 H GLN 43 H GLN 43 11.115 4.269 -5.531 319 HA GLN 43 HA GLN 43 13.313 6.234 -5.219 320 HB2 GLN 43 2HB GLN 43 12.505 4.836 -3.374 321 HB3 GLN 43 3HB GLN 43 13.067 3.378 -4.204 322 HG2 GLN 43 2HG GLN 43 15.396 4.152 -4.054 323 HG3 GLN 43 3HG GLN 43 14.875 5.679 -3.337 324 HE21 GLN 43 1HE2 GLN 43 16.790 4.094 -2.043 325 HE22 GLN 43 2HE2 GLN 43 16.052 3.427 -0.593 326 H ASN 44 H ASN 44 13.004 3.098 -6.945 327 HA ASN 44 HA ASN 44 15.814 2.874 -7.429 328 HB2 ASN 44 2HB ASN 44 13.861 1.122 -7.333 329 HB3 ASN 44 3HB ASN 44 13.693 1.439 -9.056 330 HD21 ASN 44 1HD2 ASN 44 16.527 1.659 -9.725 331 HD22 ASN 44 2HD2 ASN 44 17.207 0.058 -9.437 332 H LEU 45 H LEU 45 13.252 4.466 -9.311 333 HA LEU 45 HA LEU 45 14.895 4.665 -11.727 334 HB2 LEU 45 2HB LEU 45 12.160 5.807 -11.045 335 HB3 LEU 45 3HB LEU 45 12.905 5.758 -12.642 336 HG LEU 45 HG LEU 45 12.010 3.346 -10.999 337 HD11 LEU 45 1HD1 LEU 45 10.179 4.674 -11.987 338 HD12 LEU 45 2HD1 LEU 45 10.323 3.084 -12.750 339 HD13 LEU 45 3HD1 LEU 45 10.933 4.529 -13.590 340 HD21 LEU 45 3HD2 LEU 45 13.238 3.464 -13.789 341 HD22 LEU 45 1HD2 LEU 45 12.483 2.031 -13.057 342 HD23 LEU 45 2HD2 LEU 45 13.953 2.700 -12.349 343 H LYS 46 H LYS 46 16.546 5.759 -10.076 344 HA LYS 46 HA LYS 46 16.490 8.675 -10.598 345 HB2 LYS 46 2HB LYS 46 17.220 7.340 -7.947 346 HB3 LYS 46 3HB LYS 46 17.455 9.045 -8.318 347 HG2 LYS 46 2HG LYS 46 14.760 7.634 -8.181 348 HG3 LYS 46 3HG LYS 46 15.461 8.599 -6.893 349 HD2 LYS 46 2HD LYS 46 15.305 10.632 -8.116 350 HD3 LYS 46 3HD LYS 46 14.986 9.823 -9.644 351 HE2 LYS 46 2HE LYS 46 13.093 9.862 -7.267 352 HE3 LYS 46 3HE LYS 46 12.976 10.858 -8.730 353 HZ1 LYS 46 3HZ LYS 46 12.977 8.579 -9.925 354 HZ2 LYS 46 1HZ LYS 46 11.585 9.076 -9.197 355 HZ3 LYS 46 2HZ LYS 46 12.515 7.974 -8.459 356 H1 MET 1 1H MET 1 -17.919 -21.928 -1.894 357 H2 MET 1 2H MET 1 -19.090 -21.053 -1.158 358 H3 MET 1 3H MET 1 -17.807 -21.609 -0.298 359 HA MET 1 HA MET 1 -17.660 -19.649 -2.484 360 HB2 MET 1 2HB MET 1 -17.234 -17.915 -0.878 361 HB3 MET 1 3HB MET 1 -18.764 -18.689 -0.491 362 HG2 MET 1 2HG MET 1 -17.643 -19.971 1.331 363 HG3 MET 1 3HG MET 1 -16.113 -19.180 0.932 364 HE1 MET 1 3HE MET 1 -15.752 -18.445 3.411 365 HE2 MET 1 1HE MET 1 -16.971 -17.593 4.383 366 HE3 MET 1 2HE MET 1 -17.266 -19.266 3.860 367 H ASN 2 H ASN 2 -15.545 -18.524 -2.614 368 HA ASN 2 HA ASN 2 -13.342 -20.409 -2.584 369 HB2 ASN 2 2HB ASN 2 -12.058 -18.542 -3.528 370 HB3 ASN 2 3HB ASN 2 -13.593 -18.742 -4.359 371 HD21 ASN 2 1HD2 ASN 2 -11.702 -16.591 -2.254 372 HD22 ASN 2 2HD2 ASN 2 -12.829 -15.250 -2.416 373 H CYS 3 H CYS 3 -11.264 -20.059 -1.596 374 HA CYS 3 HA CYS 3 -11.286 -19.138 1.184 375 HB2 CYS 3 2HB CYS 3 -8.892 -19.849 1.098 376 HB3 CYS 3 3HB CYS 3 -10.011 -21.125 0.594 377 HG CYS 3 HG CYS 3 -7.834 -21.225 -0.874 378 H MET 4 H MET 4 -9.609 -17.644 1.958 379 HA MET 4 HA MET 4 -8.543 -15.688 -0.015 380 HB2 MET 4 2HB MET 4 -10.000 -15.017 2.547 381 HB3 MET 4 3HB MET 4 -8.675 -14.015 1.985 382 HG2 MET 4 2HG MET 4 -9.820 -13.707 -0.193 383 HG3 MET 4 3HG MET 4 -11.115 -14.792 0.317 384 HE1 MET 4 3HE MET 4 -12.885 -11.295 0.124 385 HE2 MET 4 1HE MET 4 -11.573 -11.889 -0.918 386 HE3 MET 4 2HE MET 4 -12.894 -12.980 -0.440 387 H THR 5 H THR 5 -6.470 -15.752 -0.005 388 HA THR 5 HA THR 5 -4.900 -15.745 2.477 389 HB THR 5 HB THR 5 -5.021 -18.073 1.620 390 HG1 THR 5 HG1 THR 5 -2.836 -18.368 1.929 391 HG21 THR 5 3HG2 THR 5 -3.368 -17.026 -0.758 392 HG22 THR 5 1HG2 THR 5 -4.997 -17.749 -0.816 393 HG23 THR 5 2HG2 THR 5 -3.615 -18.728 -0.323 394 H CYS 6 H CYS 6 -2.767 -14.853 2.134 395 HA CYS 6 HA CYS 6 -2.520 -12.803 0.168 396 HB2 CYS 6 2HB CYS 6 -1.291 -12.891 2.381 397 HB3 CYS 6 3HB CYS 6 -0.360 -14.229 1.741 398 HG CYS 6 HG CYS 6 1.168 -12.233 1.527 399 H GLN 7 H GLN 7 -2.316 -13.040 -1.995 400 HA GLN 7 HA GLN 7 -1.346 -15.588 -3.042 401 HB2 GLN 7 2HB GLN 7 -1.864 -13.064 -4.598 402 HB3 GLN 7 3HB GLN 7 -1.816 -14.744 -5.175 403 HG2 GLN 7 2HG GLN 7 -3.948 -13.606 -3.325 404 HG3 GLN 7 3HG GLN 7 -4.104 -13.822 -5.054 405 HE21 GLN 7 1HE2 GLN 7 -4.831 -15.295 -2.148 406 HE22 GLN 7 2HE2 GLN 7 -5.083 -16.915 -2.810 407 H VAL 8 H VAL 8 0.290 -12.813 -1.969 408 HA VAL 8 HA VAL 8 2.711 -13.210 -3.651 409 HB VAL 8 HB VAL 8 1.954 -11.039 -1.667 410 HG11 VAL 8 1HG1 VAL 8 4.337 -11.181 -3.556 411 HG12 VAL 8 2HG1 VAL 8 3.814 -9.729 -2.674 412 HG13 VAL 8 3HG1 VAL 8 4.390 -11.129 -1.777 413 HG21 VAL 8 3HG2 VAL 8 1.751 -9.636 -3.738 414 HG22 VAL 8 1HG2 VAL 8 1.999 -11.093 -4.717 415 HG23 VAL 8 2HG2 VAL 8 0.561 -10.936 -3.683 416 H THR 9 H THR 9 1.617 -13.894 -0.468 417 HA THR 9 HA THR 9 4.350 -14.844 0.363 418 HB THR 9 HB THR 9 4.051 -14.221 2.623 419 HG1 THR 9 HG1 THR 9 2.203 -13.125 3.305 420 HG21 THR 9 3HG2 THR 9 3.146 -11.817 0.982 421 HG22 THR 9 1HG2 THR 9 4.830 -12.368 1.143 422 HG23 THR 9 2HG2 THR 9 3.940 -11.797 2.567 423 H GLY 10 H GLY 10 0.876 -15.268 0.775 424 HA2 GLY 10 2HA GLY 10 -0.159 -17.493 0.605 425 HA3 GLY 10 3HA GLY 10 1.303 -18.216 1.258 426 H GLU 11 H GLU 11 0.640 -15.409 3.061 427 HA GLU 11 HA GLU 11 -0.514 -16.948 5.279 428 HB2 GLU 11 2HB GLU 11 0.572 -14.164 4.869 429 HB3 GLU 11 3HB GLU 11 -0.334 -14.547 6.340 430 HG2 GLU 11 2HG GLU 11 2.040 -16.164 5.366 431 HG3 GLU 11 3HG GLU 11 2.186 -14.792 6.470 432 H VAL 12 H VAL 12 -2.353 -16.658 6.277 433 HA VAL 12 HA VAL 12 -4.558 -15.145 4.935 434 HB VAL 12 HB VAL 12 -5.080 -17.372 4.519 435 HG11 VAL 12 1HG1 VAL 12 -5.315 -19.138 6.220 436 HG12 VAL 12 2HG1 VAL 12 -3.645 -18.589 6.084 437 HG13 VAL 12 3HG1 VAL 12 -4.644 -18.056 7.456 438 HG21 VAL 12 3HG2 VAL 12 -6.712 -16.685 6.998 439 HG22 VAL 12 1HG2 VAL 12 -6.949 -15.938 5.402 440 HG23 VAL 12 2HG2 VAL 12 -7.197 -17.677 5.612 441 H SER 13 H SER 13 -5.510 -13.575 6.054 442 HA SER 13 HA SER 13 -5.877 -13.884 8.984 443 HB2 SER 13 2HB SER 13 -4.907 -11.327 7.638 444 HB3 SER 13 3HB SER 13 -5.341 -11.522 9.340 445 HG SER 13 HG SER 13 -3.611 -13.133 9.432 446 H ASP 14 H ASP 14 -7.950 -13.302 9.593 447 HA ASP 14 HA ASP 14 -9.896 -13.082 7.533 448 HB2 ASP 14 2HB ASP 14 -11.513 -12.863 9.442 449 HB3 ASP 14 3HB ASP 14 -10.470 -14.271 9.462 450 H ASP 15 H ASP 15 -8.118 -10.545 8.968 451 HA ASP 15 HA ASP 15 -10.003 -8.400 8.409 452 HB2 ASP 15 2HB ASP 15 -7.011 -8.249 8.832 453 HB3 ASP 15 3HB ASP 15 -8.196 -6.975 9.068 454 H ASN 16 H ASN 16 -7.993 -10.301 6.446 455 HA ASN 16 HA ASN 16 -7.030 -10.095 4.351 456 HB2 ASN 16 2HB ASN 16 -9.971 -9.390 4.053 457 HB3 ASN 16 3HB ASN 16 -8.936 -9.961 2.747 458 HD21 ASN 16 1HD2 ASN 16 -11.034 -11.006 5.242 459 HD22 ASN 16 2HD2 ASN 16 -10.600 -12.702 5.115 460 H LEU 17 H LEU 17 -5.471 -8.384 4.396 461 HA LEU 17 HA LEU 17 -6.148 -5.726 3.497 462 HB2 LEU 17 2HB LEU 17 -3.423 -7.107 3.433 463 HB3 LEU 17 3HB LEU 17 -3.747 -5.383 3.429 464 HG LEU 17 HG LEU 17 -4.215 -7.308 5.734 465 HD11 LEU 17 1HD1 LEU 17 -1.816 -6.570 5.184 466 HD12 LEU 17 2HD1 LEU 17 -2.395 -6.316 6.837 467 HD13 LEU 17 3HD1 LEU 17 -2.309 -4.975 5.714 468 HD21 LEU 17 3HD2 LEU 17 -5.886 -5.709 6.083 469 HD22 LEU 17 1HD2 LEU 17 -4.937 -4.410 5.340 470 HD23 LEU 17 2HD2 LEU 17 -4.504 -4.988 6.939 471 H LYS 18 H LYS 18 -5.491 -4.848 1.402 472 HA LYS 18 HA LYS 18 -5.565 -6.870 -0.768 473 HB2 LYS 18 2HB LYS 18 -7.608 -4.642 -0.612 474 HB3 LYS 18 3HB LYS 18 -7.390 -5.815 -1.927 475 HG2 LYS 18 2HG LYS 18 -7.860 -7.642 -0.165 476 HG3 LYS 18 3HG LYS 18 -8.419 -6.314 0.865 477 HD2 LYS 18 2HD LYS 18 -10.390 -7.060 -0.163 478 HD3 LYS 18 3HD LYS 18 -9.939 -5.653 -1.138 479 HE2 LYS 18 2HE LYS 18 -8.736 -7.346 -2.705 480 HE3 LYS 18 3HE LYS 18 -9.538 -8.613 -1.771 481 HZ1 LYS 18 3HZ LYS 18 -10.836 -6.504 -3.404 482 HZ2 LYS 18 1HZ LYS 18 -11.688 -7.483 -2.388 483 HZ3 LYS 18 2HZ LYS 18 -10.888 -8.108 -3.670 484 H LEU 19 H LEU 19 -5.100 -6.250 -2.836 485 HA LEU 19 HA LEU 19 -2.837 -4.539 -2.986 486 HB2 LEU 19 2HB LEU 19 -3.312 -6.767 -4.102 487 HB3 LEU 19 3HB LEU 19 -4.281 -5.927 -5.278 488 HG LEU 19 HG LEU 19 -1.457 -4.914 -4.944 489 HD11 LEU 19 1HD1 LEU 19 -1.066 -7.307 -4.743 490 HD12 LEU 19 2HD1 LEU 19 -0.551 -6.749 -6.339 491 HD13 LEU 19 3HD1 LEU 19 -2.087 -7.633 -6.161 492 HD21 LEU 19 3HD2 LEU 19 -3.048 -5.748 -7.418 493 HD22 LEU 19 1HD2 LEU 19 -1.556 -4.784 -7.373 494 HD23 LEU 19 2HD2 LEU 19 -3.068 -4.112 -6.745 495 H ALA 20 H ALA 20 -2.388 -3.019 -4.839 496 HA ALA 20 HA ALA 20 -4.135 -0.759 -4.136 497 HB1 ALA 20 3HB ALA 20 -1.376 -0.784 -5.409 498 HB2 ALA 20 1HB ALA 20 -2.251 0.654 -4.843 499 HB3 ALA 20 2HB ALA 20 -1.725 -0.577 -3.674 500 H GLY 21 H GLY 21 -4.688 0.967 -5.756 501 HA2 GLY 21 2HA GLY 21 -4.698 0.150 -8.594 502 HA3 GLY 21 3HA GLY 21 -6.270 0.248 -7.788 503 H GLY 22 H GLY 22 -5.407 2.622 -6.147 504 HA2 GLY 22 2HA GLY 22 -4.305 4.634 -6.381 505 HA3 GLY 22 3HA GLY 22 -4.489 4.625 -8.135 506 H LYS 23 H LYS 23 -6.324 4.912 -5.077 507 HA LYS 23 HA LYS 23 -8.529 6.370 -6.330 508 HB2 LYS 23 2HB LYS 23 -7.885 6.011 -3.382 509 HB3 LYS 23 3HB LYS 23 -9.376 6.671 -4.044 510 HG2 LYS 23 2HG LYS 23 -9.810 4.488 -5.193 511 HG3 LYS 23 3HG LYS 23 -8.366 3.817 -4.404 512 HD2 LYS 23 2HD LYS 23 -9.355 4.330 -2.176 513 HD3 LYS 23 3HD LYS 23 -10.802 4.981 -2.974 514 HE2 LYS 23 2HE LYS 23 -11.205 2.757 -4.022 515 HE3 LYS 23 3HE LYS 23 -9.771 2.124 -3.197 516 HZ1 LYS 23 3HZ LYS 23 -11.788 1.597 -1.968 517 HZ2 LYS 23 1HZ LYS 23 -12.180 3.174 -1.820 518 HZ3 LYS 23 2HZ LYS 23 -10.847 2.586 -1.075 519 H LEU 24 H LEU 24 -5.586 7.374 -4.767 520 HA LEU 24 HA LEU 24 -5.973 10.174 -5.492 521 HB2 LEU 24 2HB LEU 24 -7.133 9.782 -3.228 522 HB3 LEU 24 3HB LEU 24 -5.547 9.392 -2.565 523 HG LEU 24 HG LEU 24 -4.772 11.685 -2.972 524 HD11 LEU 24 1HD1 LEU 24 -7.565 12.176 -4.101 525 HD12 LEU 24 2HD1 LEU 24 -6.034 12.317 -4.994 526 HD13 LEU 24 3HD1 LEU 24 -6.390 13.444 -3.688 527 HD21 LEU 24 3HD2 LEU 24 -7.500 11.520 -1.620 528 HD22 LEU 24 1HD2 LEU 24 -6.322 12.822 -1.400 529 HD23 LEU 24 2HD2 LEU 24 -5.923 11.178 -0.870 530 H VAL 25 H VAL 25 -3.904 11.405 -5.175 531 HA VAL 25 HA VAL 25 -1.558 9.636 -5.553 532 HB VAL 25 HB VAL 25 -1.908 12.626 -5.993 533 HG11 VAL 25 1HG1 VAL 25 0.359 12.497 -7.074 534 HG12 VAL 25 2HG1 VAL 25 0.415 12.311 -5.328 535 HG13 VAL 25 3HG1 VAL 25 0.569 10.883 -6.384 536 HG21 VAL 25 3HG2 VAL 25 -1.438 10.293 -7.898 537 HG22 VAL 25 1HG2 VAL 25 -2.956 11.200 -7.717 538 HG23 VAL 25 2HG2 VAL 25 -1.514 12.013 -8.361 539 H LEU 26 H LEU 26 -0.010 9.385 -4.340 540 HA LEU 26 HA LEU 26 0.617 11.050 -1.951 541 HB2 LEU 26 2HB LEU 26 0.324 8.029 -2.031 542 HB3 LEU 26 3HB LEU 26 1.258 8.886 -0.816 543 HG LEU 26 HG LEU 26 -0.884 10.299 -0.398 544 HD11 LEU 26 1HD1 LEU 26 -3.005 8.981 -0.679 545 HD12 LEU 26 2HD1 LEU 26 -2.102 7.745 -1.597 546 HD13 LEU 26 3HD1 LEU 26 -2.348 9.366 -2.240 547 HD21 LEU 26 3HD2 LEU 26 -0.213 9.026 1.371 548 HD22 LEU 26 1HD2 LEU 26 -0.395 7.492 0.486 549 HD23 LEU 26 2HD2 LEU 26 -1.808 8.381 1.090 550 H SER 27 H SER 27 2.947 10.901 -1.223 551 HA SER 27 HA SER 27 4.786 10.132 -3.439 552 HB2 SER 27 2HB SER 27 4.837 12.448 -2.521 553 HB3 SER 27 3HB SER 27 5.269 11.783 -0.948 554 HG SER 27 HG SER 27 7.110 12.413 -2.278 555 H LYS 28 H LYS 28 6.968 9.582 -2.049 556 HA LYS 28 HA LYS 28 6.893 6.856 -1.331 557 HB2 LYS 28 2HB LYS 28 8.837 8.448 -1.885 558 HB3 LYS 28 3HB LYS 28 8.809 8.956 -0.204 559 HG2 LYS 28 2HG LYS 28 9.291 6.649 0.506 560 HG3 LYS 28 3HG LYS 28 9.228 6.104 -1.191 561 HD2 LYS 28 2HD LYS 28 11.106 7.913 -1.540 562 HD3 LYS 28 3HD LYS 28 11.297 7.844 0.210 563 HE2 LYS 28 2HE LYS 28 11.418 5.438 -1.675 564 HE3 LYS 28 3HE LYS 28 12.831 6.365 -1.170 565 HZ1 LYS 28 3HZ LYS 28 12.616 4.429 0.167 566 HZ2 LYS 28 1HZ LYS 28 11.094 4.765 0.645 567 HZ3 LYS 28 2HZ LYS 28 12.340 5.719 1.140 568 H GLU 29 H GLU 29 6.700 9.680 0.738 569 HA GLU 29 HA GLU 29 6.666 8.172 3.205 570 HB2 GLU 29 2HB GLU 29 5.920 11.066 2.716 571 HB3 GLU 29 3HB GLU 29 6.282 10.351 4.283 572 HG2 GLU 29 2HG GLU 29 8.227 10.760 1.967 573 HG3 GLU 29 3HG GLU 29 8.141 11.709 3.439 574 H GLY 30 H GLY 30 4.134 9.765 1.165 575 HA2 GLY 30 2HA GLY 30 1.947 9.247 2.947 576 HA3 GLY 30 3HA GLY 30 1.898 9.552 1.204 577 H ALA 31 H ALA 31 3.367 7.321 0.207 578 HA ALA 31 HA ALA 31 1.358 5.314 0.261 579 HB1 ALA 31 3HB ALA 31 4.255 5.068 -0.693 580 HB2 ALA 31 1HB ALA 31 2.905 4.029 -1.165 581 HB3 ALA 31 2HB ALA 31 2.918 5.722 -1.661 582 H GLU 32 H GLU 32 4.564 5.547 1.916 583 HA GLU 32 HA GLU 32 4.148 3.014 3.262 584 HB2 GLU 32 2HB GLU 32 5.929 3.412 4.680 585 HB3 GLU 32 3HB GLU 32 6.318 3.928 3.044 586 HG2 GLU 32 2HG GLU 32 6.136 6.239 3.657 587 HG3 GLU 32 3HG GLU 32 5.444 5.853 5.239 588 H GLN 33 H GLN 33 2.972 6.314 3.996 589 HA GLN 33 HA GLN 33 2.207 5.625 6.706 590 HB2 GLN 33 2HB GLN 33 2.650 7.926 6.009 591 HB3 GLN 33 3HB GLN 33 1.205 7.912 4.980 592 HG2 GLN 33 2HG GLN 33 -0.246 7.649 6.895 593 HG3 GLN 33 3HG GLN 33 1.109 7.296 7.967 594 HE21 GLN 33 1HE2 GLN 33 -0.751 9.256 8.680 595 HE22 GLN 33 2HE2 GLN 33 0.053 10.818 8.590 596 H ILE 34 H ILE 34 0.651 5.360 3.509 597 HA ILE 34 HA ILE 34 -1.861 4.309 4.534 598 HB ILE 34 HB ILE 34 -0.527 3.559 1.920 599 HG12 ILE 34 2HG1 ILE 34 -2.763 5.564 2.439 600 HG13 ILE 34 3HG1 ILE 34 -1.074 6.041 2.290 601 HG21 ILE 34 1HG2 ILE 34 -2.943 2.847 1.404 602 HG22 ILE 34 2HG2 ILE 34 -2.173 1.910 2.663 603 HG23 ILE 34 3HG2 ILE 34 -3.320 3.163 3.118 604 HD11 ILE 34 3HD1 ILE 34 -0.944 5.200 0.007 605 HD12 ILE 34 1HD1 ILE 34 -2.551 4.480 0.115 606 HD13 ILE 34 2HD1 ILE 34 -2.389 6.229 0.139 607 H ILE 35 H ILE 35 1.299 2.663 3.733 608 HA ILE 35 HA ILE 35 0.337 0.139 4.519 609 HB ILE 35 HB ILE 35 2.921 1.144 3.906 610 HG12 ILE 35 2HG1 ILE 35 1.792 -0.712 2.810 611 HG13 ILE 35 3HG1 ILE 35 3.351 -1.239 3.471 612 HG21 ILE 35 1HG2 ILE 35 4.440 -0.178 5.281 613 HG22 ILE 35 2HG2 ILE 35 3.646 1.064 6.239 614 HG23 ILE 35 3HG2 ILE 35 3.123 -0.629 6.371 615 HD11 ILE 35 3HD1 ILE 35 0.791 -1.848 4.957 616 HD12 ILE 35 1HD1 ILE 35 1.419 -2.845 3.677 617 HD13 ILE 35 2HD1 ILE 35 2.422 -2.569 5.103 618 H SER 36 H SER 36 1.486 2.708 6.582 619 HA SER 36 HA SER 36 1.387 1.205 9.049 620 HB2 SER 36 2HB SER 36 2.464 3.460 8.801 621 HB3 SER 36 3HB SER 36 0.844 4.184 8.718 622 HG SER 36 HG SER 36 1.729 4.157 10.862 623 H GLU 37 H GLU 37 -1.118 3.155 7.299 624 HA GLU 37 HA GLU 37 -3.222 2.583 9.200 625 HB2 GLU 37 2HB GLU 37 -3.334 3.299 6.244 626 HB3 GLU 37 3HB GLU 37 -4.747 3.161 7.279 627 HG2 GLU 37 2HG GLU 37 -2.455 5.110 7.785 628 HG3 GLU 37 3HG GLU 37 -3.926 5.501 6.911 629 H ILE 38 H ILE 38 -2.331 0.906 6.145 630 HA ILE 38 HA ILE 38 -4.414 -1.019 6.196 631 HB ILE 38 HB ILE 38 -1.713 -0.764 4.849 632 HG12 ILE 38 2HG1 ILE 38 -4.634 -0.807 3.909 633 HG13 ILE 38 3HG1 ILE 38 -3.624 0.622 4.078 634 HG21 ILE 38 1HG2 ILE 38 -3.473 -3.166 4.555 635 HG22 ILE 38 2HG2 ILE 38 -2.187 -2.712 3.442 636 HG23 ILE 38 3HG2 ILE 38 -1.760 -3.067 5.098 637 HD11 ILE 38 3HD1 ILE 38 -2.101 -0.407 2.270 638 HD12 ILE 38 1HD1 ILE 38 -3.409 -1.579 1.990 639 HD13 ILE 38 2HD1 ILE 38 -3.715 0.143 1.756 640 H GLN 39 H GLN 39 -1.056 -1.345 7.357 641 HA GLN 39 HA GLN 39 -1.455 -4.017 8.388 642 HB2 GLN 39 2HB GLN 39 0.670 -1.906 8.929 643 HB3 GLN 39 3HB GLN 39 0.541 -3.441 9.784 644 HG2 GLN 39 2HG GLN 39 0.521 -4.498 7.338 645 HG3 GLN 39 3HG GLN 39 1.269 -2.982 6.874 646 HE21 GLN 39 1HE2 GLN 39 2.446 -5.653 6.763 647 HE22 GLN 39 2HE2 GLN 39 3.900 -5.552 7.720 648 H ASN 40 H ASN 40 -1.952 -0.776 9.753 649 HA ASN 40 HA ASN 40 -2.773 -1.789 12.374 650 HB2 ASN 40 2HB ASN 40 -2.986 0.843 10.951 651 HB3 ASN 40 3HB ASN 40 -4.043 0.549 12.309 652 HD21 ASN 40 1HD2 ASN 40 -0.784 1.291 11.452 653 HD22 ASN 40 2HD2 ASN 40 -0.173 1.322 13.110 654 H GLN 41 H GLN 41 -4.610 -1.542 9.281 655 HA GLN 41 HA GLN 41 -7.162 -2.088 10.592 656 HB2 GLN 41 2HB GLN 41 -6.299 -2.502 7.701 657 HB3 GLN 41 3HB GLN 41 -7.917 -2.774 8.353 658 HG2 GLN 41 2HG GLN 41 -7.879 -0.353 9.167 659 HG3 GLN 41 3HG GLN 41 -6.445 -0.126 8.191 660 HE21 GLN 41 1HE2 GLN 41 -8.318 1.561 7.470 661 HE22 GLN 41 2HE2 GLN 41 -9.154 1.024 6.020 662 H LEU 42 H LEU 42 -4.538 -4.142 9.259 663 HA LEU 42 HA LEU 42 -5.955 -6.539 10.119 664 HB2 LEU 42 2HB LEU 42 -4.258 -6.472 8.399 665 HB3 LEU 42 3HB LEU 42 -2.982 -6.264 9.564 666 HG LEU 42 HG LEU 42 -4.885 -8.676 9.655 667 HD11 LEU 42 1HD1 LEU 42 -3.914 -8.696 7.452 668 HD12 LEU 42 2HD1 LEU 42 -3.025 -9.872 8.425 669 HD13 LEU 42 3HD1 LEU 42 -2.311 -8.278 8.110 670 HD21 LEU 42 3HD2 LEU 42 -3.513 -8.446 11.677 671 HD22 LEU 42 1HD2 LEU 42 -2.067 -8.147 10.700 672 HD23 LEU 42 2HD2 LEU 42 -2.856 -9.749 10.706 673 H GLN 43 H GLN 43 -3.508 -4.553 11.785 674 HA GLN 43 HA GLN 43 -3.328 -6.408 13.997 675 HB2 GLN 43 2HB GLN 43 -2.212 -3.637 13.502 676 HB3 GLN 43 3HB GLN 43 -1.924 -4.497 15.003 677 HG2 GLN 43 2HG GLN 43 -1.214 -5.692 12.290 678 HG3 GLN 43 3HG GLN 43 -0.111 -4.693 13.235 679 HE21 GLN 43 1HE2 GLN 43 0.335 -5.482 15.570 680 HE22 GLN 43 2HE2 GLN 43 0.392 -7.224 15.783 681 H ASN 44 H ASN 44 -4.970 -3.207 13.789 682 HA ASN 44 HA ASN 44 -5.848 -3.541 16.651 683 HB2 ASN 44 2HB ASN 44 -4.644 -1.094 15.289 684 HB3 ASN 44 3HB ASN 44 -5.274 -1.132 16.932 685 HD21 ASN 44 1HD2 ASN 44 -2.408 -1.036 15.372 686 HD22 ASN 44 2HD2 ASN 44 -1.463 -1.994 16.505 687 H LEU 45 H LEU 45 -6.648 -2.021 13.517 688 HA LEU 45 HA LEU 45 -9.030 -0.703 14.641 689 HB2 LEU 45 2HB LEU 45 -7.510 -0.605 12.046 690 HB3 LEU 45 3HB LEU 45 -9.170 -0.044 12.075 691 HG LEU 45 HG LEU 45 -8.669 1.651 13.719 692 HD11 LEU 45 1HD1 LEU 45 -6.304 2.140 14.393 693 HD12 LEU 45 2HD1 LEU 45 -5.830 0.559 13.733 694 HD13 LEU 45 3HD1 LEU 45 -6.949 0.664 15.110 695 HD21 LEU 45 3HD2 LEU 45 -7.171 3.045 12.355 696 HD22 LEU 45 1HD2 LEU 45 -8.276 2.125 11.323 697 HD23 LEU 45 2HD2 LEU 45 -6.583 1.604 11.494 698 H LYS 46 H LYS 46 -11.031 -0.754 13.476 699 HA LYS 46 HA LYS 46 -12.966 -1.820 13.521 700 HB2 LYS 46 2HB LYS 46 -13.793 -2.248 11.526 701 HB3 LYS 46 3HB LYS 46 -12.410 -1.255 11.160 702 HG2 LYS 46 2HG LYS 46 -12.669 -4.253 10.680 703 HG3 LYS 46 3HG LYS 46 -12.887 -2.999 9.509 704 HD2 LYS 46 2HD LYS 46 -10.733 -2.825 9.017 705 HD3 LYS 46 3HD LYS 46 -10.221 -2.739 10.692 706 HE2 LYS 46 2HE LYS 46 -11.033 -5.339 9.308 707 HE3 LYS 46 3HE LYS 46 -9.367 -4.743 9.359 708 HZ1 LYS 46 3HZ LYS 46 -9.445 -4.807 11.754 709 HZ2 LYS 46 1HZ LYS 46 -9.814 -6.305 11.196 710 HZ3 LYS 46 2HZ LYS 46 -10.987 -5.289 11.789 Start of MODEL 8 1 H1 MET 1 1H MET 1 -3.988 20.620 -16.587 2 H2 MET 1 2H MET 1 -2.992 21.019 -17.824 3 H3 MET 1 3H MET 1 -3.337 22.118 -16.657 4 HA MET 1 HA MET 1 -1.854 19.610 -16.243 5 HB2 MET 1 2HB MET 1 -0.579 21.316 -17.547 6 HB3 MET 1 3HB MET 1 -0.791 22.471 -16.233 7 HG2 MET 1 2HG MET 1 1.432 21.398 -16.210 8 HG3 MET 1 3HG MET 1 0.533 21.104 -14.733 9 HE1 MET 1 3HE MET 1 0.433 19.284 -18.337 10 HE2 MET 1 1HE MET 1 2.138 19.613 -17.947 11 HE3 MET 1 2HE MET 1 1.538 17.941 -17.980 12 H ASN 2 H ASN 2 -1.168 19.177 -14.110 13 HA ASN 2 HA ASN 2 -2.055 20.941 -11.912 14 HB2 ASN 2 2HB ASN 2 -3.986 19.439 -12.363 15 HB3 ASN 2 3HB ASN 2 -2.935 18.031 -12.215 16 HD21 ASN 2 1HD2 ASN 2 -2.964 17.079 -10.196 17 HD22 ASN 2 2HD2 ASN 2 -3.354 17.943 -8.713 18 H CYS 3 H CYS 3 -0.956 20.557 -9.935 19 HA CYS 3 HA CYS 3 1.610 19.079 -10.138 20 HB2 CYS 3 2HB CYS 3 0.464 20.929 -8.008 21 HB3 CYS 3 3HB CYS 3 2.046 20.137 -7.926 22 HG CYS 3 HG CYS 3 0.923 22.145 -10.328 23 H MET 4 H MET 4 1.331 16.922 -9.908 24 HA MET 4 HA MET 4 -0.626 15.747 -8.078 25 HB2 MET 4 2HB MET 4 1.304 14.732 -10.131 26 HB3 MET 4 3HB MET 4 0.926 13.667 -8.789 27 HG2 MET 4 2HG MET 4 -0.669 13.216 -10.512 28 HG3 MET 4 3HG MET 4 -1.486 13.994 -9.159 29 HE1 MET 4 3HE MET 4 -0.296 14.297 -12.871 30 HE2 MET 4 1HE MET 4 -0.719 15.971 -13.292 31 HE3 MET 4 2HE MET 4 0.620 15.655 -12.174 32 H THR 5 H THR 5 -0.259 16.307 -6.085 33 HA THR 5 HA THR 5 2.353 15.655 -4.778 34 HB THR 5 HB THR 5 1.860 18.072 -4.968 35 HG1 THR 5 HG1 THR 5 2.419 18.436 -2.841 36 HG21 THR 5 3HG2 THR 5 -0.623 18.036 -4.638 37 HG22 THR 5 1HG2 THR 5 0.204 19.114 -3.504 38 HG23 THR 5 2HG2 THR 5 -0.379 17.530 -2.951 39 H CYS 6 H CYS 6 2.377 14.820 -2.705 40 HA CYS 6 HA CYS 6 0.362 12.979 -1.986 41 HB2 CYS 6 2HB CYS 6 2.801 12.856 -1.351 42 HB3 CYS 6 3HB CYS 6 2.528 14.198 -0.264 43 HG CYS 6 HG CYS 6 2.557 12.195 1.264 44 H GLN 7 H GLN 7 -1.648 13.274 -1.124 45 HA GLN 7 HA GLN 7 -2.300 15.789 0.200 46 HB2 GLN 7 2HB GLN 7 -3.863 14.593 -1.239 47 HB3 GLN 7 3HB GLN 7 -3.895 13.230 -0.116 48 HG2 GLN 7 2HG GLN 7 -5.902 14.626 0.120 49 HG3 GLN 7 3HG GLN 7 -4.978 14.632 1.601 50 HE21 GLN 7 1HE2 GLN 7 -3.811 16.632 2.175 51 HE22 GLN 7 2HE2 GLN 7 -4.308 18.160 1.438 52 H VAL 8 H VAL 8 -0.897 12.884 1.372 53 HA VAL 8 HA VAL 8 -1.827 13.268 4.169 54 HB VAL 8 HB VAL 8 -0.214 11.052 2.866 55 HG11 VAL 8 1HG1 VAL 8 0.377 11.092 5.229 56 HG12 VAL 8 2HG1 VAL 8 -1.338 11.228 5.690 57 HG13 VAL 8 3HG1 VAL 8 -0.719 9.747 4.927 58 HG21 VAL 8 3HG2 VAL 8 -2.314 9.730 3.248 59 HG22 VAL 8 1HG2 VAL 8 -3.121 11.214 3.787 60 HG23 VAL 8 2HG2 VAL 8 -2.553 11.057 2.110 61 H THR 9 H THR 9 0.964 13.902 2.230 62 HA THR 9 HA THR 9 2.524 14.768 4.653 63 HB THR 9 HB THR 9 4.565 13.930 3.805 64 HG1 THR 9 HG1 THR 9 4.735 12.918 1.852 65 HG21 THR 9 3HG2 THR 9 4.240 11.534 3.787 66 HG22 THR 9 1HG2 THR 9 2.540 11.696 3.325 67 HG23 THR 9 2HG2 THR 9 3.087 12.228 4.933 68 H GLY 10 H GLY 10 1.965 15.213 1.224 69 HA2 GLY 10 2HA GLY 10 1.769 17.445 0.212 70 HA3 GLY 10 3HA GLY 10 2.833 18.091 1.449 71 H GLU 11 H GLU 11 4.185 15.165 0.432 72 HA GLU 11 HA GLU 11 6.181 16.494 -1.214 73 HB2 GLU 11 2HB GLU 11 5.742 13.699 -0.161 74 HB3 GLU 11 3HB GLU 11 7.015 14.025 -1.350 75 HG2 GLU 11 2HG GLU 11 6.726 15.545 1.255 76 HG3 GLU 11 3HG GLU 11 7.722 14.097 1.072 77 H VAL 12 H VAL 12 6.742 16.197 -3.236 78 HA VAL 12 HA VAL 12 4.758 15.028 -5.136 79 HB VAL 12 HB VAL 12 4.216 17.262 -5.236 80 HG11 VAL 12 1HG1 VAL 12 7.157 18.005 -5.479 81 HG12 VAL 12 2HG1 VAL 12 5.787 19.119 -5.657 82 HG13 VAL 12 3HG1 VAL 12 6.084 18.345 -4.101 83 HG21 VAL 12 3HG2 VAL 12 4.592 16.151 -7.470 84 HG22 VAL 12 1HG2 VAL 12 4.682 17.919 -7.489 85 HG23 VAL 12 2HG2 VAL 12 6.170 16.956 -7.542 86 H SER 13 H SER 13 5.492 13.637 -6.465 87 HA SER 13 HA SER 13 8.270 13.916 -7.583 88 HB2 SER 13 2HB SER 13 8.077 11.998 -5.975 89 HB3 SER 13 3HB SER 13 6.866 11.287 -7.063 90 HG SER 13 HG SER 13 8.977 10.501 -7.444 91 H ASP 14 H ASP 14 8.529 13.028 -9.756 92 HA ASP 14 HA ASP 14 6.198 13.366 -11.524 93 HB2 ASP 14 2HB ASP 14 8.497 14.074 -12.170 94 HB3 ASP 14 3HB ASP 14 9.020 12.389 -12.101 95 H ASP 15 H ASP 15 7.892 10.739 -9.936 96 HA ASP 15 HA ASP 15 6.443 8.613 -11.344 97 HB2 ASP 15 2HB ASP 15 8.525 8.392 -9.146 98 HB3 ASP 15 3HB ASP 15 8.008 7.152 -10.264 99 H ASN 16 H ASN 16 4.894 10.446 -9.564 100 HA ASN 16 HA ASN 16 5.047 9.508 -6.941 101 HB2 ASN 16 2HB ASN 16 3.853 11.731 -8.214 102 HB3 ASN 16 3HB ASN 16 2.524 10.925 -7.435 103 HD21 ASN 16 1HD2 ASN 16 2.893 13.339 -6.373 104 HD22 ASN 16 2HD2 ASN 16 3.710 13.162 -4.817 105 H LEU 17 H LEU 17 3.637 8.641 -5.493 106 HA LEU 17 HA LEU 17 2.547 6.124 -6.428 107 HB2 LEU 17 2HB LEU 17 2.947 7.187 -3.579 108 HB3 LEU 17 3HB LEU 17 2.678 5.517 -4.045 109 HG LEU 17 HG LEU 17 5.112 7.205 -4.749 110 HD11 LEU 17 1HD1 LEU 17 4.726 4.958 -2.797 111 HD12 LEU 17 2HD1 LEU 17 5.018 6.617 -2.424 112 HD13 LEU 17 3HD1 LEU 17 6.289 5.660 -3.204 113 HD21 LEU 17 3HD2 LEU 17 5.874 4.715 -5.342 114 HD22 LEU 17 1HD2 LEU 17 5.062 5.733 -6.539 115 HD23 LEU 17 2HD2 LEU 17 4.161 4.494 -5.655 116 H LYS 18 H LYS 18 0.564 5.211 -5.374 117 HA LYS 18 HA LYS 18 -1.544 7.244 -4.968 118 HB2 LYS 18 2HB LYS 18 -1.896 5.024 -7.008 119 HB3 LYS 18 3HB LYS 18 -3.049 6.289 -6.544 120 HG2 LYS 18 2HG LYS 18 -1.458 8.017 -7.430 121 HG3 LYS 18 3HG LYS 18 -0.450 6.698 -8.046 122 HD2 LYS 18 2HD LYS 18 -1.765 7.416 -9.878 123 HD3 LYS 18 3HD LYS 18 -2.473 5.882 -9.351 124 HE2 LYS 18 2HE LYS 18 -4.194 7.221 -8.041 125 HE3 LYS 18 3HE LYS 18 -3.489 8.697 -8.705 126 HZ1 LYS 18 3HZ LYS 18 -5.417 7.952 -9.990 127 HZ2 LYS 18 1HZ LYS 18 -4.720 6.518 -10.317 128 HZ3 LYS 18 2HZ LYS 18 -4.083 7.895 -10.933 129 H LEU 19 H LEU 19 -3.529 6.506 -4.154 130 HA LEU 19 HA LEU 19 -3.132 4.799 -1.904 131 HB2 LEU 19 2HB LEU 19 -4.479 6.951 -2.175 132 HB3 LEU 19 3HB LEU 19 -5.754 6.014 -2.896 133 HG LEU 19 HG LEU 19 -4.849 5.013 -0.207 134 HD11 LEU 19 1HD1 LEU 19 -6.014 6.796 1.023 135 HD12 LEU 19 2HD1 LEU 19 -6.223 7.717 -0.486 136 HD13 LEU 19 3HD1 LEU 19 -4.599 7.421 0.168 137 HD21 LEU 19 3HD2 LEU 19 -7.208 4.791 0.193 138 HD22 LEU 19 1HD2 LEU 19 -6.973 4.261 -1.481 139 HD23 LEU 19 2HD2 LEU 19 -7.619 5.871 -1.148 140 H ALA 20 H ALA 20 -5.083 3.238 -1.223 141 HA ALA 20 HA ALA 20 -4.615 0.849 -2.708 142 HB1 ALA 20 3HB ALA 20 -6.697 1.397 -0.563 143 HB2 ALA 20 1HB ALA 20 -6.099 -0.198 -1.090 144 HB3 ALA 20 2HB ALA 20 -5.004 0.929 -0.272 145 H GLY 21 H GLY 21 -6.897 -0.615 -3.065 146 HA2 GLY 21 2HA GLY 21 -8.960 0.841 -4.470 147 HA3 GLY 21 3HA GLY 21 -7.909 -0.073 -5.562 148 H GLY 22 H GLY 22 -7.366 -2.329 -4.570 149 HA2 GLY 22 2HA GLY 22 -7.978 -3.947 -2.866 150 HA3 GLY 22 3HA GLY 22 -9.682 -3.640 -3.168 151 H LYS 23 H LYS 23 -6.810 -4.413 -5.202 152 HA LYS 23 HA LYS 23 -8.532 -5.738 -7.156 153 HB2 LYS 23 2HB LYS 23 -5.498 -5.554 -7.104 154 HB3 LYS 23 3HB LYS 23 -6.476 -6.148 -8.441 155 HG2 LYS 23 2HG LYS 23 -7.599 -3.914 -8.576 156 HG3 LYS 23 3HG LYS 23 -6.486 -3.315 -7.325 157 HD2 LYS 23 2HD LYS 23 -4.551 -3.888 -8.756 158 HD3 LYS 23 3HD LYS 23 -5.626 -4.491 -10.020 159 HE2 LYS 23 2HE LYS 23 -5.629 -1.634 -8.957 160 HE3 LYS 23 3HE LYS 23 -4.700 -2.158 -10.361 161 HZ1 LYS 23 3HZ LYS 23 -6.812 -1.217 -11.060 162 HZ2 LYS 23 1HZ LYS 23 -7.665 -2.280 -10.164 163 HZ3 LYS 23 2HZ LYS 23 -6.790 -2.800 -11.442 164 H LEU 24 H LEU 24 -6.273 -7.008 -4.776 165 HA LEU 24 HA LEU 24 -7.382 -9.700 -5.002 166 HB2 LEU 24 2HB LEU 24 -5.547 -9.508 -6.771 167 HB3 LEU 24 3HB LEU 24 -4.399 -9.222 -5.464 168 HG LEU 24 HG LEU 24 -4.810 -11.487 -4.574 169 HD11 LEU 24 1HD1 LEU 24 -7.163 -11.875 -5.221 170 HD12 LEU 24 2HD1 LEU 24 -6.131 -13.125 -5.910 171 HD13 LEU 24 3HD1 LEU 24 -6.714 -11.799 -6.939 172 HD21 LEU 24 3HD2 LEU 24 -3.852 -12.752 -6.454 173 HD22 LEU 24 1HD2 LEU 24 -3.075 -11.166 -6.274 174 HD23 LEU 24 2HD2 LEU 24 -4.266 -11.434 -7.567 175 H VAL 25 H VAL 25 -6.552 -11.110 -3.194 176 HA VAL 25 HA VAL 25 -6.265 -9.457 -0.781 177 HB VAL 25 HB VAL 25 -6.941 -12.390 -1.159 178 HG11 VAL 25 1HG1 VAL 25 -6.572 -10.849 1.448 179 HG12 VAL 25 2HG1 VAL 25 -7.388 -12.416 1.308 180 HG13 VAL 25 3HG1 VAL 25 -5.681 -12.301 0.925 181 HG21 VAL 25 3HG2 VAL 25 -8.497 -10.007 -0.049 182 HG22 VAL 25 1HG2 VAL 25 -8.772 -10.785 -1.625 183 HG23 VAL 25 2HG2 VAL 25 -9.088 -11.671 -0.124 184 H LEU 26 H LEU 26 -4.734 -9.363 0.496 185 HA LEU 26 HA LEU 26 -2.299 -11.062 0.431 186 HB2 LEU 26 2HB LEU 26 -2.457 -8.039 0.286 187 HB3 LEU 26 3HB LEU 26 -1.080 -8.876 0.973 188 HG LEU 26 HG LEU 26 -1.043 -10.263 -1.237 189 HD11 LEU 26 1HD1 LEU 26 -2.434 -7.694 -2.180 190 HD12 LEU 26 2HD1 LEU 26 -3.137 -9.299 -2.307 191 HD13 LEU 26 3HD1 LEU 26 -1.717 -8.936 -3.244 192 HD21 LEU 26 3HD2 LEU 26 0.238 -8.283 -2.363 193 HD22 LEU 26 1HD2 LEU 26 0.813 -9.000 -0.874 194 HD23 LEU 26 2HD2 LEU 26 -0.095 -7.471 -0.818 195 H SER 27 H SER 27 -1.071 -11.159 2.502 196 HA SER 27 HA SER 27 -2.756 -10.878 4.876 197 HB2 SER 27 2HB SER 27 -0.789 -11.926 5.918 198 HB3 SER 27 3HB SER 27 -1.266 -12.829 4.477 199 HG SER 27 HG SER 27 1.012 -12.386 4.617 200 H LYS 28 H LYS 28 -1.267 -10.013 6.771 201 HA LYS 28 HA LYS 28 -0.616 -7.236 6.662 202 HB2 LYS 28 2HB LYS 28 -0.919 -8.760 8.658 203 HB3 LYS 28 3HB LYS 28 0.702 -9.391 8.368 204 HG2 LYS 28 2HG LYS 28 1.651 -7.170 8.713 205 HG3 LYS 28 3HG LYS 28 0.025 -6.456 8.861 206 HD2 LYS 28 2HD LYS 28 -0.343 -7.879 10.905 207 HD3 LYS 28 3HD LYS 28 1.326 -8.472 10.741 208 HE2 LYS 28 2HE LYS 28 2.094 -6.053 10.819 209 HE3 LYS 28 3HE LYS 28 0.422 -5.587 11.178 210 HZ1 LYS 28 3HZ LYS 28 1.797 -5.849 13.195 211 HZ2 LYS 28 1HZ LYS 28 2.058 -7.423 12.858 212 HZ3 LYS 28 2HZ LYS 28 0.548 -6.898 13.222 213 H GLU 29 H GLU 29 1.395 -10.077 6.012 214 HA GLU 29 HA GLU 29 3.809 -8.516 5.595 215 HB2 GLU 29 2HB GLU 29 3.225 -11.448 5.139 216 HB3 GLU 29 3HB GLU 29 4.806 -10.688 4.921 217 HG2 GLU 29 2HG GLU 29 4.744 -9.929 7.309 218 HG3 GLU 29 3HG GLU 29 3.230 -10.808 7.529 219 H GLY 30 H GLY 30 1.337 -10.070 3.480 220 HA2 GLY 30 2HA GLY 30 2.606 -9.498 0.989 221 HA3 GLY 30 3HA GLY 30 0.883 -9.729 1.319 222 H ALA 31 H ALA 31 0.289 -7.508 3.008 223 HA ALA 31 HA ALA 31 0.093 -5.416 1.102 224 HB1 ALA 31 3HB ALA 31 -0.913 -4.125 2.954 225 HB2 ALA 31 1HB ALA 31 -1.478 -5.799 3.006 226 HB3 ALA 31 2HB ALA 31 -0.223 -5.243 4.136 227 H GLU 32 H GLU 32 2.325 -5.875 3.919 228 HA GLU 32 HA GLU 32 3.687 -3.383 3.312 229 HB2 GLU 32 2HB GLU 32 5.389 -3.886 4.789 230 HB3 GLU 32 3HB GLU 32 3.840 -4.404 5.460 231 HG2 GLU 32 2HG GLU 32 4.325 -6.686 4.974 232 HG3 GLU 32 3HG GLU 32 5.802 -6.290 4.086 233 H GLN 33 H GLN 33 4.022 -6.655 1.897 234 HA GLN 33 HA GLN 33 6.529 -6.032 0.597 235 HB2 GLN 33 2HB GLN 33 5.755 -8.370 0.952 236 HB3 GLN 33 3HB GLN 33 4.463 -8.100 -0.221 237 HG2 GLN 33 2HG GLN 33 6.358 -9.254 -1.269 238 HG3 GLN 33 3HG GLN 33 6.130 -7.675 -2.000 239 HE21 GLN 33 1HE2 GLN 33 8.238 -6.974 -2.593 240 HE22 GLN 33 2HE2 GLN 33 9.605 -7.091 -1.488 241 H ILE 34 H ILE 34 3.076 -5.504 -0.232 242 HA ILE 34 HA ILE 34 3.625 -4.371 -2.848 243 HB ILE 34 HB ILE 34 1.400 -3.508 -0.984 244 HG12 ILE 34 2HG1 ILE 34 1.310 -5.498 -3.293 245 HG13 ILE 34 3HG1 ILE 34 1.469 -5.990 -1.613 246 HG21 ILE 34 1HG2 ILE 34 1.935 -3.176 -3.986 247 HG22 ILE 34 2HG2 ILE 34 0.432 -2.666 -3.172 248 HG23 ILE 34 3HG2 ILE 34 1.954 -1.897 -2.784 249 HD11 ILE 34 3HD1 ILE 34 -0.680 -4.988 -1.026 250 HD12 ILE 34 1HD1 ILE 34 -0.847 -4.278 -2.637 251 HD13 ILE 34 2HD1 ILE 34 -0.908 -6.023 -2.452 252 H ILE 35 H ILE 35 3.631 -2.871 0.472 253 HA ILE 35 HA ILE 35 4.360 -0.321 -0.493 254 HB ILE 35 HB ILE 35 4.358 -1.536 2.091 255 HG12 ILE 35 2HG1 ILE 35 3.090 0.452 1.388 256 HG13 ILE 35 3HG1 ILE 35 4.127 0.832 2.780 257 HG21 ILE 35 1HG2 ILE 35 6.096 -0.330 3.310 258 HG22 ILE 35 2HG2 ILE 35 6.780 -1.545 2.241 259 HG23 ILE 35 3HG2 ILE 35 6.854 0.174 1.792 260 HD11 ILE 35 3HD1 ILE 35 5.536 2.200 1.585 261 HD12 ILE 35 1HD1 ILE 35 4.995 1.595 -0.009 262 HD13 ILE 35 2HD1 ILE 35 3.929 2.573 0.960 263 H SER 36 H SER 36 6.431 -3.086 0.031 264 HA SER 36 HA SER 36 8.913 -1.705 -0.562 265 HB2 SER 36 2HB SER 36 8.096 -4.616 -0.738 266 HB3 SER 36 3HB SER 36 9.730 -4.039 -1.130 267 HG SER 36 HG SER 36 8.336 -3.737 1.346 268 H GLU 37 H GLU 37 6.535 -3.409 -2.704 269 HA GLU 37 HA GLU 37 8.002 -2.814 -5.134 270 HB2 GLU 37 2HB GLU 37 4.990 -3.134 -4.917 271 HB3 GLU 37 3HB GLU 37 5.993 -3.302 -6.346 272 HG2 GLU 37 2HG GLU 37 5.680 -5.195 -4.025 273 HG3 GLU 37 3HG GLU 37 5.386 -5.483 -5.719 274 H ILE 38 H ILE 38 5.342 -1.030 -3.498 275 HA ILE 38 HA ILE 38 5.082 1.032 -5.427 276 HB ILE 38 HB ILE 38 4.322 0.666 -2.518 277 HG12 ILE 38 2HG1 ILE 38 2.765 0.970 -5.148 278 HG13 ILE 38 3HG1 ILE 38 3.069 -0.546 -4.315 279 HG21 ILE 38 1HG2 ILE 38 2.995 2.710 -2.575 280 HG22 ILE 38 2HG2 ILE 38 4.733 2.923 -2.520 281 HG23 ILE 38 3HG2 ILE 38 3.834 3.169 -4.060 282 HD11 ILE 38 3HD1 ILE 38 1.230 1.719 -3.443 283 HD12 ILE 38 1HD1 ILE 38 0.814 0.050 -3.832 284 HD13 ILE 38 2HD1 ILE 38 1.719 0.409 -2.343 285 H GLN 39 H GLN 39 6.890 1.123 -2.313 286 HA GLN 39 HA GLN 39 8.040 3.710 -2.829 287 HB2 GLN 39 2HB GLN 39 8.881 1.431 -0.991 288 HB3 GLN 39 3HB GLN 39 9.754 2.951 -1.194 289 HG2 GLN 39 2HG GLN 39 7.515 4.132 -0.570 290 HG3 GLN 39 3HG GLN 39 6.996 2.572 0.028 291 HE21 GLN 39 1HE2 GLN 39 7.407 5.013 1.566 292 HE22 GLN 39 2HE2 GLN 39 8.579 4.602 2.793 293 H ASN 40 H ASN 40 9.085 0.403 -3.719 294 HA ASN 40 HA ASN 40 11.609 1.207 -4.878 295 HB2 ASN 40 2HB ASN 40 11.179 -1.104 -4.447 296 HB3 ASN 40 3HB ASN 40 9.743 -1.107 -5.467 297 HD21 ASN 40 1HD2 ASN 40 13.282 -0.299 -5.843 298 HD22 ASN 40 2HD2 ASN 40 13.387 -1.202 -7.344 299 H GLN 41 H GLN 41 8.269 1.282 -6.353 300 HA GLN 41 HA GLN 41 9.232 2.242 -8.897 301 HB2 GLN 41 2HB GLN 41 6.517 2.603 -7.558 302 HB3 GLN 41 3HB GLN 41 6.914 3.080 -9.209 303 HG2 GLN 41 2HG GLN 41 7.557 0.706 -9.706 304 HG3 GLN 41 3HG GLN 41 6.996 0.239 -8.115 305 HE21 GLN 41 1HE2 GLN 41 5.899 1.521 -11.276 306 HE22 GLN 41 2HE2 GLN 41 4.214 1.098 -11.007 307 H LEU 42 H LEU 42 8.218 4.053 -5.924 308 HA LEU 42 HA LEU 42 8.748 6.619 -7.129 309 HB2 LEU 42 2HB LEU 42 7.479 5.994 -5.013 310 HB3 LEU 42 3HB LEU 42 8.967 6.002 -4.147 311 HG LEU 42 HG LEU 42 7.600 8.001 -3.849 312 HD11 LEU 42 1HD1 LEU 42 10.026 8.968 -5.373 313 HD12 LEU 42 2HD1 LEU 42 10.133 8.210 -3.771 314 HD13 LEU 42 3HD1 LEU 42 9.204 9.706 -3.997 315 HD21 LEU 42 3HD2 LEU 42 8.087 8.749 -6.739 316 HD22 LEU 42 1HD2 LEU 42 7.098 9.590 -5.512 317 HD23 LEU 42 2HD2 LEU 42 6.600 8.009 -6.142 318 H GLN 43 H GLN 43 10.889 4.290 -5.658 319 HA GLN 43 HA GLN 43 13.082 6.254 -5.232 320 HB2 GLN 43 2HB GLN 43 12.464 4.593 -3.536 321 HB3 GLN 43 3HB GLN 43 12.866 3.281 -4.650 322 HG2 GLN 43 2HG GLN 43 15.246 4.021 -4.634 323 HG3 GLN 43 3HG GLN 43 14.821 5.350 -3.549 324 HE21 GLN 43 1HE2 GLN 43 14.771 1.745 -3.816 325 HE22 GLN 43 2HE2 GLN 43 14.932 1.493 -2.074 326 H ASN 44 H ASN 44 12.540 3.403 -7.341 327 HA ASN 44 HA ASN 44 15.275 3.768 -8.501 328 HB2 ASN 44 2HB ASN 44 13.637 1.252 -8.024 329 HB3 ASN 44 3HB ASN 44 15.256 1.302 -8.711 330 HD21 ASN 44 1HD2 ASN 44 16.976 2.408 -7.276 331 HD22 ASN 44 2HD2 ASN 44 16.863 2.022 -5.570 332 H LEU 45 H LEU 45 12.240 4.435 -9.504 333 HA LEU 45 HA LEU 45 12.490 3.319 -12.237 334 HB2 LEU 45 2HB LEU 45 10.327 3.473 -10.981 335 HB3 LEU 45 3HB LEU 45 10.450 5.233 -11.062 336 HG LEU 45 HG LEU 45 10.204 5.173 -13.504 337 HD11 LEU 45 1HD1 LEU 45 9.592 3.036 -14.640 338 HD12 LEU 45 2HD1 LEU 45 10.019 2.144 -13.161 339 HD13 LEU 45 3HD1 LEU 45 11.263 3.032 -14.073 340 HD21 LEU 45 3HD2 LEU 45 8.128 3.459 -12.078 341 HD22 LEU 45 1HD2 LEU 45 7.887 4.376 -13.584 342 HD23 LEU 45 2HD2 LEU 45 8.198 5.234 -12.066 343 H LYS 46 H LYS 46 13.740 5.972 -10.578 344 HA LYS 46 HA LYS 46 13.672 8.021 -12.644 345 HB2 LYS 46 2HB LYS 46 15.222 7.784 -10.027 346 HB3 LYS 46 3HB LYS 46 15.206 9.209 -11.073 347 HG2 LYS 46 2HG LYS 46 12.763 9.412 -10.795 348 HG3 LYS 46 3HG LYS 46 12.750 8.005 -9.711 349 HD2 LYS 46 2HD LYS 46 14.293 9.208 -8.166 350 HD3 LYS 46 3HD LYS 46 14.215 10.636 -9.206 351 HE2 LYS 46 2HE LYS 46 11.861 9.324 -7.765 352 HE3 LYS 46 3HE LYS 46 12.711 10.776 -7.228 353 HZ1 LYS 46 3HZ LYS 46 10.717 11.399 -8.416 354 HZ2 LYS 46 1HZ LYS 46 11.109 10.499 -9.714 355 HZ3 LYS 46 2HZ LYS 46 11.996 11.840 -9.345 356 H1 MET 1 1H MET 1 -2.653 -20.637 -5.670 357 H2 MET 1 2H MET 1 -4.119 -20.329 -6.342 358 H3 MET 1 3H MET 1 -3.804 -21.798 -5.702 359 HA MET 1 HA MET 1 -3.638 -20.886 -3.487 360 HB2 MET 1 2HB MET 1 -4.329 -18.266 -4.894 361 HB3 MET 1 3HB MET 1 -4.466 -18.517 -3.157 362 HG2 MET 1 2HG MET 1 -1.904 -18.676 -4.777 363 HG3 MET 1 3HG MET 1 -2.392 -17.385 -3.684 364 HE1 MET 1 3HE MET 1 0.680 -18.976 -1.846 365 HE2 MET 1 1HE MET 1 0.463 -18.830 -3.603 366 HE3 MET 1 2HE MET 1 -0.021 -17.497 -2.532 367 H ASN 2 H ASN 2 -5.476 -20.823 -2.118 368 HA ASN 2 HA ASN 2 -8.171 -20.833 -3.379 369 HB2 ASN 2 2HB ASN 2 -7.098 -22.965 -1.474 370 HB3 ASN 2 3HB ASN 2 -8.779 -22.800 -1.962 371 HD21 ASN 2 1HD2 ASN 2 -5.830 -24.324 -2.747 372 HD22 ASN 2 2HD2 ASN 2 -6.315 -24.879 -4.342 373 H CYS 3 H CYS 3 -9.841 -20.228 -1.978 374 HA CYS 3 HA CYS 3 -10.812 -18.777 -0.534 375 HB2 CYS 3 2HB CYS 3 -8.856 -19.980 1.462 376 HB3 CYS 3 3HB CYS 3 -10.315 -19.067 1.870 377 HG CYS 3 HG CYS 3 -10.750 -21.617 2.274 378 H MET 4 H MET 4 -10.088 -17.059 1.468 379 HA MET 4 HA MET 4 -8.455 -15.068 0.042 380 HB2 MET 4 2HB MET 4 -10.061 -14.976 2.610 381 HB3 MET 4 3HB MET 4 -8.928 -13.705 2.166 382 HG2 MET 4 2HG MET 4 -10.103 -13.570 -0.089 383 HG3 MET 4 3HG MET 4 -11.301 -14.704 0.530 384 HE1 MET 4 3HE MET 4 -13.198 -13.021 -0.191 385 HE2 MET 4 1HE MET 4 -13.268 -11.320 0.318 386 HE3 MET 4 2HE MET 4 -11.976 -11.867 -0.775 387 H THR 5 H THR 5 -6.501 -15.809 -0.104 388 HA THR 5 HA THR 5 -4.755 -15.690 2.293 389 HB THR 5 HB THR 5 -5.221 -18.055 1.631 390 HG1 THR 5 HG1 THR 5 -3.035 -18.592 1.720 391 HG21 THR 5 3HG2 THR 5 -3.595 -17.402 -0.877 392 HG22 THR 5 1HG2 THR 5 -5.341 -17.729 -0.850 393 HG23 THR 5 2HG2 THR 5 -4.199 -18.995 -0.368 394 H CYS 6 H CYS 6 -2.623 -15.004 1.845 395 HA CYS 6 HA CYS 6 -2.411 -12.955 -0.101 396 HB2 CYS 6 2HB CYS 6 -1.244 -13.044 2.146 397 HB3 CYS 6 3HB CYS 6 -0.225 -14.310 1.496 398 HG CYS 6 HG CYS 6 1.194 -12.230 1.420 399 H GLN 7 H GLN 7 -2.122 -13.092 -2.261 400 HA GLN 7 HA GLN 7 -0.900 -15.447 -3.448 401 HB2 GLN 7 2HB GLN 7 -2.692 -14.201 -4.497 402 HB3 GLN 7 3HB GLN 7 -1.673 -12.762 -4.623 403 HG2 GLN 7 2HG GLN 7 -1.865 -13.895 -6.784 404 HG3 GLN 7 3HG GLN 7 -0.205 -13.908 -6.239 405 HE21 GLN 7 1HE2 GLN 7 0.721 -15.976 -5.530 406 HE22 GLN 7 2HE2 GLN 7 -0.038 -17.480 -6.064 407 H VAL 8 H VAL 8 0.518 -12.661 -2.040 408 HA VAL 8 HA VAL 8 3.036 -12.856 -3.615 409 HB VAL 8 HB VAL 8 2.083 -10.815 -1.583 410 HG11 VAL 8 1HG1 VAL 8 3.927 -9.388 -2.450 411 HG12 VAL 8 2HG1 VAL 8 4.516 -10.796 -1.571 412 HG13 VAL 8 3HG1 VAL 8 4.561 -10.783 -3.351 413 HG21 VAL 8 3HG2 VAL 8 1.926 -9.339 -3.615 414 HG22 VAL 8 1HG2 VAL 8 2.283 -10.748 -4.630 415 HG23 VAL 8 2HG2 VAL 8 0.789 -10.688 -3.666 416 H THR 9 H THR 9 1.824 -13.793 -0.541 417 HA THR 9 HA THR 9 4.554 -14.686 0.353 418 HB THR 9 HB THR 9 4.106 -14.184 2.638 419 HG1 THR 9 HG1 THR 9 2.177 -13.101 3.201 420 HG21 THR 9 3HG2 THR 9 3.253 -11.724 1.051 421 HG22 THR 9 1HG2 THR 9 4.936 -12.256 1.272 422 HG23 THR 9 2HG2 THR 9 3.969 -11.763 2.673 423 H GLY 10 H GLY 10 1.085 -15.266 0.488 424 HA2 GLY 10 2HA GLY 10 0.139 -17.509 0.227 425 HA3 GLY 10 3HA GLY 10 1.590 -18.201 0.932 426 H GLU 11 H GLU 11 0.784 -15.508 2.807 427 HA GLU 11 HA GLU 11 -0.408 -17.177 4.902 428 HB2 GLU 11 2HB GLU 11 0.621 -14.336 4.741 429 HB3 GLU 11 3HB GLU 11 -0.210 -14.935 6.179 430 HG2 GLU 11 2HG GLU 11 2.295 -16.096 4.924 431 HG3 GLU 11 3HG GLU 11 2.223 -15.104 6.387 432 H VAL 12 H VAL 12 -2.185 -16.763 6.039 433 HA VAL 12 HA VAL 12 -4.400 -15.258 4.700 434 HB VAL 12 HB VAL 12 -5.098 -17.442 4.421 435 HG11 VAL 12 1HG1 VAL 12 -3.595 -18.697 5.881 436 HG12 VAL 12 2HG1 VAL 12 -4.416 -18.059 7.325 437 HG13 VAL 12 3HG1 VAL 12 -5.270 -19.143 6.208 438 HG21 VAL 12 3HG2 VAL 12 -6.806 -15.884 5.454 439 HG22 VAL 12 1HG2 VAL 12 -7.124 -17.609 5.693 440 HG23 VAL 12 2HG2 VAL 12 -6.464 -16.639 7.022 441 H SER 13 H SER 13 -5.306 -13.653 5.816 442 HA SER 13 HA SER 13 -4.728 -13.443 8.751 443 HB2 SER 13 2HB SER 13 -4.628 -11.235 6.676 444 HB3 SER 13 3HB SER 13 -4.396 -11.073 8.429 445 HG SER 13 HG SER 13 -2.563 -12.500 8.189 446 H ASP 14 H ASP 14 -6.200 -12.286 10.013 447 HA ASP 14 HA ASP 14 -8.794 -13.149 9.618 448 HB2 ASP 14 2HB ASP 14 -8.163 -10.782 11.392 449 HB3 ASP 14 3HB ASP 14 -9.371 -12.036 11.638 450 H ASP 15 H ASP 15 -7.569 -9.969 8.860 451 HA ASP 15 HA ASP 15 -10.230 -9.110 7.839 452 HB2 ASP 15 2HB ASP 15 -9.216 -7.928 9.831 453 HB3 ASP 15 3HB ASP 15 -8.003 -7.268 8.741 454 H ASN 16 H ASN 16 -7.966 -10.543 6.420 455 HA ASN 16 HA ASN 16 -6.887 -10.438 4.336 456 HB2 ASN 16 2HB ASN 16 -8.807 -10.651 2.688 457 HB3 ASN 16 3HB ASN 16 -8.798 -11.717 4.085 458 HD21 ASN 16 1HD2 ASN 16 -10.063 -8.414 3.393 459 HD22 ASN 16 2HD2 ASN 16 -11.671 -8.759 4.045 460 H LEU 17 H LEU 17 -5.549 -8.576 4.343 461 HA LEU 17 HA LEU 17 -6.419 -5.978 3.480 462 HB2 LEU 17 2HB LEU 17 -3.621 -7.225 3.440 463 HB3 LEU 17 3HB LEU 17 -3.987 -5.516 3.314 464 HG LEU 17 HG LEU 17 -4.484 -7.272 5.738 465 HD11 LEU 17 1HD1 LEU 17 -2.179 -6.934 5.319 466 HD12 LEU 17 2HD1 LEU 17 -2.610 -5.941 6.719 467 HD13 LEU 17 3HD1 LEU 17 -2.373 -5.222 5.127 468 HD21 LEU 17 3HD2 LEU 17 -5.466 -4.557 5.060 469 HD22 LEU 17 1HD2 LEU 17 -4.558 -4.598 6.567 470 HD23 LEU 17 2HD2 LEU 17 -5.970 -5.643 6.352 471 H LYS 18 H LYS 18 -5.829 -4.955 1.431 472 HA LYS 18 HA LYS 18 -5.775 -6.885 -0.843 473 HB2 LYS 18 2HB LYS 18 -7.818 -4.661 -0.622 474 HB3 LYS 18 3HB LYS 18 -7.617 -5.829 -1.947 475 HG2 LYS 18 2HG LYS 18 -8.099 -7.682 -0.325 476 HG3 LYS 18 3HG LYS 18 -8.506 -6.440 0.882 477 HD2 LYS 18 2HD LYS 18 -10.256 -5.549 -0.641 478 HD3 LYS 18 3HD LYS 18 -9.875 -6.834 -1.813 479 HE2 LYS 18 2HE LYS 18 -10.444 -8.554 -0.119 480 HE3 LYS 18 3HE LYS 18 -10.791 -7.288 1.064 481 HZ1 LYS 18 3HZ LYS 18 -12.828 -8.077 0.000 482 HZ2 LYS 18 1HZ LYS 18 -12.275 -7.685 -1.485 483 HZ3 LYS 18 2HZ LYS 18 -12.592 -6.513 -0.391 484 H LEU 19 H LEU 19 -5.246 -6.254 -2.842 485 HA LEU 19 HA LEU 19 -2.994 -4.528 -2.889 486 HB2 LEU 19 2HB LEU 19 -3.423 -6.733 -4.072 487 HB3 LEU 19 3HB LEU 19 -4.353 -5.866 -5.258 488 HG LEU 19 HG LEU 19 -1.559 -4.825 -4.785 489 HD11 LEU 19 1HD1 LEU 19 -0.568 -6.607 -6.197 490 HD12 LEU 19 2HD1 LEU 19 -2.093 -7.521 -6.092 491 HD13 LEU 19 3HD1 LEU 19 -1.128 -7.206 -4.632 492 HD21 LEU 19 3HD2 LEU 19 -3.020 -5.610 -7.351 493 HD22 LEU 19 1HD2 LEU 19 -1.557 -4.617 -7.204 494 HD23 LEU 19 2HD2 LEU 19 -3.111 -3.997 -6.631 495 H ALA 20 H ALA 20 -2.555 -2.932 -4.700 496 HA ALA 20 HA ALA 20 -4.424 -0.769 -3.966 497 HB1 ALA 20 3HB ALA 20 -1.593 -0.626 -5.075 498 HB2 ALA 20 1HB ALA 20 -2.557 0.750 -4.502 499 HB3 ALA 20 2HB ALA 20 -2.051 -0.508 -3.359 500 H GLY 21 H GLY 21 -5.033 0.965 -5.475 501 HA2 GLY 21 2HA GLY 21 -4.952 0.255 -8.369 502 HA3 GLY 21 3HA GLY 21 -6.516 0.400 -7.556 503 H GLY 22 H GLY 22 -5.488 2.718 -5.890 504 HA2 GLY 22 2HA GLY 22 -4.398 4.738 -6.093 505 HA3 GLY 22 3HA GLY 22 -4.462 4.667 -7.852 506 H LYS 23 H LYS 23 -6.450 5.149 -4.946 507 HA LYS 23 HA LYS 23 -8.540 6.621 -6.395 508 HB2 LYS 23 2HB LYS 23 -8.113 6.210 -3.413 509 HB3 LYS 23 3HB LYS 23 -9.527 6.978 -4.138 510 HG2 LYS 23 2HG LYS 23 -10.096 4.895 -5.327 511 HG3 LYS 23 3HG LYS 23 -8.665 4.105 -4.655 512 HD2 LYS 23 2HD LYS 23 -9.578 4.555 -2.336 513 HD3 LYS 23 3HD LYS 23 -11.065 5.156 -3.103 514 HE2 LYS 23 2HE LYS 23 -11.287 2.934 -4.270 515 HE3 LYS 23 3HE LYS 23 -9.852 2.370 -3.399 516 HZ1 LYS 23 3HZ LYS 23 -11.074 2.721 -1.310 517 HZ2 LYS 23 1HZ LYS 23 -11.896 1.689 -2.272 518 HZ3 LYS 23 2HZ LYS 23 -12.397 3.233 -2.122 519 H LEU 24 H LEU 24 -5.675 7.500 -4.639 520 HA LEU 24 HA LEU 24 -5.928 10.297 -5.434 521 HB2 LEU 24 2HB LEU 24 -7.108 9.936 -3.147 522 HB3 LEU 24 3HB LEU 24 -5.514 9.589 -2.494 523 HG LEU 24 HG LEU 24 -4.747 11.872 -3.046 524 HD11 LEU 24 1HD1 LEU 24 -7.583 12.295 -4.091 525 HD12 LEU 24 2HD1 LEU 24 -6.085 12.424 -5.040 526 HD13 LEU 24 3HD1 LEU 24 -6.414 13.591 -3.763 527 HD21 LEU 24 3HD2 LEU 24 -5.812 11.447 -0.883 528 HD22 LEU 24 1HD2 LEU 24 -7.415 11.776 -1.582 529 HD23 LEU 24 2HD2 LEU 24 -6.211 13.072 -1.469 530 H VAL 25 H VAL 25 -3.896 11.469 -5.111 531 HA VAL 25 HA VAL 25 -1.569 9.692 -5.451 532 HB VAL 25 HB VAL 25 -1.892 12.689 -5.916 533 HG11 VAL 25 1HG1 VAL 25 0.439 12.320 -5.288 534 HG12 VAL 25 2HG1 VAL 25 0.528 10.894 -6.350 535 HG13 VAL 25 3HG1 VAL 25 0.339 12.521 -7.031 536 HG21 VAL 25 3HG2 VAL 25 -1.600 12.019 -8.283 537 HG22 VAL 25 1HG2 VAL 25 -1.518 10.320 -7.805 538 HG23 VAL 25 2HG2 VAL 25 -3.022 11.245 -7.579 539 H LEU 26 H LEU 26 0.019 9.442 -4.243 540 HA LEU 26 HA LEU 26 0.622 11.054 -1.821 541 HB2 LEU 26 2HB LEU 26 0.183 8.061 -1.915 542 HB3 LEU 26 3HB LEU 26 1.190 8.843 -0.710 543 HG LEU 26 HG LEU 26 -0.846 10.396 -0.249 544 HD11 LEU 26 1HD1 LEU 26 -3.055 9.186 -0.483 545 HD12 LEU 26 2HD1 LEU 26 -2.239 7.922 -1.441 546 HD13 LEU 26 3HD1 LEU 26 -2.413 9.558 -2.057 547 HD21 LEU 26 3HD2 LEU 26 -0.236 9.114 1.513 548 HD22 LEU 26 1HD2 LEU 26 -0.469 7.582 0.639 549 HD23 LEU 26 2HD2 LEU 26 -1.853 8.513 1.251 550 H SER 27 H SER 27 2.952 10.807 -1.060 551 HA SER 27 HA SER 27 4.769 9.949 -3.270 552 HB2 SER 27 2HB SER 27 4.927 12.309 -2.452 553 HB3 SER 27 3HB SER 27 5.330 11.675 -0.853 554 HG SER 27 HG SER 27 7.177 12.209 -2.260 555 H LYS 28 H LYS 28 6.975 9.398 -1.907 556 HA LYS 28 HA LYS 28 6.824 6.691 -1.171 557 HB2 LYS 28 2HB LYS 28 8.802 8.244 -1.763 558 HB3 LYS 28 3HB LYS 28 8.836 8.702 -0.067 559 HG2 LYS 28 2HG LYS 28 9.241 6.342 0.542 560 HG3 LYS 28 3HG LYS 28 9.151 5.876 -1.175 561 HD2 LYS 28 2HD LYS 28 11.107 7.446 -1.588 562 HD3 LYS 28 3HD LYS 28 11.211 7.677 0.172 563 HE2 LYS 28 2HE LYS 28 11.438 5.149 0.391 564 HE3 LYS 28 3HE LYS 28 11.509 5.063 -1.376 565 HZ1 LYS 28 3HZ LYS 28 13.485 6.584 -1.216 566 HZ2 LYS 28 1HZ LYS 28 13.745 5.123 -0.537 567 HZ3 LYS 28 2HZ LYS 28 13.456 6.429 0.409 568 H GLU 29 H GLU 29 6.653 9.538 0.906 569 HA GLU 29 HA GLU 29 6.559 7.967 3.372 570 HB2 GLU 29 2HB GLU 29 6.303 10.929 2.867 571 HB3 GLU 29 3HB GLU 29 6.242 10.177 4.469 572 HG2 GLU 29 2HG GLU 29 8.507 9.179 4.047 573 HG3 GLU 29 3HG GLU 29 8.587 10.067 2.524 574 H GLY 30 H GLY 30 4.182 9.689 1.263 575 HA2 GLY 30 2HA GLY 30 1.917 9.363 2.998 576 HA3 GLY 30 3HA GLY 30 1.951 9.607 1.241 577 H ALA 31 H ALA 31 3.271 7.311 0.315 578 HA ALA 31 HA ALA 31 1.245 5.343 0.445 579 HB1 ALA 31 3HB ALA 31 4.156 5.108 -0.474 580 HB2 ALA 31 1HB ALA 31 2.919 3.883 -0.768 581 HB3 ALA 31 2HB ALA 31 2.750 5.494 -1.495 582 H GLU 32 H GLU 32 4.474 5.538 2.083 583 HA GLU 32 HA GLU 32 4.043 3.040 3.409 584 HB2 GLU 32 2HB GLU 32 5.816 3.340 4.802 585 HB3 GLU 32 3HB GLU 32 6.206 4.055 3.242 586 HG2 GLU 32 2HG GLU 32 5.873 6.272 4.139 587 HG3 GLU 32 3HG GLU 32 5.314 5.645 5.682 588 H GLN 33 H GLN 33 2.846 6.336 4.200 589 HA GLN 33 HA GLN 33 1.981 5.646 6.893 590 HB2 GLN 33 2HB GLN 33 2.410 7.987 6.003 591 HB3 GLN 33 3HB GLN 33 0.912 7.836 5.083 592 HG2 GLN 33 2HG GLN 33 0.454 9.052 7.110 593 HG3 GLN 33 3HG GLN 33 -0.328 7.482 7.249 594 HE21 GLN 33 1HE2 GLN 33 2.578 9.369 8.275 595 HE22 GLN 33 2HE2 GLN 33 2.838 8.420 9.731 596 H ILE 34 H ILE 34 0.508 5.396 3.648 597 HA ILE 34 HA ILE 34 -2.099 4.480 4.611 598 HB ILE 34 HB ILE 34 -0.752 3.622 2.039 599 HG12 ILE 34 2HG1 ILE 34 -2.861 5.777 2.513 600 HG13 ILE 34 3HG1 ILE 34 -1.143 6.133 2.368 601 HG21 ILE 34 1HG2 ILE 34 -3.134 2.981 1.454 602 HG22 ILE 34 2HG2 ILE 34 -2.576 2.109 2.861 603 HG23 ILE 34 3HG2 ILE 34 -3.639 3.487 3.085 604 HD11 ILE 34 3HD1 ILE 34 -2.697 4.633 0.211 605 HD12 ILE 34 1HD1 ILE 34 -2.459 6.374 0.214 606 HD13 ILE 34 2HD1 ILE 34 -1.058 5.283 0.098 607 H ILE 35 H ILE 35 0.939 2.674 3.772 608 HA ILE 35 HA ILE 35 -0.201 0.210 4.580 609 HB ILE 35 HB ILE 35 2.250 1.050 3.587 610 HG12 ILE 35 2HG1 ILE 35 0.720 -0.688 2.736 611 HG13 ILE 35 3HG1 ILE 35 2.369 -1.260 2.817 612 HG21 ILE 35 1HG2 ILE 35 2.748 -0.753 6.000 613 HG22 ILE 35 2HG2 ILE 35 3.898 -0.464 4.695 614 HG23 ILE 35 3HG2 ILE 35 3.391 0.879 5.726 615 HD11 ILE 35 3HD1 ILE 35 1.948 -2.596 4.775 616 HD12 ILE 35 1HD1 ILE 35 0.299 -1.914 4.939 617 HD13 ILE 35 2HD1 ILE 35 0.710 -2.903 3.564 618 H SER 36 H SER 36 1.227 2.666 6.575 619 HA SER 36 HA SER 36 1.216 1.120 9.015 620 HB2 SER 36 2HB SER 36 2.289 3.402 8.688 621 HB3 SER 36 3HB SER 36 0.662 4.102 8.791 622 HG SER 36 HG SER 36 1.699 4.062 10.827 623 H GLU 37 H GLU 37 -1.329 3.094 7.346 624 HA GLU 37 HA GLU 37 -3.387 2.538 9.309 625 HB2 GLU 37 2HB GLU 37 -3.625 3.281 6.365 626 HB3 GLU 37 3HB GLU 37 -4.970 3.175 7.481 627 HG2 GLU 37 2HG GLU 37 -2.620 5.072 7.888 628 HG3 GLU 37 3HG GLU 37 -4.080 5.489 7.009 629 H ILE 38 H ILE 38 -2.591 0.885 6.176 630 HA ILE 38 HA ILE 38 -4.681 -1.009 6.272 631 HB ILE 38 HB ILE 38 -1.949 -0.896 4.953 632 HG12 ILE 38 2HG1 ILE 38 -4.806 -0.759 3.852 633 HG13 ILE 38 3HG1 ILE 38 -3.789 0.638 4.166 634 HG21 ILE 38 1HG2 ILE 38 -3.969 -3.088 4.602 635 HG22 ILE 38 2HG2 ILE 38 -2.555 -2.827 3.574 636 HG23 ILE 38 3HG2 ILE 38 -2.304 -3.192 5.267 637 HD11 ILE 38 3HD1 ILE 38 -3.697 0.215 1.811 638 HD12 ILE 38 1HD1 ILE 38 -2.124 -0.289 2.469 639 HD13 ILE 38 2HD1 ILE 38 -3.355 -1.499 2.034 640 H GLN 39 H GLN 39 -1.271 -1.421 7.330 641 HA GLN 39 HA GLN 39 -1.692 -4.053 8.403 642 HB2 GLN 39 2HB GLN 39 0.455 -1.954 8.912 643 HB3 GLN 39 3HB GLN 39 0.353 -3.522 9.722 644 HG2 GLN 39 2HG GLN 39 0.326 -4.549 7.321 645 HG3 GLN 39 3HG GLN 39 0.970 -2.997 6.805 646 HE21 GLN 39 1HE2 GLN 39 2.253 -5.697 6.826 647 HE22 GLN 39 2HE2 GLN 39 3.739 -5.458 7.725 648 H ASN 40 H ASN 40 -2.073 -0.807 9.832 649 HA ASN 40 HA ASN 40 -2.630 -1.765 12.508 650 HB2 ASN 40 2HB ASN 40 -2.039 0.548 12.074 651 HB3 ASN 40 3HB ASN 40 -3.479 0.778 11.085 652 HD21 ASN 40 1HD2 ASN 40 -5.267 1.603 12.150 653 HD22 ASN 40 2HD2 ASN 40 -5.455 1.572 13.896 654 H GLN 41 H GLN 41 -4.837 -1.465 9.605 655 HA GLN 41 HA GLN 41 -7.203 -2.125 11.155 656 HB2 GLN 41 2HB GLN 41 -6.590 -2.495 8.187 657 HB3 GLN 41 3HB GLN 41 -8.149 -2.793 8.958 658 HG2 GLN 41 2HG GLN 41 -8.151 -0.403 9.757 659 HG3 GLN 41 3HG GLN 41 -6.718 -0.113 8.798 660 HE21 GLN 41 1HE2 GLN 41 -10.179 -1.053 8.535 661 HE22 GLN 41 2HE2 GLN 41 -10.317 -0.539 6.860 662 H LEU 42 H LEU 42 -4.796 -4.069 9.337 663 HA LEU 42 HA LEU 42 -6.004 -6.586 9.959 664 HB2 LEU 42 2HB LEU 42 -4.204 -5.911 8.249 665 HB3 LEU 42 3HB LEU 42 -3.015 -6.164 9.483 666 HG LEU 42 HG LEU 42 -3.261 -8.023 7.899 667 HD11 LEU 42 1HD1 LEU 42 -4.264 -9.166 10.503 668 HD12 LEU 42 2HD1 LEU 42 -2.679 -8.371 10.412 669 HD13 LEU 42 3HD1 LEU 42 -3.019 -9.770 9.400 670 HD21 LEU 42 3HD2 LEU 42 -5.814 -7.611 7.662 671 HD22 LEU 42 1HD2 LEU 42 -5.974 -8.699 9.052 672 HD23 LEU 42 2HD2 LEU 42 -5.212 -9.248 7.535 673 H GLN 43 H GLN 43 -3.663 -4.666 11.813 674 HA GLN 43 HA GLN 43 -3.221 -6.669 13.838 675 HB2 GLN 43 2HB GLN 43 -1.693 -4.745 13.285 676 HB3 GLN 43 3HB GLN 43 -2.871 -3.649 14.003 677 HG2 GLN 43 2HG GLN 43 -1.120 -4.081 15.609 678 HG3 GLN 43 3HG GLN 43 -2.600 -4.814 16.199 679 HE21 GLN 43 1HE2 GLN 43 -1.145 -6.157 17.591 680 HE22 GLN 43 2HE2 GLN 43 -0.344 -7.544 16.863 681 H ASN 44 H ASN 44 -5.499 -3.904 13.644 682 HA ASN 44 HA ASN 44 -6.403 -4.159 16.359 683 HB2 ASN 44 2HB ASN 44 -6.366 -2.055 15.053 684 HB3 ASN 44 3HB ASN 44 -7.600 -2.695 13.968 685 HD21 ASN 44 1HD2 ASN 44 -9.709 -2.153 14.509 686 HD22 ASN 44 2HD2 ASN 44 -10.200 -1.651 16.118 687 H LEU 45 H LEU 45 -7.726 -5.454 13.295 688 HA LEU 45 HA LEU 45 -10.207 -6.337 14.549 689 HB2 LEU 45 2HB LEU 45 -9.955 -5.560 12.190 690 HB3 LEU 45 3HB LEU 45 -9.008 -6.987 11.838 691 HG LEU 45 HG LEU 45 -11.333 -7.086 11.034 692 HD11 LEU 45 1HD1 LEU 45 -11.037 -9.198 13.193 693 HD12 LEU 45 2HD1 LEU 45 -10.159 -9.219 11.646 694 HD13 LEU 45 3HD1 LEU 45 -11.927 -9.293 11.668 695 HD21 LEU 45 3HD2 LEU 45 -12.221 -7.184 13.942 696 HD22 LEU 45 1HD2 LEU 45 -13.238 -7.294 12.495 697 HD23 LEU 45 2HD2 LEU 45 -12.394 -5.780 12.861 698 H LYS 46 H LYS 46 -10.061 -7.858 16.062 699 HA LYS 46 HA LYS 46 -8.822 -10.500 15.506 700 HB2 LYS 46 2HB LYS 46 -8.281 -8.758 17.954 701 HB3 LYS 46 3HB LYS 46 -7.894 -10.472 17.876 702 HG2 LYS 46 2HG LYS 46 -6.735 -8.409 15.958 703 HG3 LYS 46 3HG LYS 46 -5.970 -8.873 17.463 704 HD2 LYS 46 2HD LYS 46 -5.442 -11.019 16.764 705 HD3 LYS 46 3HD LYS 46 -6.675 -11.077 15.504 706 HE2 LYS 46 2HE LYS 46 -4.447 -9.041 15.324 707 HE3 LYS 46 3HE LYS 46 -4.125 -10.723 14.871 708 HZ1 LYS 46 3HZ LYS 46 -4.974 -9.161 13.034 709 HZ2 LYS 46 1HZ LYS 46 -6.433 -9.274 13.733 710 HZ3 LYS 46 2HZ LYS 46 -5.720 -10.632 13.166 Start of MODEL 9 1 H1 MET 1 1H MET 1 -6.574 20.533 -7.908 2 H2 MET 1 2H MET 1 -6.427 19.728 -6.487 3 H3 MET 1 3H MET 1 -5.864 19.060 -7.876 4 HA MET 1 HA MET 1 -4.804 21.519 -6.642 5 HB2 MET 1 2HB MET 1 -3.597 18.711 -6.696 6 HB3 MET 1 3HB MET 1 -2.726 20.176 -6.252 7 HG2 MET 1 2HG MET 1 -3.324 19.165 -4.234 8 HG3 MET 1 3HG MET 1 -4.373 20.566 -4.402 9 HE1 MET 1 3HE MET 1 -6.489 17.971 -2.328 10 HE2 MET 1 1HE MET 1 -4.723 18.167 -2.275 11 HE3 MET 1 2HE MET 1 -5.776 19.599 -2.362 12 H ASN 2 H ASN 2 -2.979 22.463 -7.719 13 HA ASN 2 HA ASN 2 -3.067 22.284 -10.605 14 HB2 ASN 2 2HB ASN 2 -2.628 24.357 -9.274 15 HB3 ASN 2 3HB ASN 2 -1.076 23.686 -8.764 16 HD21 ASN 2 1HD2 ASN 2 0.689 24.085 -10.123 17 HD22 ASN 2 2HD2 ASN 2 0.517 24.736 -11.744 18 H CYS 3 H CYS 3 -0.988 20.834 -8.166 19 HA CYS 3 HA CYS 3 0.552 19.352 -10.258 20 HB2 CYS 3 2HB CYS 3 1.557 20.442 -7.588 21 HB3 CYS 3 3HB CYS 3 2.482 19.407 -8.688 22 HG CYS 3 HG CYS 3 3.373 21.860 -8.876 23 H MET 4 H MET 4 1.237 17.213 -9.634 24 HA MET 4 HA MET 4 -0.678 15.776 -7.945 25 HB2 MET 4 2HB MET 4 1.556 15.009 -9.812 26 HB3 MET 4 3HB MET 4 1.052 13.867 -8.579 27 HG2 MET 4 2HG MET 4 -1.290 14.050 -9.300 28 HG3 MET 4 3HG MET 4 -0.813 15.193 -10.565 29 HE1 MET 4 3HE MET 4 -2.167 13.630 -12.285 30 HE2 MET 4 1HE MET 4 -1.836 11.898 -12.505 31 HE3 MET 4 2HE MET 4 -2.535 12.480 -10.978 32 H THR 5 H THR 5 -0.518 16.317 -5.926 33 HA THR 5 HA THR 5 2.058 16.045 -4.428 34 HB THR 5 HB THR 5 1.290 18.353 -4.493 35 HG1 THR 5 HG1 THR 5 1.341 18.682 -2.306 36 HG21 THR 5 3HG2 THR 5 -0.765 19.071 -3.337 37 HG22 THR 5 1HG2 THR 5 -1.226 17.382 -3.033 38 HG23 THR 5 2HG2 THR 5 -1.182 18.017 -4.693 39 H CYS 6 H CYS 6 2.082 15.188 -2.406 40 HA CYS 6 HA CYS 6 0.223 13.033 -1.934 41 HB2 CYS 6 2HB CYS 6 2.644 12.996 -1.188 42 HB3 CYS 6 3HB CYS 6 2.222 14.228 -0.008 43 HG CYS 6 HG CYS 6 2.316 12.134 1.353 44 H GLN 7 H GLN 7 -1.824 13.112 -1.182 45 HA GLN 7 HA GLN 7 -2.820 15.418 0.237 46 HB2 GLN 7 2HB GLN 7 -4.191 14.040 -1.211 47 HB3 GLN 7 3HB GLN 7 -3.958 12.633 -0.168 48 HG2 GLN 7 2HG GLN 7 -6.171 13.561 0.199 49 HG3 GLN 7 3HG GLN 7 -5.224 13.755 1.653 50 HE21 GLN 7 1HE2 GLN 7 -4.453 15.966 2.195 51 HE22 GLN 7 2HE2 GLN 7 -5.304 17.352 1.503 52 H VAL 8 H VAL 8 -1.180 12.572 1.384 53 HA VAL 8 HA VAL 8 -2.170 12.859 4.167 54 HB VAL 8 HB VAL 8 -0.463 10.740 2.825 55 HG11 VAL 8 1HG1 VAL 8 -1.030 9.333 4.795 56 HG12 VAL 8 2HG1 VAL 8 0.038 10.671 5.200 57 HG13 VAL 8 3HG1 VAL 8 -1.695 10.764 5.607 58 HG21 VAL 8 3HG2 VAL 8 -3.408 10.788 3.633 59 HG22 VAL 8 1HG2 VAL 8 -2.773 10.726 1.975 60 HG23 VAL 8 2HG2 VAL 8 -2.542 9.353 3.055 61 H THR 9 H THR 9 0.595 13.742 2.369 62 HA THR 9 HA THR 9 2.092 14.483 4.869 63 HB THR 9 HB THR 9 4.202 13.849 4.002 64 HG1 THR 9 HG1 THR 9 4.455 12.957 1.995 65 HG21 THR 9 3HG2 THR 9 2.332 11.522 3.377 66 HG22 THR 9 1HG2 THR 9 2.850 11.989 5.014 67 HG23 THR 9 2HG2 THR 9 4.046 11.440 3.830 68 H GLY 10 H GLY 10 1.502 15.167 1.479 69 HA2 GLY 10 2HA GLY 10 1.213 17.423 0.628 70 HA3 GLY 10 3HA GLY 10 2.221 18.047 1.926 71 H GLU 11 H GLU 11 3.788 15.295 0.786 72 HA GLU 11 HA GLU 11 5.697 16.855 -0.774 73 HB2 GLU 11 2HB GLU 11 5.515 13.969 0.119 74 HB3 GLU 11 3HB GLU 11 6.779 14.514 -0.991 75 HG2 GLU 11 2HG GLU 11 6.223 15.623 1.771 76 HG3 GLU 11 3HG GLU 11 7.534 14.513 1.340 77 H VAL 12 H VAL 12 6.291 16.623 -2.765 78 HA VAL 12 HA VAL 12 4.411 15.400 -4.783 79 HB VAL 12 HB VAL 12 5.973 17.934 -4.748 80 HG11 VAL 12 1HG1 VAL 12 6.533 16.992 -6.965 81 HG12 VAL 12 2HG1 VAL 12 4.817 16.628 -7.260 82 HG13 VAL 12 3HG1 VAL 12 5.383 18.310 -7.173 83 HG21 VAL 12 3HG2 VAL 12 4.021 19.095 -5.325 84 HG22 VAL 12 1HG2 VAL 12 3.138 17.598 -5.629 85 HG23 VAL 12 2HG2 VAL 12 3.656 18.022 -3.970 86 H SER 13 H SER 13 5.315 13.667 -5.817 87 HA SER 13 HA SER 13 8.243 13.685 -6.374 88 HB2 SER 13 2HB SER 13 6.510 11.332 -5.573 89 HB3 SER 13 3HB SER 13 8.222 11.253 -6.052 90 HG SER 13 HG SER 13 8.683 12.609 -4.236 91 H ASP 14 H ASP 14 8.853 12.930 -8.340 92 HA ASP 14 HA ASP 14 7.164 13.555 -10.491 93 HB2 ASP 14 2HB ASP 14 9.005 12.602 -11.904 94 HB3 ASP 14 3HB ASP 14 9.484 13.828 -10.741 95 H ASP 15 H ASP 15 7.844 10.388 -9.129 96 HA ASP 15 HA ASP 15 6.375 9.038 -11.335 97 HB2 ASP 15 2HB ASP 15 8.564 8.175 -10.485 98 HB3 ASP 15 3HB ASP 15 7.755 7.734 -8.985 99 H ASN 16 H ASN 16 5.370 10.572 -8.673 100 HA ASN 16 HA ASN 16 3.533 10.462 -7.272 101 HB2 ASN 16 2HB ASN 16 1.580 10.871 -8.737 102 HB3 ASN 16 3HB ASN 16 3.019 11.793 -9.129 103 HD21 ASN 16 1HD2 ASN 16 4.267 11.148 -11.156 104 HD22 ASN 16 2HD2 ASN 16 3.314 10.371 -12.402 105 H LEU 17 H LEU 17 3.690 8.614 -5.964 106 HA LEU 17 HA LEU 17 2.537 6.073 -6.624 107 HB2 LEU 17 2HB LEU 17 3.083 7.308 -3.869 108 HB3 LEU 17 3HB LEU 17 2.832 5.611 -4.216 109 HG LEU 17 HG LEU 17 5.189 7.307 -5.074 110 HD11 LEU 17 1HD1 LEU 17 4.924 5.065 -3.074 111 HD12 LEU 17 2HD1 LEU 17 5.091 6.756 -2.712 112 HD13 LEU 17 3HD1 LEU 17 6.427 5.878 -3.476 113 HD21 LEU 17 3HD2 LEU 17 5.293 5.778 -6.796 114 HD22 LEU 17 1HD2 LEU 17 4.233 4.622 -5.990 115 HD23 LEU 17 2HD2 LEU 17 5.926 4.699 -5.542 116 H LYS 18 H LYS 18 0.603 5.158 -5.613 117 HA LYS 18 HA LYS 18 -1.530 7.177 -5.118 118 HB2 LYS 18 2HB LYS 18 -1.788 4.973 -7.184 119 HB3 LYS 18 3HB LYS 18 -2.960 6.252 -6.781 120 HG2 LYS 18 2HG LYS 18 -1.327 7.964 -7.531 121 HG3 LYS 18 3HG LYS 18 -0.246 6.647 -8.042 122 HD2 LYS 18 2HD LYS 18 -1.973 5.846 -9.637 123 HD3 LYS 18 3HD LYS 18 -3.037 7.171 -9.121 124 HE2 LYS 18 2HE LYS 18 -1.928 7.849 -11.163 125 HE3 LYS 18 3HE LYS 18 -1.329 8.822 -9.811 126 HZ1 LYS 18 3HZ LYS 18 0.114 6.533 -11.044 127 HZ2 LYS 18 1HZ LYS 18 0.642 7.395 -9.733 128 HZ3 LYS 18 2HZ LYS 18 0.505 8.134 -11.150 129 H LEU 19 H LEU 19 -3.442 6.592 -4.238 130 HA LEU 19 HA LEU 19 -3.162 4.771 -2.088 131 HB2 LEU 19 2HB LEU 19 -4.281 7.055 -2.219 132 HB3 LEU 19 3HB LEU 19 -5.671 6.283 -2.928 133 HG LEU 19 HG LEU 19 -4.723 5.150 -0.284 134 HD11 LEU 19 1HD1 LEU 19 -6.036 7.884 -0.546 135 HD12 LEU 19 2HD1 LEU 19 -4.435 7.523 0.138 136 HD13 LEU 19 3HD1 LEU 19 -5.886 6.948 0.963 137 HD21 LEU 19 3HD2 LEU 19 -7.112 5.015 0.150 138 HD22 LEU 19 1HD2 LEU 19 -6.840 4.390 -1.482 139 HD23 LEU 19 2HD2 LEU 19 -7.482 6.027 -1.261 140 H ALA 20 H ALA 20 -4.863 3.258 -1.318 141 HA ALA 20 HA ALA 20 -4.604 1.106 -3.275 142 HB1 ALA 20 3HB ALA 20 -5.387 1.014 -0.339 143 HB2 ALA 20 1HB ALA 20 -5.047 -0.394 -1.367 144 HB3 ALA 20 2HB ALA 20 -3.755 0.768 -1.003 145 H GLY 21 H GLY 21 -6.257 -0.158 -4.188 146 HA2 GLY 21 2HA GLY 21 -8.991 1.030 -4.062 147 HA3 GLY 21 3HA GLY 21 -8.296 0.091 -5.378 148 H GLY 22 H GLY 22 -7.356 -2.154 -4.183 149 HA2 GLY 22 2HA GLY 22 -7.859 -3.729 -2.454 150 HA3 GLY 22 3HA GLY 22 -9.584 -3.426 -2.619 151 H LYS 23 H LYS 23 -6.817 -4.286 -4.710 152 HA LYS 23 HA LYS 23 -8.635 -5.457 -6.677 153 HB2 LYS 23 2HB LYS 23 -6.914 -3.796 -7.210 154 HB3 LYS 23 3HB LYS 23 -5.639 -4.937 -6.772 155 HG2 LYS 23 2HG LYS 23 -6.185 -6.387 -8.594 156 HG3 LYS 23 3HG LYS 23 -7.727 -5.553 -8.881 157 HD2 LYS 23 2HD LYS 23 -6.147 -4.956 -10.619 158 HD3 LYS 23 3HD LYS 23 -6.540 -3.538 -9.637 159 HE2 LYS 23 2HE LYS 23 -4.415 -3.824 -8.379 160 HE3 LYS 23 3HE LYS 23 -4.028 -5.253 -9.351 161 HZ1 LYS 23 3HZ LYS 23 -4.346 -2.491 -10.408 162 HZ2 LYS 23 1HZ LYS 23 -3.997 -3.804 -11.319 163 HZ3 LYS 23 2HZ LYS 23 -2.925 -3.268 -10.210 164 H LEU 24 H LEU 24 -6.307 -6.827 -4.459 165 HA LEU 24 HA LEU 24 -7.392 -9.488 -4.860 166 HB2 LEU 24 2HB LEU 24 -5.476 -9.267 -6.564 167 HB3 LEU 24 3HB LEU 24 -4.382 -9.078 -5.190 168 HG LEU 24 HG LEU 24 -4.956 -11.355 -4.395 169 HD11 LEU 24 1HD1 LEU 24 -6.192 -12.896 -5.913 170 HD12 LEU 24 2HD1 LEU 24 -6.645 -11.512 -6.932 171 HD13 LEU 24 3HD1 LEU 24 -7.249 -11.643 -5.266 172 HD21 LEU 24 3HD2 LEU 24 -4.140 -11.226 -7.319 173 HD22 LEU 24 1HD2 LEU 24 -3.843 -12.565 -6.189 174 HD23 LEU 24 2HD2 LEU 24 -3.067 -10.996 -5.917 175 H VAL 25 H VAL 25 -6.666 -10.957 -3.042 176 HA VAL 25 HA VAL 25 -6.309 -9.362 -0.604 177 HB VAL 25 HB VAL 25 -7.023 -12.272 -1.064 178 HG11 VAL 25 1HG1 VAL 25 -5.737 -12.346 0.976 179 HG12 VAL 25 2HG1 VAL 25 -6.482 -10.845 1.569 180 HG13 VAL 25 3HG1 VAL 25 -7.431 -12.337 1.437 181 HG21 VAL 25 3HG2 VAL 25 -8.496 -9.911 0.202 182 HG22 VAL 25 1HG2 VAL 25 -8.816 -10.576 -1.418 183 HG23 VAL 25 2HG2 VAL 25 -9.137 -11.549 0.027 184 H LEU 26 H LEU 26 -4.752 -9.232 0.618 185 HA LEU 26 HA LEU 26 -2.377 -11.020 0.606 186 HB2 LEU 26 2HB LEU 26 -2.364 -7.995 0.410 187 HB3 LEU 26 3HB LEU 26 -1.021 -8.926 1.047 188 HG LEU 26 HG LEU 26 -1.102 -10.288 -1.160 189 HD11 LEU 26 1HD1 LEU 26 -1.797 -8.934 -3.151 190 HD12 LEU 26 2HD1 LEU 26 -2.456 -7.682 -2.060 191 HD13 LEU 26 3HD1 LEU 26 -3.195 -9.269 -2.181 192 HD21 LEU 26 3HD2 LEU 26 0.801 -9.070 -0.897 193 HD22 LEU 26 1HD2 LEU 26 -0.062 -7.517 -0.780 194 HD23 LEU 26 2HD2 LEU 26 0.176 -8.322 -2.344 195 H SER 27 H SER 27 -1.157 -11.058 2.692 196 HA SER 27 HA SER 27 -2.810 -10.238 5.033 197 HB2 SER 27 2HB SER 27 -1.953 -12.620 4.760 198 HB3 SER 27 3HB SER 27 -0.328 -11.949 5.000 199 HG SER 27 HG SER 27 -1.296 -12.625 6.987 200 H LYS 28 H LYS 28 -0.941 -9.839 6.850 201 HA LYS 28 HA LYS 28 -0.172 -7.139 6.641 202 HB2 LYS 28 2HB LYS 28 -0.162 -9.089 8.597 203 HB3 LYS 28 3HB LYS 28 1.565 -8.908 8.322 204 HG2 LYS 28 2HG LYS 28 1.271 -6.424 8.689 205 HG3 LYS 28 3HG LYS 28 -0.428 -6.720 9.075 206 HD2 LYS 28 2HD LYS 28 0.342 -8.255 10.934 207 HD3 LYS 28 3HD LYS 28 2.016 -7.816 10.545 208 HE2 LYS 28 2HE LYS 28 1.466 -5.415 10.990 209 HE3 LYS 28 3HE LYS 28 -0.185 -5.885 11.421 210 HZ1 LYS 28 3HZ LYS 28 0.797 -7.270 13.215 211 HZ2 LYS 28 1HZ LYS 28 1.152 -5.691 13.418 212 HZ3 LYS 28 2HZ LYS 28 2.290 -6.718 12.846 213 H GLU 29 H GLU 29 1.733 -10.013 5.869 214 HA GLU 29 HA GLU 29 4.125 -8.405 5.326 215 HB2 GLU 29 2HB GLU 29 3.651 -11.376 5.094 216 HB3 GLU 29 3HB GLU 29 5.168 -10.564 4.680 217 HG2 GLU 29 2HG GLU 29 5.285 -9.618 6.984 218 HG3 GLU 29 3HG GLU 29 3.835 -10.520 7.420 219 H GLY 30 H GLY 30 1.531 -9.961 3.413 220 HA2 GLY 30 2HA GLY 30 2.733 -9.555 0.829 221 HA3 GLY 30 3HA GLY 30 1.018 -9.734 1.239 222 H ALA 31 H ALA 31 0.481 -7.531 2.862 223 HA ALA 31 HA ALA 31 0.282 -5.422 0.992 224 HB1 ALA 31 3HB ALA 31 -1.287 -5.611 2.879 225 HB2 ALA 31 1HB ALA 31 0.035 -5.367 4.042 226 HB3 ALA 31 2HB ALA 31 -0.450 -4.045 2.975 227 H GLU 32 H GLU 32 2.561 -5.873 3.762 228 HA GLU 32 HA GLU 32 3.898 -3.411 3.173 229 HB2 GLU 32 2HB GLU 32 5.554 -3.828 4.649 230 HB3 GLU 32 3HB GLU 32 4.106 -4.600 5.287 231 HG2 GLU 32 2HG GLU 32 4.939 -6.769 4.524 232 HG3 GLU 32 3HG GLU 32 6.366 -6.030 3.827 233 H GLN 33 H GLN 33 4.262 -6.667 1.693 234 HA GLN 33 HA GLN 33 6.722 -6.003 0.290 235 HB2 GLN 33 2HB GLN 33 5.967 -8.350 0.708 236 HB3 GLN 33 3HB GLN 33 4.637 -8.089 -0.422 237 HG2 GLN 33 2HG GLN 33 6.475 -9.251 -1.535 238 HG3 GLN 33 3HG GLN 33 6.254 -7.668 -2.256 239 HE21 GLN 33 1HE2 GLN 33 8.376 -7.067 -2.938 240 HE22 GLN 33 2HE2 GLN 33 9.761 -7.177 -1.859 241 H ILE 34 H ILE 34 3.241 -5.526 -0.433 242 HA ILE 34 HA ILE 34 3.706 -4.537 -3.141 243 HB ILE 34 HB ILE 34 1.574 -3.483 -1.275 244 HG12 ILE 34 2HG1 ILE 34 1.277 -5.727 -3.314 245 HG13 ILE 34 3HG1 ILE 34 1.519 -6.012 -1.598 246 HG21 ILE 34 1HG2 ILE 34 1.760 -3.618 -4.338 247 HG22 ILE 34 2HG2 ILE 34 0.525 -2.748 -3.394 248 HG23 ILE 34 3HG2 ILE 34 2.186 -2.187 -3.422 249 HD11 ILE 34 3HD1 ILE 34 -0.539 -4.839 -1.015 250 HD12 ILE 34 1HD1 ILE 34 -0.778 -4.319 -2.686 251 HD13 ILE 34 2HD1 ILE 34 -0.914 -6.023 -2.284 252 H ILE 35 H ILE 35 3.631 -2.868 0.081 253 HA ILE 35 HA ILE 35 4.377 -0.384 -1.066 254 HB ILE 35 HB ILE 35 3.854 -1.326 1.492 255 HG12 ILE 35 2HG1 ILE 35 2.842 0.565 0.260 256 HG13 ILE 35 3HG1 ILE 35 3.295 1.012 1.887 257 HG21 ILE 35 1HG2 ILE 35 6.447 0.288 1.550 258 HG22 ILE 35 2HG2 ILE 35 5.393 0.011 2.938 259 HG23 ILE 35 3HG2 ILE 35 6.193 -1.358 2.158 260 HD11 ILE 35 3HD1 ILE 35 5.021 1.671 -0.523 261 HD12 ILE 35 1HD1 ILE 35 3.819 2.715 0.185 262 HD13 ILE 35 2HD1 ILE 35 5.210 2.261 1.159 263 H SER 36 H SER 36 6.439 -3.057 -0.228 264 HA SER 36 HA SER 36 8.912 -1.645 -0.703 265 HB2 SER 36 2HB SER 36 8.689 -3.949 0.330 266 HB3 SER 36 3HB SER 36 8.404 -4.582 -1.305 267 HG SER 36 HG SER 36 10.639 -4.634 -0.619 268 H GLU 37 H GLU 37 6.626 -3.364 -2.943 269 HA GLU 37 HA GLU 37 8.166 -2.752 -5.320 270 HB2 GLU 37 2HB GLU 37 5.154 -3.123 -5.228 271 HB3 GLU 37 3HB GLU 37 6.219 -3.278 -6.607 272 HG2 GLU 37 2HG GLU 37 5.873 -5.165 -4.281 273 HG3 GLU 37 3HG GLU 37 5.575 -5.460 -5.975 274 H ILE 38 H ILE 38 5.413 -0.995 -3.767 275 HA ILE 38 HA ILE 38 5.195 1.057 -5.701 276 HB ILE 38 HB ILE 38 4.438 0.764 -2.782 277 HG12 ILE 38 2HG1 ILE 38 2.750 1.012 -5.323 278 HG13 ILE 38 3HG1 ILE 38 3.229 -0.524 -4.616 279 HG21 ILE 38 1HG2 ILE 38 3.967 3.184 -4.468 280 HG22 ILE 38 2HG2 ILE 38 3.059 2.815 -3.000 281 HG23 ILE 38 3HG2 ILE 38 4.798 3.026 -2.883 282 HD11 ILE 38 3HD1 ILE 38 2.002 0.135 -2.493 283 HD12 ILE 38 1HD1 ILE 38 1.357 1.541 -3.372 284 HD13 ILE 38 2HD1 ILE 38 0.975 -0.087 -3.926 285 H GLN 39 H GLN 39 6.958 1.163 -2.560 286 HA GLN 39 HA GLN 39 8.108 3.754 -3.064 287 HB2 GLN 39 2HB GLN 39 8.896 1.487 -1.186 288 HB3 GLN 39 3HB GLN 39 9.777 3.008 -1.372 289 HG2 GLN 39 2HG GLN 39 7.378 4.092 -0.888 290 HG3 GLN 39 3HG GLN 39 7.085 2.550 -0.094 291 HE21 GLN 39 1HE2 GLN 39 7.215 5.152 1.200 292 HE22 GLN 39 2HE2 GLN 39 8.484 4.991 2.393 293 H ASN 40 H ASN 40 9.188 0.442 -3.869 294 HA ASN 40 HA ASN 40 11.748 1.226 -4.932 295 HB2 ASN 40 2HB ASN 40 11.247 -1.094 -4.474 296 HB3 ASN 40 3HB ASN 40 9.944 -1.099 -5.665 297 HD21 ASN 40 1HD2 ASN 40 10.506 -1.812 -7.709 298 HD22 ASN 40 2HD2 ASN 40 12.161 -1.881 -8.291 299 H GLN 41 H GLN 41 8.446 1.290 -6.534 300 HA GLN 41 HA GLN 41 9.566 2.121 -9.077 301 HB2 GLN 41 2HB GLN 41 6.807 2.438 -7.839 302 HB3 GLN 41 3HB GLN 41 7.194 2.897 -9.489 303 HG2 GLN 41 2HG GLN 41 7.702 0.068 -8.474 304 HG3 GLN 41 3HG GLN 41 6.142 0.581 -9.059 305 HE21 GLN 41 1HE2 GLN 41 6.823 -1.383 -10.532 306 HE22 GLN 41 2HE2 GLN 41 7.657 -0.930 -12.013 307 H LEU 42 H LEU 42 8.426 3.964 -6.195 308 HA LEU 42 HA LEU 42 9.012 6.530 -7.375 309 HB2 LEU 42 2HB LEU 42 7.661 5.848 -5.282 310 HB3 LEU 42 3HB LEU 42 9.118 5.997 -4.376 311 HG LEU 42 HG LEU 42 7.610 7.910 -4.221 312 HD11 LEU 42 1HD1 LEU 42 9.130 9.684 -4.367 313 HD12 LEU 42 2HD1 LEU 42 10.031 8.954 -5.701 314 HD13 LEU 42 3HD1 LEU 42 10.128 8.251 -4.074 315 HD21 LEU 42 3HD2 LEU 42 6.849 9.226 -5.933 316 HD22 LEU 42 1HD2 LEU 42 6.848 7.650 -6.709 317 HD23 LEU 42 2HD2 LEU 42 8.170 8.789 -7.041 318 H GLN 43 H GLN 43 11.127 4.155 -5.933 319 HA GLN 43 HA GLN 43 13.437 6.056 -5.739 320 HB2 GLN 43 2HB GLN 43 13.054 3.132 -5.026 321 HB3 GLN 43 3HB GLN 43 14.629 3.925 -4.977 322 HG2 GLN 43 2HG GLN 43 13.857 5.548 -3.339 323 HG3 GLN 43 3HG GLN 43 12.211 4.917 -3.417 324 HE21 GLN 43 1HE2 GLN 43 15.600 3.832 -2.656 325 HE22 GLN 43 2HE2 GLN 43 15.071 2.700 -1.420 326 H ASN 44 H ASN 44 12.357 3.522 -7.977 327 HA ASN 44 HA ASN 44 14.833 2.753 -8.993 328 HB2 ASN 44 2HB ASN 44 12.762 1.497 -9.308 329 HB3 ASN 44 3HB ASN 44 12.086 2.777 -10.319 330 HD21 ASN 44 1HD2 ASN 44 12.289 2.404 -12.513 331 HD22 ASN 44 2HD2 ASN 44 13.515 1.361 -13.216 332 H LEU 45 H LEU 45 12.806 5.448 -10.174 333 HA LEU 45 HA LEU 45 15.068 6.356 -11.911 334 HB2 LEU 45 2HB LEU 45 13.202 5.468 -13.222 335 HB3 LEU 45 3HB LEU 45 12.059 6.479 -12.345 336 HG LEU 45 HG LEU 45 13.102 8.522 -13.298 337 HD11 LEU 45 1HD1 LEU 45 14.706 8.299 -15.190 338 HD12 LEU 45 2HD1 LEU 45 14.858 6.563 -14.844 339 HD13 LEU 45 3HD1 LEU 45 15.413 7.773 -13.662 340 HD21 LEU 45 3HD2 LEU 45 12.372 6.434 -15.394 341 HD22 LEU 45 1HD2 LEU 45 12.326 8.200 -15.604 342 HD23 LEU 45 2HD2 LEU 45 11.224 7.420 -14.459 343 H LYS 46 H LYS 46 16.021 7.913 -10.722 344 HA LYS 46 HA LYS 46 14.427 10.212 -9.677 345 HB2 LYS 46 2HB LYS 46 16.736 8.722 -8.365 346 HB3 LYS 46 3HB LYS 46 16.145 10.270 -7.797 347 HG2 LYS 46 2HG LYS 46 14.240 7.903 -7.951 348 HG3 LYS 46 3HG LYS 46 15.417 8.023 -6.661 349 HD2 LYS 46 2HD LYS 46 13.347 8.909 -5.858 350 HD3 LYS 46 3HD LYS 46 14.541 10.191 -5.950 351 HE2 LYS 46 2HE LYS 46 12.381 11.017 -6.653 352 HE3 LYS 46 3HE LYS 46 13.494 11.056 -8.021 353 HZ1 LYS 46 3HZ LYS 46 11.572 8.836 -7.571 354 HZ2 LYS 46 1HZ LYS 46 12.435 9.127 -8.928 355 HZ3 LYS 46 2HZ LYS 46 11.236 10.148 -8.528 356 H1 MET 1 1H MET 1 -12.072 -26.332 -1.250 357 H2 MET 1 2H MET 1 -13.373 -26.877 -0.420 358 H3 MET 1 3H MET 1 -12.143 -26.128 0.367 359 HA MET 1 HA MET 1 -13.890 -24.864 -1.631 360 HB2 MET 1 2HB MET 1 -14.980 -23.637 0.123 361 HB3 MET 1 3HB MET 1 -15.124 -25.357 0.454 362 HG2 MET 1 2HG MET 1 -13.286 -25.173 2.134 363 HG3 MET 1 3HG MET 1 -13.169 -23.441 1.798 364 HE1 MET 1 3HE MET 1 -13.376 -22.872 4.344 365 HE2 MET 1 1HE MET 1 -14.664 -23.494 5.398 366 HE3 MET 1 2HE MET 1 -13.465 -24.611 4.712 367 H ASN 2 H ASN 2 -13.680 -22.493 -1.741 368 HA ASN 2 HA ASN 2 -10.903 -21.644 -1.816 369 HB2 ASN 2 2HB ASN 2 -12.604 -20.956 -3.493 370 HB3 ASN 2 3HB ASN 2 -13.510 -20.108 -2.235 371 HD21 ASN 2 1HD2 ASN 2 -10.181 -20.215 -3.676 372 HD22 ASN 2 2HD2 ASN 2 -9.934 -18.487 -3.500 373 H CYS 3 H CYS 3 -9.917 -19.951 -0.643 374 HA CYS 3 HA CYS 3 -11.257 -18.799 1.713 375 HB2 CYS 3 2HB CYS 3 -10.196 -20.963 2.454 376 HB3 CYS 3 3HB CYS 3 -8.622 -20.323 1.947 377 HG CYS 3 HG CYS 3 -8.876 -20.205 4.578 378 H MET 4 H MET 4 -10.312 -16.839 2.398 379 HA MET 4 HA MET 4 -8.756 -15.392 0.378 380 HB2 MET 4 2HB MET 4 -10.173 -14.675 2.945 381 HB3 MET 4 3HB MET 4 -8.931 -13.598 2.341 382 HG2 MET 4 2HG MET 4 -10.064 -13.517 0.129 383 HG3 MET 4 3HG MET 4 -11.313 -14.608 0.734 384 HE1 MET 4 3HE MET 4 -13.159 -12.924 -0.121 385 HE2 MET 4 1HE MET 4 -13.219 -11.206 0.325 386 HE3 MET 4 2HE MET 4 -11.894 -11.811 -0.695 387 H THR 5 H THR 5 -6.715 -15.926 0.189 388 HA THR 5 HA THR 5 -4.902 -15.662 2.540 389 HB THR 5 HB THR 5 -5.297 -18.044 1.963 390 HG1 THR 5 HG1 THR 5 -3.112 -18.518 2.021 391 HG21 THR 5 3HG2 THR 5 -5.503 -17.848 -0.522 392 HG22 THR 5 1HG2 THR 5 -4.273 -19.022 -0.028 393 HG23 THR 5 2HG2 THR 5 -3.780 -17.423 -0.621 394 H CYS 6 H CYS 6 -2.811 -14.939 2.085 395 HA CYS 6 HA CYS 6 -2.569 -12.928 0.089 396 HB2 CYS 6 2HB CYS 6 -1.396 -12.967 2.337 397 HB3 CYS 6 3HB CYS 6 -0.435 -14.305 1.748 398 HG CYS 6 HG CYS 6 1.113 -12.329 1.551 399 H GLN 7 H GLN 7 -2.199 -13.108 -2.088 400 HA GLN 7 HA GLN 7 -1.049 -15.603 -3.111 401 HB2 GLN 7 2HB GLN 7 -2.850 -14.288 -4.224 402 HB3 GLN 7 3HB GLN 7 -1.629 -13.086 -4.691 403 HG2 GLN 7 2HG GLN 7 -0.404 -14.832 -5.962 404 HG3 GLN 7 3HG GLN 7 -1.517 -16.070 -5.379 405 HE21 GLN 7 1HE2 GLN 7 -1.052 -13.465 -7.721 406 HE22 GLN 7 2HE2 GLN 7 -2.545 -13.778 -8.591 407 H VAL 8 H VAL 8 0.393 -12.746 -1.908 408 HA VAL 8 HA VAL 8 2.906 -13.046 -3.461 409 HB VAL 8 HB VAL 8 2.050 -10.980 -1.410 410 HG11 VAL 8 1HG1 VAL 8 4.508 -11.041 -3.207 411 HG12 VAL 8 2HG1 VAL 8 3.942 -9.623 -2.297 412 HG13 VAL 8 3HG1 VAL 8 4.486 -11.054 -1.427 413 HG21 VAL 8 3HG2 VAL 8 1.928 -9.487 -3.431 414 HG22 VAL 8 1HG2 VAL 8 2.221 -10.900 -4.458 415 HG23 VAL 8 2HG2 VAL 8 0.740 -10.791 -3.481 416 H THR 9 H THR 9 1.662 -13.899 -0.353 417 HA THR 9 HA THR 9 4.361 -14.895 0.526 418 HB THR 9 HB THR 9 3.981 -14.295 2.789 419 HG1 THR 9 HG1 THR 9 2.138 -13.262 3.458 420 HG21 THR 9 3HG2 THR 9 3.157 -11.860 1.147 421 HG22 THR 9 1HG2 THR 9 4.829 -12.451 1.305 422 HG23 THR 9 2HG2 THR 9 3.951 -11.877 2.732 423 H GLY 10 H GLY 10 0.879 -15.301 0.791 424 HA2 GLY 10 2HA GLY 10 -0.225 -17.494 0.681 425 HA3 GLY 10 3HA GLY 10 1.245 -18.255 1.268 426 H GLU 11 H GLU 11 0.639 -15.406 3.072 427 HA GLU 11 HA GLU 11 -0.378 -16.929 5.382 428 HB2 GLU 11 2HB GLU 11 0.377 -14.023 4.948 429 HB3 GLU 11 3HB GLU 11 -0.251 -14.671 6.478 430 HG2 GLU 11 2HG GLU 11 1.665 -16.363 6.397 431 HG3 GLU 11 3HG GLU 11 2.357 -15.393 5.091 432 H VAL 12 H VAL 12 -2.292 -16.694 6.383 433 HA VAL 12 HA VAL 12 -4.511 -15.243 5.000 434 HB VAL 12 HB VAL 12 -5.050 -17.418 4.529 435 HG11 VAL 12 1HG1 VAL 12 -4.348 -18.278 7.363 436 HG12 VAL 12 2HG1 VAL 12 -5.104 -19.305 6.129 437 HG13 VAL 12 3HG1 VAL 12 -3.472 -18.695 5.871 438 HG21 VAL 12 3HG2 VAL 12 -6.916 -16.141 5.694 439 HG22 VAL 12 1HG2 VAL 12 -7.074 -17.902 5.692 440 HG23 VAL 12 2HG2 VAL 12 -6.539 -17.063 7.160 441 H SER 13 H SER 13 -5.454 -13.721 6.102 442 HA SER 13 HA SER 13 -6.041 -14.110 8.984 443 HB2 SER 13 2HB SER 13 -4.978 -11.530 7.756 444 HB3 SER 13 3HB SER 13 -5.785 -11.636 9.327 445 HG SER 13 HG SER 13 -3.363 -12.920 8.559 446 H ASP 14 H ASP 14 -8.181 -13.506 9.485 447 HA ASP 14 HA ASP 14 -9.965 -13.082 7.240 448 HB2 ASP 14 2HB ASP 14 -11.736 -12.984 8.974 449 HB3 ASP 14 3HB ASP 14 -10.753 -14.438 9.005 450 H ASP 15 H ASP 15 -8.356 -10.902 9.453 451 HA ASP 15 HA ASP 15 -9.816 -8.520 8.693 452 HB2 ASP 15 2HB ASP 15 -7.108 -8.711 10.024 453 HB3 ASP 15 3HB ASP 15 -8.258 -7.378 10.073 454 H ASN 16 H ASN 16 -9.159 -9.905 6.504 455 HA ASN 16 HA ASN 16 -6.716 -9.852 5.323 456 HB2 ASN 16 2HB ASN 16 -7.870 -10.439 3.271 457 HB3 ASN 16 3HB ASN 16 -8.617 -11.245 4.636 458 HD21 ASN 16 1HD2 ASN 16 -10.765 -10.258 5.463 459 HD22 ASN 16 2HD2 ASN 16 -11.734 -9.479 4.227 460 H LEU 17 H LEU 17 -5.378 -8.492 4.328 461 HA LEU 17 HA LEU 17 -6.146 -5.790 3.610 462 HB2 LEU 17 2HB LEU 17 -3.426 -7.176 3.378 463 HB3 LEU 17 3HB LEU 17 -3.743 -5.454 3.328 464 HG LEU 17 HG LEU 17 -4.168 -7.285 5.721 465 HD11 LEU 17 1HD1 LEU 17 -1.828 -6.840 5.211 466 HD12 LEU 17 2HD1 LEU 17 -2.319 -6.091 6.746 467 HD13 LEU 17 3HD1 LEU 17 -2.120 -5.120 5.290 468 HD21 LEU 17 3HD2 LEU 17 -4.385 -4.890 6.808 469 HD22 LEU 17 1HD2 LEU 17 -5.791 -5.685 6.097 470 HD23 LEU 17 2HD2 LEU 17 -4.935 -4.423 5.204 471 H LYS 18 H LYS 18 -5.609 -4.847 1.518 472 HA LYS 18 HA LYS 18 -5.729 -6.800 -0.700 473 HB2 LYS 18 2HB LYS 18 -7.799 -4.613 -0.379 474 HB3 LYS 18 3HB LYS 18 -7.608 -5.713 -1.767 475 HG2 LYS 18 2HG LYS 18 -8.063 -7.651 -0.289 476 HG3 LYS 18 3HG LYS 18 -8.401 -6.525 1.046 477 HD2 LYS 18 2HD LYS 18 -10.197 -5.473 -0.341 478 HD3 LYS 18 3HD LYS 18 -9.890 -6.681 -1.612 479 HE2 LYS 18 2HE LYS 18 -10.417 -8.499 0.001 480 HE3 LYS 18 3HE LYS 18 -10.707 -7.301 1.262 481 HZ1 LYS 18 3HZ LYS 18 -12.783 -8.004 0.233 482 HZ2 LYS 18 1HZ LYS 18 -12.283 -7.536 -1.249 483 HZ3 LYS 18 2HZ LYS 18 -12.544 -6.422 -0.080 484 H LEU 19 H LEU 19 -5.220 -6.192 -2.690 485 HA LEU 19 HA LEU 19 -2.988 -4.456 -2.826 486 HB2 LEU 19 2HB LEU 19 -3.429 -6.709 -3.930 487 HB3 LEU 19 3HB LEU 19 -4.364 -5.887 -5.146 488 HG LEU 19 HG LEU 19 -1.584 -4.811 -4.756 489 HD11 LEU 19 1HD1 LEU 19 -0.561 -6.669 -6.039 490 HD12 LEU 19 2HD1 LEU 19 -2.065 -7.606 -5.861 491 HD13 LEU 19 3HD1 LEU 19 -1.099 -7.167 -4.434 492 HD21 LEU 19 3HD2 LEU 19 -3.070 -5.801 -7.228 493 HD22 LEU 19 1HD2 LEU 19 -1.588 -4.820 -7.192 494 HD23 LEU 19 2HD2 LEU 19 -3.119 -4.130 -6.636 495 H ALA 20 H ALA 20 -2.531 -3.003 -4.789 496 HA ALA 20 HA ALA 20 -4.204 -0.708 -4.094 497 HB1 ALA 20 3HB ALA 20 -1.769 -0.537 -3.810 498 HB2 ALA 20 1HB ALA 20 -1.535 -0.843 -5.547 499 HB3 ALA 20 2HB ALA 20 -2.348 0.640 -5.004 500 H GLY 21 H GLY 21 -4.852 0.945 -5.755 501 HA2 GLY 21 2HA GLY 21 -5.248 -0.132 -8.504 502 HA3 GLY 21 3HA GLY 21 -6.652 0.332 -7.541 503 H GLY 22 H GLY 22 -5.392 2.648 -6.267 504 HA2 GLY 22 2HA GLY 22 -4.045 4.477 -6.716 505 HA3 GLY 22 3HA GLY 22 -4.311 4.349 -8.456 506 H LYS 23 H LYS 23 -6.105 4.941 -5.400 507 HA LYS 23 HA LYS 23 -8.241 6.356 -6.817 508 HB2 LYS 23 2HB LYS 23 -7.873 6.010 -3.821 509 HB3 LYS 23 3HB LYS 23 -9.327 6.560 -4.662 510 HG2 LYS 23 2HG LYS 23 -9.235 4.297 -5.934 511 HG3 LYS 23 3HG LYS 23 -8.092 3.784 -4.688 512 HD2 LYS 23 2HD LYS 23 -10.972 4.699 -4.286 513 HD3 LYS 23 3HD LYS 23 -10.354 3.049 -4.149 514 HE2 LYS 23 2HE LYS 23 -8.904 3.797 -2.234 515 HE3 LYS 23 3HE LYS 23 -9.640 5.401 -2.339 516 HZ1 LYS 23 3HZ LYS 23 -10.747 4.041 -0.668 517 HZ2 LYS 23 1HZ LYS 23 -11.101 2.880 -1.755 518 HZ3 LYS 23 2HZ LYS 23 -11.801 4.354 -1.873 519 H LEU 24 H LEU 24 -5.487 7.438 -4.970 520 HA LEU 24 HA LEU 24 -5.817 10.173 -5.886 521 HB2 LEU 24 2HB LEU 24 -7.226 9.994 -3.761 522 HB3 LEU 24 3HB LEU 24 -5.744 9.625 -2.880 523 HG LEU 24 HG LEU 24 -4.851 11.864 -3.388 524 HD11 LEU 24 1HD1 LEU 24 -5.864 12.347 -5.587 525 HD12 LEU 24 2HD1 LEU 24 -6.320 13.590 -4.428 526 HD13 LEU 24 3HD1 LEU 24 -7.485 12.321 -4.859 527 HD21 LEU 24 3HD2 LEU 24 -6.485 13.178 -2.097 528 HD22 LEU 24 1HD2 LEU 24 -6.253 11.560 -1.400 529 HD23 LEU 24 2HD2 LEU 24 -7.712 11.921 -2.350 530 H VAL 25 H VAL 25 -3.796 11.489 -5.353 531 HA VAL 25 HA VAL 25 -1.479 9.704 -5.595 532 HB VAL 25 HB VAL 25 -1.761 12.684 -6.070 533 HG11 VAL 25 1HG1 VAL 25 0.681 10.874 -6.366 534 HG12 VAL 25 2HG1 VAL 25 0.533 12.484 -7.079 535 HG13 VAL 25 3HG1 VAL 25 0.536 12.321 -5.335 536 HG21 VAL 25 3HG2 VAL 25 -1.302 10.311 -7.937 537 HG22 VAL 25 1HG2 VAL 25 -2.804 11.255 -7.800 538 HG23 VAL 25 2HG2 VAL 25 -1.332 12.018 -8.420 539 H LEU 26 H LEU 26 0.075 9.488 -4.371 540 HA LEU 26 HA LEU 26 0.630 11.120 -1.946 541 HB2 LEU 26 2HB LEU 26 0.389 8.101 -2.097 542 HB3 LEU 26 3HB LEU 26 1.309 8.939 -0.860 543 HG LEU 26 HG LEU 26 -0.847 10.320 -0.414 544 HD11 LEU 26 1HD1 LEU 26 -2.052 7.772 -1.646 545 HD12 LEU 26 2HD1 LEU 26 -2.285 9.383 -2.306 546 HD13 LEU 26 3HD1 LEU 26 -2.957 9.022 -0.747 547 HD21 LEU 26 3HD2 LEU 26 -0.360 7.487 0.397 548 HD22 LEU 26 1HD2 LEU 26 -1.770 8.369 1.023 549 HD23 LEU 26 2HD2 LEU 26 -0.172 8.999 1.321 550 H SER 27 H SER 27 2.932 11.067 -1.212 551 HA SER 27 HA SER 27 4.861 10.477 -3.389 552 HB2 SER 27 2HB SER 27 4.993 12.654 -2.323 553 HB3 SER 27 3HB SER 27 4.984 11.913 -0.716 554 HG SER 27 HG SER 27 7.042 11.952 -2.665 555 H LYS 28 H LYS 28 6.971 9.676 -2.049 556 HA LYS 28 HA LYS 28 6.799 6.897 -1.440 557 HB2 LYS 28 2HB LYS 28 8.802 8.267 -2.067 558 HB3 LYS 28 3HB LYS 28 8.804 8.983 -0.457 559 HG2 LYS 28 2HG LYS 28 9.219 6.797 0.544 560 HG3 LYS 28 3HG LYS 28 9.074 6.008 -1.052 561 HD2 LYS 28 2HD LYS 28 11.033 7.489 -1.782 562 HD3 LYS 28 3HD LYS 28 11.244 7.921 -0.082 563 HE2 LYS 28 2HE LYS 28 11.329 5.105 -1.271 564 HE3 LYS 28 3HE LYS 28 12.741 6.088 -0.866 565 HZ1 LYS 28 3HZ LYS 28 11.946 6.040 1.491 566 HZ2 LYS 28 1HZ LYS 28 12.359 4.571 0.908 567 HZ3 LYS 28 2HZ LYS 28 10.794 4.941 1.063 568 H GLU 29 H GLU 29 6.729 9.720 0.708 569 HA GLU 29 HA GLU 29 6.677 8.096 3.114 570 HB2 GLU 29 2HB GLU 29 6.239 11.059 2.698 571 HB3 GLU 29 3HB GLU 29 6.295 10.262 4.276 572 HG2 GLU 29 2HG GLU 29 8.596 9.416 3.733 573 HG3 GLU 29 3HG GLU 29 8.558 10.345 2.233 574 H GLY 30 H GLY 30 4.187 9.764 1.117 575 HA2 GLY 30 2HA GLY 30 1.982 9.266 2.883 576 HA3 GLY 30 3HA GLY 30 1.956 9.591 1.144 577 H ALA 31 H ALA 31 3.399 7.330 0.120 578 HA ALA 31 HA ALA 31 1.369 5.346 0.204 579 HB1 ALA 31 3HB ALA 31 2.935 5.722 -1.714 580 HB2 ALA 31 1HB ALA 31 4.260 5.041 -0.740 581 HB3 ALA 31 2HB ALA 31 2.891 4.029 -1.214 582 H GLU 32 H GLU 32 4.570 5.550 1.849 583 HA GLU 32 HA GLU 32 4.137 3.027 3.215 584 HB2 GLU 32 2HB GLU 32 5.928 3.430 4.637 585 HB3 GLU 32 3HB GLU 32 6.315 3.932 2.991 586 HG2 GLU 32 2HG GLU 32 6.024 6.240 3.576 587 HG3 GLU 32 3HG GLU 32 5.459 5.846 5.206 588 H GLN 33 H GLN 33 2.983 6.349 3.931 589 HA GLN 33 HA GLN 33 2.180 5.724 6.630 590 HB2 GLN 33 2HB GLN 33 2.419 8.053 5.498 591 HB3 GLN 33 3HB GLN 33 0.777 7.786 4.919 592 HG2 GLN 33 2HG GLN 33 1.732 7.758 7.823 593 HG3 GLN 33 3HG GLN 33 0.948 9.117 7.039 594 HE21 GLN 33 1HE2 GLN 33 0.247 7.013 9.348 595 HE22 GLN 33 2HE2 GLN 33 -1.431 6.632 8.971 596 H ILE 34 H ILE 34 0.630 5.367 3.401 597 HA ILE 34 HA ILE 34 -1.854 4.283 4.410 598 HB ILE 34 HB ILE 34 -0.522 3.493 1.811 599 HG12 ILE 34 2HG1 ILE 34 -2.711 5.559 2.304 600 HG13 ILE 34 3HG1 ILE 34 -1.015 5.994 2.145 601 HG21 ILE 34 1HG2 ILE 34 -2.933 2.814 1.292 602 HG22 ILE 34 2HG2 ILE 34 -2.223 1.903 2.605 603 HG23 ILE 34 3HG2 ILE 34 -3.341 3.204 2.984 604 HD11 ILE 34 3HD1 ILE 34 -0.907 5.120 -0.127 605 HD12 ILE 34 1HD1 ILE 34 -2.539 4.452 -0.009 606 HD13 ILE 34 2HD1 ILE 34 -2.318 6.195 -0.003 607 H ILE 35 H ILE 35 1.313 2.637 3.665 608 HA ILE 35 HA ILE 35 0.386 0.095 4.448 609 HB ILE 35 HB ILE 35 2.971 1.211 3.992 610 HG12 ILE 35 2HG1 ILE 35 1.937 -0.680 2.800 611 HG13 ILE 35 3HG1 ILE 35 3.490 -1.169 3.514 612 HG21 ILE 35 1HG2 ILE 35 4.458 -0.139 5.383 613 HG22 ILE 35 2HG2 ILE 35 3.611 1.078 6.326 614 HG23 ILE 35 3HG2 ILE 35 3.103 -0.624 6.412 615 HD11 ILE 35 3HD1 ILE 35 2.533 -2.568 5.074 616 HD12 ILE 35 1HD1 ILE 35 0.895 -1.870 4.892 617 HD13 ILE 35 2HD1 ILE 35 1.581 -2.826 3.611 618 H SER 36 H SER 36 1.466 2.691 6.517 619 HA SER 36 HA SER 36 1.340 1.181 8.989 620 HB2 SER 36 2HB SER 36 1.105 4.149 8.410 621 HB3 SER 36 3HB SER 36 1.112 3.457 10.046 622 HG SER 36 HG SER 36 3.152 3.232 8.060 623 H GLU 37 H GLU 37 -1.142 3.123 7.203 624 HA GLU 37 HA GLU 37 -3.267 2.564 9.096 625 HB2 GLU 37 2HB GLU 37 -3.475 3.132 6.111 626 HB3 GLU 37 3HB GLU 37 -4.803 3.137 7.259 627 HG2 GLU 37 2HG GLU 37 -2.451 5.054 7.195 628 HG3 GLU 37 3HG GLU 37 -4.107 5.407 6.736 629 H ILE 38 H ILE 38 -2.324 0.876 6.052 630 HA ILE 38 HA ILE 38 -4.369 -1.073 6.101 631 HB ILE 38 HB ILE 38 -1.652 -0.808 4.793 632 HG12 ILE 38 2HG1 ILE 38 -4.552 -0.895 3.789 633 HG13 ILE 38 3HG1 ILE 38 -3.582 0.556 3.986 634 HG21 ILE 38 1HG2 ILE 38 -2.097 -2.769 3.400 635 HG22 ILE 38 2HG2 ILE 38 -1.704 -3.104 5.071 636 HG23 ILE 38 3HG2 ILE 38 -3.404 -3.212 4.493 637 HD11 ILE 38 3HD1 ILE 38 -3.601 0.071 1.657 638 HD12 ILE 38 1HD1 ILE 38 -1.986 -0.421 2.221 639 HD13 ILE 38 2HD1 ILE 38 -3.243 -1.639 1.905 640 H GLN 39 H GLN 39 -0.990 -1.433 7.256 641 HA GLN 39 HA GLN 39 -1.409 -4.073 8.330 642 HB2 GLN 39 2HB GLN 39 0.687 -1.930 8.875 643 HB3 GLN 39 3HB GLN 39 0.604 -3.480 9.712 644 HG2 GLN 39 2HG GLN 39 0.641 -4.547 7.310 645 HG3 GLN 39 3HG GLN 39 1.237 -2.989 6.782 646 HE21 GLN 39 1HE2 GLN 39 2.621 -5.601 6.769 647 HE22 GLN 39 2HE2 GLN 39 4.095 -5.333 7.660 648 H ASN 40 H ASN 40 -1.874 -0.805 9.701 649 HA ASN 40 HA ASN 40 -2.605 -1.783 12.338 650 HB2 ASN 40 2HB ASN 40 -1.920 0.527 11.943 651 HB3 ASN 40 3HB ASN 40 -3.338 0.803 10.927 652 HD21 ASN 40 1HD2 ASN 40 -2.413 -0.197 14.276 653 HD22 ASN 40 2HD2 ASN 40 -3.827 0.544 15.009 654 H GLN 41 H GLN 41 -4.572 -1.548 9.299 655 HA GLN 41 HA GLN 41 -7.068 -2.075 10.701 656 HB2 GLN 41 2HB GLN 41 -6.299 -2.482 7.774 657 HB3 GLN 41 3HB GLN 41 -7.896 -2.772 8.471 658 HG2 GLN 41 2HG GLN 41 -7.851 -0.356 9.298 659 HG3 GLN 41 3HG GLN 41 -6.458 -0.107 8.274 660 HE21 GLN 41 1HE2 GLN 41 -8.446 1.541 7.672 661 HE22 GLN 41 2HE2 GLN 41 -9.293 1.006 6.227 662 H LEU 42 H LEU 42 -4.582 -4.178 9.096 663 HA LEU 42 HA LEU 42 -6.003 -6.583 9.794 664 HB2 LEU 42 2HB LEU 42 -4.194 -6.448 8.196 665 HB3 LEU 42 3HB LEU 42 -2.997 -6.273 9.453 666 HG LEU 42 HG LEU 42 -4.876 -8.664 9.589 667 HD11 LEU 42 1HD1 LEU 42 -2.593 -8.353 7.635 668 HD12 LEU 42 2HD1 LEU 42 -4.283 -8.812 7.304 669 HD13 LEU 42 3HD1 LEU 42 -3.217 -9.936 8.150 670 HD21 LEU 42 3HD2 LEU 42 -2.877 -9.796 10.458 671 HD22 LEU 42 1HD2 LEU 42 -3.166 -8.323 11.380 672 HD23 LEU 42 2HD2 LEU 42 -1.898 -8.350 10.145 673 H GLN 43 H GLN 43 -3.638 -4.701 11.661 674 HA GLN 43 HA GLN 43 -3.509 -6.564 13.842 675 HB2 GLN 43 2HB GLN 43 -1.767 -4.925 13.119 676 HB3 GLN 43 3HB GLN 43 -2.753 -3.616 13.786 677 HG2 GLN 43 2HG GLN 43 -2.522 -4.560 16.044 678 HG3 GLN 43 3HG GLN 43 -1.695 -5.985 15.398 679 HE21 GLN 43 1HE2 GLN 43 -1.211 -2.759 16.595 680 HE22 GLN 43 2HE2 GLN 43 0.485 -2.656 16.144 681 H ASN 44 H ASN 44 -5.595 -3.713 13.328 682 HA ASN 44 HA ASN 44 -6.913 -4.216 15.940 683 HB2 ASN 44 2HB ASN 44 -5.007 -2.581 16.061 684 HB3 ASN 44 3HB ASN 44 -5.903 -1.520 14.972 685 HD21 ASN 44 1HD2 ASN 44 -7.690 -3.335 17.562 686 HD22 ASN 44 2HD2 ASN 44 -7.832 -1.910 18.569 687 H LEU 45 H LEU 45 -7.898 -4.574 13.032 688 HA LEU 45 HA LEU 45 -10.402 -3.074 13.087 689 HB2 LEU 45 2HB LEU 45 -9.649 -4.188 11.068 690 HB3 LEU 45 3HB LEU 45 -9.619 -5.754 11.885 691 HG LEU 45 HG LEU 45 -12.092 -5.697 12.078 692 HD11 LEU 45 1HD1 LEU 45 -13.375 -3.995 10.800 693 HD12 LEU 45 2HD1 LEU 45 -11.873 -3.097 10.488 694 HD13 LEU 45 3HD1 LEU 45 -12.498 -3.261 12.144 695 HD21 LEU 45 3HD2 LEU 45 -11.021 -6.716 10.107 696 HD22 LEU 45 1HD2 LEU 45 -11.064 -5.156 9.260 697 HD23 LEU 45 2HD2 LEU 45 -12.578 -5.989 9.687 698 H LYS 46 H LYS 46 -9.098 -5.847 14.767 699 HA LYS 46 HA LYS 46 -11.524 -6.250 16.441 700 HB2 LYS 46 2HB LYS 46 -8.814 -7.642 16.392 701 HB3 LYS 46 3HB LYS 46 -10.104 -7.986 17.550 702 HG2 LYS 46 2HG LYS 46 -11.618 -8.657 15.718 703 HG3 LYS 46 3HG LYS 46 -10.355 -8.298 14.526 704 HD2 LYS 46 2HD LYS 46 -8.893 -10.035 15.528 705 HD3 LYS 46 3HD LYS 46 -10.117 -10.356 16.763 706 HE2 LYS 46 2HE LYS 46 -10.300 -12.069 15.093 707 HE3 LYS 46 3HE LYS 46 -11.728 -11.035 14.984 708 HZ1 LYS 46 3HZ LYS 46 -10.640 -9.914 13.064 709 HZ2 LYS 46 1HZ LYS 46 -10.795 -11.523 12.777 710 HZ3 LYS 46 2HZ LYS 46 -9.359 -10.856 13.174 Start of MODEL 10 1 H1 MET 1 1H MET 1 0.170 21.217 -16.760 2 H2 MET 1 2H MET 1 -0.507 19.861 -16.130 3 H3 MET 1 3H MET 1 0.936 19.777 -16.889 4 HA MET 1 HA MET 1 1.996 21.107 -15.197 5 HB2 MET 1 2HB MET 1 -0.751 21.021 -13.867 6 HB3 MET 1 3HB MET 1 0.738 21.525 -13.067 7 HG2 MET 1 2HG MET 1 -0.568 22.904 -15.437 8 HG3 MET 1 3HG MET 1 -0.520 23.460 -13.769 9 HE1 MET 1 3HE MET 1 0.307 25.834 -14.525 10 HE2 MET 1 1HE MET 1 1.705 26.107 -15.588 11 HE3 MET 1 2HE MET 1 0.253 25.301 -16.221 12 H ASN 2 H ASN 2 2.960 20.141 -13.328 13 HA ASN 2 HA ASN 2 2.454 17.212 -13.101 14 HB2 ASN 2 2HB ASN 2 4.781 16.897 -12.876 15 HB3 ASN 2 3HB ASN 2 4.560 17.944 -14.269 16 HD21 ASN 2 1HD2 ASN 2 6.794 17.483 -12.127 17 HD22 ASN 2 2HD2 ASN 2 7.200 19.142 -11.665 18 H CYS 3 H CYS 3 1.315 19.476 -11.401 19 HA CYS 3 HA CYS 3 2.589 19.389 -8.836 20 HB2 CYS 3 2HB CYS 3 -0.161 20.403 -9.627 21 HB3 CYS 3 3HB CYS 3 0.722 20.809 -8.147 22 HG CYS 3 HG CYS 3 2.808 21.900 -9.337 23 H MET 4 H MET 4 1.802 16.711 -9.659 24 HA MET 4 HA MET 4 -0.456 15.808 -8.012 25 HB2 MET 4 2HB MET 4 1.493 14.634 -9.939 26 HB3 MET 4 3HB MET 4 0.901 13.578 -8.651 27 HG2 MET 4 2HG MET 4 -0.575 13.320 -10.503 28 HG3 MET 4 3HG MET 4 -1.435 14.165 -9.217 29 HE1 MET 4 3HE MET 4 -2.510 13.946 -12.192 30 HE2 MET 4 1HE MET 4 -3.360 14.818 -10.895 31 HE3 MET 4 2HE MET 4 -3.090 15.603 -12.466 32 H THR 5 H THR 5 -0.159 16.408 -6.058 33 HA THR 5 HA THR 5 2.313 15.757 -4.536 34 HB THR 5 HB THR 5 1.579 18.115 -4.595 35 HG1 THR 5 HG1 THR 5 1.934 18.391 -2.435 36 HG21 THR 5 3HG2 THR 5 -0.767 17.169 -2.832 37 HG22 THR 5 1HG2 THR 5 -0.915 17.796 -4.491 38 HG23 THR 5 2HG2 THR 5 -0.321 18.848 -3.202 39 H CYS 6 H CYS 6 2.271 14.828 -2.536 40 HA CYS 6 HA CYS 6 0.310 12.847 -1.944 41 HB2 CYS 6 2HB CYS 6 2.724 12.802 -1.250 42 HB3 CYS 6 3HB CYS 6 2.377 14.112 -0.135 43 HG CYS 6 HG CYS 6 2.371 12.093 1.367 44 H GLN 7 H GLN 7 -1.733 13.194 -1.324 45 HA GLN 7 HA GLN 7 -2.396 15.724 -0.004 46 HB2 GLN 7 2HB GLN 7 -4.192 13.380 -0.604 47 HB3 GLN 7 3HB GLN 7 -4.678 15.033 -0.184 48 HG2 GLN 7 2HG GLN 7 -3.198 14.234 -2.727 49 HG3 GLN 7 3HG GLN 7 -4.914 14.537 -2.593 50 HE21 GLN 7 1HE2 GLN 7 -3.623 15.974 -4.475 51 HE22 GLN 7 2HE2 GLN 7 -3.503 17.646 -3.945 52 H VAL 8 H VAL 8 -1.171 12.874 1.214 53 HA VAL 8 HA VAL 8 -2.345 13.199 3.938 54 HB VAL 8 HB VAL 8 -0.708 10.951 2.717 55 HG11 VAL 8 1HG1 VAL 8 -1.453 9.612 4.675 56 HG12 VAL 8 2HG1 VAL 8 -0.375 10.925 5.134 57 HG13 VAL 8 3HG1 VAL 8 -2.126 11.086 5.410 58 HG21 VAL 8 3HG2 VAL 8 -2.943 11.038 1.714 59 HG22 VAL 8 1HG2 VAL 8 -2.881 9.692 2.849 60 HG23 VAL 8 2HG2 VAL 8 -3.690 11.198 3.319 61 H THR 9 H THR 9 0.570 13.794 2.241 62 HA THR 9 HA THR 9 1.991 14.557 4.782 63 HB THR 9 HB THR 9 4.113 13.854 4.034 64 HG1 THR 9 HG1 THR 9 4.469 12.925 2.071 65 HG21 THR 9 3HG2 THR 9 3.918 11.440 3.858 66 HG22 THR 9 1HG2 THR 9 2.215 11.561 3.391 67 HG23 THR 9 2HG2 THR 9 2.726 12.038 5.025 68 H GLY 10 H GLY 10 1.734 15.130 1.318 69 HA2 GLY 10 2HA GLY 10 1.513 17.404 0.422 70 HA3 GLY 10 3HA GLY 10 2.510 18.012 1.734 71 H GLU 11 H GLU 11 3.959 15.146 0.648 72 HA GLU 11 HA GLU 11 6.000 16.597 -0.878 73 HB2 GLU 11 2HB GLU 11 5.610 13.762 0.099 74 HB3 GLU 11 3HB GLU 11 6.898 14.142 -1.055 75 HG2 GLU 11 2HG GLU 11 6.559 15.728 1.494 76 HG3 GLU 11 3HG GLU 11 7.422 14.187 1.478 77 H VAL 12 H VAL 12 6.566 16.364 -2.939 78 HA VAL 12 HA VAL 12 4.626 15.111 -4.841 79 HB VAL 12 HB VAL 12 4.105 17.373 -4.992 80 HG11 VAL 12 1HG1 VAL 12 7.059 18.056 -5.272 81 HG12 VAL 12 2HG1 VAL 12 5.706 19.187 -5.473 82 HG13 VAL 12 3HG1 VAL 12 6.003 18.455 -3.897 83 HG21 VAL 12 3HG2 VAL 12 4.591 17.961 -7.264 84 HG22 VAL 12 1HG2 VAL 12 6.043 16.944 -7.292 85 HG23 VAL 12 2HG2 VAL 12 4.436 16.200 -7.191 86 H SER 13 H SER 13 5.383 13.733 -6.239 87 HA SER 13 HA SER 13 8.092 14.103 -7.390 88 HB2 SER 13 2HB SER 13 8.341 12.325 -5.708 89 HB3 SER 13 3HB SER 13 6.996 11.426 -6.445 90 HG SER 13 HG SER 13 9.234 10.854 -7.119 91 H ASP 14 H ASP 14 8.244 13.490 -9.564 92 HA ASP 14 HA ASP 14 5.794 13.414 -11.119 93 HB2 ASP 14 2HB ASP 14 8.594 12.771 -12.076 94 HB3 ASP 14 3HB ASP 14 7.215 13.270 -13.051 95 H ASP 15 H ASP 15 7.825 10.945 -9.700 96 HA ASP 15 HA ASP 15 6.504 8.740 -11.088 97 HB2 ASP 15 2HB ASP 15 8.654 8.730 -8.958 98 HB3 ASP 15 3HB ASP 15 8.095 7.362 -9.913 99 H ASN 16 H ASN 16 4.793 10.399 -9.695 100 HA ASN 16 HA ASN 16 4.184 10.054 -7.072 101 HB2 ASN 16 2HB ASN 16 1.764 10.517 -7.836 102 HB3 ASN 16 3HB ASN 16 3.010 11.706 -8.182 103 HD21 ASN 16 1HD2 ASN 16 2.045 8.685 -9.935 104 HD22 ASN 16 2HD2 ASN 16 1.700 9.546 -11.439 105 H LEU 17 H LEU 17 3.523 8.567 -5.704 106 HA LEU 17 HA LEU 17 2.428 6.004 -6.489 107 HB2 LEU 17 2HB LEU 17 2.889 7.151 -3.686 108 HB3 LEU 17 3HB LEU 17 2.688 5.465 -4.114 109 HG LEU 17 HG LEU 17 5.014 7.248 -4.928 110 HD11 LEU 17 1HD1 LEU 17 5.023 6.675 -2.545 111 HD12 LEU 17 2HD1 LEU 17 6.397 5.987 -3.427 112 HD13 LEU 17 3HD1 LEU 17 5.028 4.988 -2.949 113 HD21 LEU 17 3HD2 LEU 17 4.193 4.524 -5.829 114 HD22 LEU 17 1HD2 LEU 17 5.898 4.748 -5.423 115 HD23 LEU 17 2HD2 LEU 17 5.130 5.768 -6.650 116 H LYS 18 H LYS 18 0.440 5.153 -5.373 117 HA LYS 18 HA LYS 18 -1.597 7.240 -4.922 118 HB2 LYS 18 2HB LYS 18 -1.931 5.152 -7.100 119 HB3 LYS 18 3HB LYS 18 -3.161 6.307 -6.533 120 HG2 LYS 18 2HG LYS 18 -1.733 8.188 -7.267 121 HG3 LYS 18 3HG LYS 18 -0.591 7.022 -7.973 122 HD2 LYS 18 2HD LYS 18 -2.420 6.136 -9.414 123 HD3 LYS 18 3HD LYS 18 -3.527 7.350 -8.730 124 HE2 LYS 18 2HE LYS 18 -2.057 9.166 -9.560 125 HE3 LYS 18 3HE LYS 18 -0.939 7.969 -10.226 126 HZ1 LYS 18 3HZ LYS 18 -2.463 8.807 -11.927 127 HZ2 LYS 18 1HZ LYS 18 -3.768 8.312 -11.081 128 HZ3 LYS 18 2HZ LYS 18 -2.728 7.214 -11.702 129 H LEU 19 H LEU 19 -3.529 6.654 -4.043 130 HA LEU 19 HA LEU 19 -3.240 4.836 -1.887 131 HB2 LEU 19 2HB LEU 19 -4.354 7.117 -2.023 132 HB3 LEU 19 3HB LEU 19 -5.749 6.351 -2.721 133 HG LEU 19 HG LEU 19 -4.804 5.226 -0.073 134 HD11 LEU 19 1HD1 LEU 19 -5.932 7.049 1.172 135 HD12 LEU 19 2HD1 LEU 19 -6.077 7.981 -0.338 136 HD13 LEU 19 3HD1 LEU 19 -4.477 7.602 0.338 137 HD21 LEU 19 3HD2 LEU 19 -6.938 4.505 -1.258 138 HD22 LEU 19 1HD2 LEU 19 -7.551 6.151 -1.045 139 HD23 LEU 19 2HD2 LEU 19 -7.196 5.140 0.372 140 H ALA 20 H ALA 20 -5.001 3.336 -1.113 141 HA ALA 20 HA ALA 20 -4.842 1.175 -3.104 142 HB1 ALA 20 3HB ALA 20 -5.172 -0.354 -1.199 143 HB2 ALA 20 1HB ALA 20 -3.834 0.775 -0.905 144 HB3 ALA 20 2HB ALA 20 -5.410 1.037 -0.121 145 H GLY 21 H GLY 21 -6.609 -0.397 -3.455 146 HA2 GLY 21 2HA GLY 21 -9.357 0.580 -2.861 147 HA3 GLY 21 3HA GLY 21 -8.849 0.424 -4.544 148 H GLY 22 H GLY 22 -7.249 -2.049 -4.046 149 HA2 GLY 22 2HA GLY 22 -7.381 -4.080 -2.941 150 HA3 GLY 22 3HA GLY 22 -9.135 -3.964 -2.780 151 H LYS 23 H LYS 23 -6.534 -4.297 -5.234 152 HA LYS 23 HA LYS 23 -8.312 -5.555 -7.180 153 HB2 LYS 23 2HB LYS 23 -5.274 -5.379 -7.174 154 HB3 LYS 23 3HB LYS 23 -6.275 -5.926 -8.514 155 HG2 LYS 23 2HG LYS 23 -7.361 -3.669 -8.599 156 HG3 LYS 23 3HG LYS 23 -6.238 -3.114 -7.338 157 HD2 LYS 23 2HD LYS 23 -4.312 -3.696 -8.808 158 HD3 LYS 23 3HD LYS 23 -5.441 -4.239 -10.067 159 HE2 LYS 23 2HE LYS 23 -6.412 -1.943 -10.160 160 HE3 LYS 23 3HE LYS 23 -5.251 -1.419 -8.930 161 HZ1 LYS 23 3HZ LYS 23 -4.515 -2.448 -11.614 162 HZ2 LYS 23 1HZ LYS 23 -3.454 -1.962 -10.466 163 HZ3 LYS 23 2HZ LYS 23 -4.466 -0.883 -11.155 164 H LEU 24 H LEU 24 -6.085 -6.829 -4.796 165 HA LEU 24 HA LEU 24 -7.152 -9.525 -5.073 166 HB2 LEU 24 2HB LEU 24 -5.251 -9.289 -6.797 167 HB3 LEU 24 3HB LEU 24 -4.151 -9.083 -5.432 168 HG LEU 24 HG LEU 24 -4.654 -11.363 -4.644 169 HD11 LEU 24 1HD1 LEU 24 -6.986 -11.676 -5.386 170 HD12 LEU 24 2HD1 LEU 24 -5.959 -12.918 -6.097 171 HD13 LEU 24 3HD1 LEU 24 -6.480 -11.536 -7.085 172 HD21 LEU 24 3HD2 LEU 24 -3.659 -12.587 -6.531 173 HD22 LEU 24 1HD2 LEU 24 -2.847 -11.033 -6.260 174 HD23 LEU 24 2HD2 LEU 24 -3.992 -11.219 -7.609 175 H VAL 25 H VAL 25 -6.382 -10.949 -3.273 176 HA VAL 25 HA VAL 25 -6.130 -9.349 -0.822 177 HB VAL 25 HB VAL 25 -6.743 -12.303 -1.235 178 HG11 VAL 25 1HG1 VAL 25 -7.427 -12.194 1.180 179 HG12 VAL 25 2HG1 VAL 25 -5.693 -12.040 0.958 180 HG13 VAL 25 3HG1 VAL 25 -6.681 -10.589 1.275 181 HG21 VAL 25 3HG2 VAL 25 -8.469 -9.913 -0.443 182 HG22 VAL 25 1HG2 VAL 25 -8.571 -10.813 -1.973 183 HG23 VAL 25 2HG2 VAL 25 -9.008 -11.600 -0.451 184 H LEU 26 H LEU 26 -4.617 -9.256 0.461 185 HA LEU 26 HA LEU 26 -2.178 -10.962 0.462 186 HB2 LEU 26 2HB LEU 26 -2.302 -7.953 0.221 187 HB3 LEU 26 3HB LEU 26 -0.938 -8.787 0.941 188 HG LEU 26 HG LEU 26 -0.921 -10.249 -1.228 189 HD11 LEU 26 1HD1 LEU 26 -2.967 -9.288 -2.364 190 HD12 LEU 26 2HD1 LEU 26 -1.534 -8.922 -3.278 191 HD13 LEU 26 3HD1 LEU 26 -2.275 -7.682 -2.231 192 HD21 LEU 26 3HD2 LEU 26 0.404 -8.297 -2.388 193 HD22 LEU 26 1HD2 LEU 26 0.966 -9.051 -0.913 194 HD23 LEU 26 2HD2 LEU 26 0.111 -7.497 -0.829 195 H SER 27 H SER 27 -0.913 -10.957 2.558 196 HA SER 27 HA SER 27 -2.652 -10.568 4.897 197 HB2 SER 27 2HB SER 27 -0.857 -11.788 5.993 198 HB3 SER 27 3HB SER 27 -1.293 -12.643 4.508 199 HG SER 27 HG SER 27 1.012 -12.316 4.829 200 H LYS 28 H LYS 28 -1.022 -9.820 6.801 201 HA LYS 28 HA LYS 28 -0.216 -7.104 6.690 202 HB2 LYS 28 2HB LYS 28 -0.519 -8.681 8.659 203 HB3 LYS 28 3HB LYS 28 1.058 -9.373 8.290 204 HG2 LYS 28 2HG LYS 28 2.125 -7.210 8.700 205 HG3 LYS 28 3HG LYS 28 0.528 -6.441 8.923 206 HD2 LYS 28 2HD LYS 28 0.177 -8.131 10.831 207 HD3 LYS 28 3HD LYS 28 1.897 -8.502 10.706 208 HE2 LYS 28 2HE LYS 28 0.679 -5.743 11.216 209 HE3 LYS 28 3HE LYS 28 1.281 -6.830 12.474 210 HZ1 LYS 28 3HZ LYS 28 2.924 -5.495 10.387 211 HZ2 LYS 28 1HZ LYS 28 3.508 -6.672 11.384 212 HZ3 LYS 28 2HZ LYS 28 2.972 -5.250 11.984 213 H GLU 29 H GLU 29 1.626 -10.043 5.945 214 HA GLU 29 HA GLU 29 4.089 -8.574 5.474 215 HB2 GLU 29 2HB GLU 29 3.382 -11.494 5.108 216 HB3 GLU 29 3HB GLU 29 4.985 -10.805 4.804 217 HG2 GLU 29 2HG GLU 29 5.056 -9.980 7.164 218 HG3 GLU 29 3HG GLU 29 3.509 -10.771 7.472 219 H GLY 30 H GLY 30 1.521 -10.073 3.451 220 HA2 GLY 30 2HA GLY 30 2.728 -9.592 0.908 221 HA3 GLY 30 3HA GLY 30 1.007 -9.733 1.303 222 H ALA 31 H ALA 31 0.560 -7.489 2.950 223 HA ALA 31 HA ALA 31 0.399 -5.404 1.039 224 HB1 ALA 31 3HB ALA 31 -1.215 -5.576 2.874 225 HB2 ALA 31 1HB ALA 31 0.070 -5.338 4.078 226 HB3 ALA 31 2HB ALA 31 -0.385 -4.007 3.011 227 H GLU 32 H GLU 32 2.641 -5.902 3.826 228 HA GLU 32 HA GLU 32 3.977 -3.401 3.368 229 HB2 GLU 32 2HB GLU 32 5.762 -4.044 4.727 230 HB3 GLU 32 3HB GLU 32 4.228 -4.569 5.414 231 HG2 GLU 32 2HG GLU 32 4.646 -6.831 4.676 232 HG3 GLU 32 3HG GLU 32 6.156 -6.395 3.901 233 H GLN 33 H GLN 33 4.350 -6.640 1.844 234 HA GLN 33 HA GLN 33 6.809 -5.962 0.442 235 HB2 GLN 33 2HB GLN 33 4.783 -8.163 0.395 236 HB3 GLN 33 3HB GLN 33 5.888 -8.008 -0.980 237 HG2 GLN 33 2HG GLN 33 6.771 -8.230 1.934 238 HG3 GLN 33 3HG GLN 33 6.635 -9.595 0.829 239 HE21 GLN 33 1HE2 GLN 33 8.075 -9.604 -1.136 240 HE22 GLN 33 2HE2 GLN 33 9.600 -8.736 -1.027 241 H ILE 34 H ILE 34 3.318 -5.575 -0.400 242 HA ILE 34 HA ILE 34 3.864 -4.523 -3.049 243 HB ILE 34 HB ILE 34 1.685 -3.497 -1.225 244 HG12 ILE 34 2HG1 ILE 34 1.441 -5.724 -3.288 245 HG13 ILE 34 3HG1 ILE 34 1.662 -6.027 -1.572 246 HG21 ILE 34 1HG2 ILE 34 2.318 -2.186 -3.334 247 HG22 ILE 34 2HG2 ILE 34 1.988 -3.620 -4.283 248 HG23 ILE 34 3HG2 ILE 34 0.680 -2.795 -3.399 249 HD11 ILE 34 3HD1 ILE 34 -0.627 -4.301 -2.632 250 HD12 ILE 34 1HD1 ILE 34 -0.766 -6.027 -2.346 251 HD13 ILE 34 2HD1 ILE 34 -0.418 -4.928 -0.995 252 H ILE 35 H ILE 35 3.750 -2.892 0.202 253 HA ILE 35 HA ILE 35 4.443 -0.382 -0.912 254 HB ILE 35 HB ILE 35 3.932 -1.365 1.634 255 HG12 ILE 35 2HG1 ILE 35 2.893 0.525 0.418 256 HG13 ILE 35 3HG1 ILE 35 3.338 0.965 2.048 257 HG21 ILE 35 1HG2 ILE 35 5.436 -0.023 3.104 258 HG22 ILE 35 2HG2 ILE 35 6.269 -1.364 2.310 259 HG23 ILE 35 3HG2 ILE 35 6.494 0.295 1.727 260 HD11 ILE 35 3HD1 ILE 35 5.258 2.232 1.324 261 HD12 ILE 35 1HD1 ILE 35 5.029 1.674 -0.367 262 HD13 ILE 35 2HD1 ILE 35 3.845 2.697 0.394 263 H SER 36 H SER 36 6.566 -3.006 -0.076 264 HA SER 36 HA SER 36 9.005 -1.550 -0.568 265 HB2 SER 36 2HB SER 36 8.879 -3.866 0.421 266 HB3 SER 36 3HB SER 36 8.514 -4.489 -1.200 267 HG SER 36 HG SER 36 10.770 -4.550 -0.664 268 H GLU 37 H GLU 37 6.792 -3.376 -2.819 269 HA GLU 37 HA GLU 37 8.279 -2.714 -5.203 270 HB2 GLU 37 2HB GLU 37 5.281 -3.200 -4.935 271 HB3 GLU 37 3HB GLU 37 6.191 -3.177 -6.430 272 HG2 GLU 37 2HG GLU 37 6.540 -5.201 -4.183 273 HG3 GLU 37 3HG GLU 37 5.655 -5.456 -5.673 274 H ILE 38 H ILE 38 5.532 -0.989 -3.643 275 HA ILE 38 HA ILE 38 5.238 1.052 -5.574 276 HB ILE 38 HB ILE 38 4.531 0.713 -2.654 277 HG12 ILE 38 2HG1 ILE 38 2.828 1.003 -5.187 278 HG13 ILE 38 3HG1 ILE 38 3.317 -0.541 -4.508 279 HG21 ILE 38 1HG2 ILE 38 4.830 2.970 -2.660 280 HG22 ILE 38 2HG2 ILE 38 3.997 3.178 -4.240 281 HG23 ILE 38 3HG2 ILE 38 3.100 2.728 -2.794 282 HD11 ILE 38 3HD1 ILE 38 1.404 1.483 -3.261 283 HD12 ILE 38 1HD1 ILE 38 1.063 -0.153 -3.815 284 HD13 ILE 38 2HD1 ILE 38 2.072 0.092 -2.372 285 H GLN 39 H GLN 39 7.088 1.159 -2.504 286 HA GLN 39 HA GLN 39 8.055 3.845 -2.940 287 HB2 GLN 39 2HB GLN 39 8.927 1.579 -1.106 288 HB3 GLN 39 3HB GLN 39 9.784 3.123 -1.240 289 HG2 GLN 39 2HG GLN 39 7.519 4.249 -0.674 290 HG3 GLN 39 3HG GLN 39 6.998 2.664 -0.119 291 HE21 GLN 39 1HE2 GLN 39 7.513 5.190 1.413 292 HE22 GLN 39 2HE2 GLN 39 8.611 4.684 2.680 293 H ASN 40 H ASN 40 9.303 0.630 -3.796 294 HA ASN 40 HA ASN 40 11.841 1.574 -4.875 295 HB2 ASN 40 2HB ASN 40 10.145 -0.905 -5.307 296 HB3 ASN 40 3HB ASN 40 11.700 -0.676 -6.109 297 HD21 ASN 40 1HD2 ASN 40 11.501 -2.900 -4.622 298 HD22 ASN 40 2HD2 ASN 40 12.364 -2.708 -3.108 299 H GLN 41 H GLN 41 8.505 1.427 -6.280 300 HA GLN 41 HA GLN 41 9.490 1.900 -8.987 301 HB2 GLN 41 2HB GLN 41 6.764 1.882 -7.660 302 HB3 GLN 41 3HB GLN 41 6.972 2.366 -9.337 303 HG2 GLN 41 2HG GLN 41 8.227 -0.254 -8.514 304 HG3 GLN 41 3HG GLN 41 6.476 -0.175 -8.589 305 HE21 GLN 41 1HE2 GLN 41 9.416 -0.403 -10.535 306 HE22 GLN 41 2HE2 GLN 41 8.570 -0.309 -12.074 307 H LEU 42 H LEU 42 8.242 3.985 -6.319 308 HA LEU 42 HA LEU 42 8.556 6.411 -7.840 309 HB2 LEU 42 2HB LEU 42 7.360 6.292 -5.750 310 HB3 LEU 42 3HB LEU 42 8.827 6.050 -4.834 311 HG LEU 42 HG LEU 42 8.632 8.498 -6.633 312 HD11 LEU 42 1HD1 LEU 42 7.640 9.764 -4.683 313 HD12 LEU 42 2HD1 LEU 42 7.246 8.185 -3.965 314 HD13 LEU 42 3HD1 LEU 42 6.546 8.675 -5.531 315 HD21 LEU 42 3HD2 LEU 42 9.895 7.961 -3.909 316 HD22 LEU 42 1HD2 LEU 42 9.918 9.531 -4.739 317 HD23 LEU 42 2HD2 LEU 42 10.758 8.158 -5.442 318 H GLN 43 H GLN 43 10.855 4.669 -5.691 319 HA GLN 43 HA GLN 43 12.933 6.640 -6.243 320 HB2 GLN 43 2HB GLN 43 12.565 5.414 -4.108 321 HB3 GLN 43 3HB GLN 43 13.108 3.929 -4.878 322 HG2 GLN 43 2HG GLN 43 14.851 4.989 -3.474 323 HG3 GLN 43 3HG GLN 43 15.371 4.869 -5.145 324 HE21 GLN 43 1HE2 GLN 43 15.607 6.824 -6.400 325 HE22 GLN 43 2HE2 GLN 43 15.630 8.396 -5.594 326 H ASN 44 H ASN 44 11.940 3.920 -8.046 327 HA ASN 44 HA ASN 44 12.609 2.994 -9.947 328 HB2 ASN 44 2HB ASN 44 13.071 5.471 -10.517 329 HB3 ASN 44 3HB ASN 44 14.778 5.059 -10.361 330 HD21 ASN 44 1HD2 ASN 44 15.242 2.812 -11.652 331 HD22 ASN 44 2HD2 ASN 44 14.593 2.837 -13.298 332 H LEU 45 H LEU 45 13.353 1.887 -7.673 333 HA LEU 45 HA LEU 45 16.170 0.918 -7.902 334 HB2 LEU 45 2HB LEU 45 13.997 0.393 -5.839 335 HB3 LEU 45 3HB LEU 45 15.628 -0.271 -5.770 336 HG LEU 45 HG LEU 45 14.938 2.691 -5.686 337 HD11 LEU 45 1HD1 LEU 45 15.645 2.551 -3.320 338 HD12 LEU 45 2HD1 LEU 45 15.856 0.794 -3.490 339 HD13 LEU 45 3HD1 LEU 45 14.243 1.525 -3.649 340 HD21 LEU 45 3HD2 LEU 45 17.310 2.984 -4.971 341 HD22 LEU 45 1HD2 LEU 45 17.173 2.404 -6.629 342 HD23 LEU 45 2HD2 LEU 45 17.609 1.269 -5.329 343 H LYS 46 H LYS 46 12.935 -0.107 -8.754 344 HA LYS 46 HA LYS 46 13.975 -2.334 -10.262 345 HB2 LYS 46 2HB LYS 46 13.621 -3.348 -7.974 346 HB3 LYS 46 3HB LYS 46 11.909 -2.909 -8.096 347 HG2 LYS 46 2HG LYS 46 11.659 -4.372 -10.074 348 HG3 LYS 46 3HG LYS 46 13.402 -4.679 -10.095 349 HD2 LYS 46 2HD LYS 46 12.231 -6.589 -9.150 350 HD3 LYS 46 3HD LYS 46 13.245 -5.828 -7.911 351 HE2 LYS 46 2HE LYS 46 11.251 -4.641 -7.015 352 HE3 LYS 46 3HE LYS 46 10.244 -5.371 -8.269 353 HZ1 LYS 46 3HZ LYS 46 10.692 -7.537 -7.301 354 HZ2 LYS 46 1HZ LYS 46 10.091 -6.523 -6.159 355 HZ3 LYS 46 2HZ LYS 46 11.689 -6.891 -6.165 356 H1 MET 1 1H MET 1 -15.759 -21.613 -2.376 357 H2 MET 1 2H MET 1 -15.139 -22.813 -3.291 358 H3 MET 1 3H MET 1 -16.065 -21.658 -3.988 359 HA MET 1 HA MET 1 -13.739 -21.327 -4.493 360 HB2 MET 1 2HB MET 1 -13.573 -18.987 -3.998 361 HB3 MET 1 3HB MET 1 -15.243 -19.359 -4.397 362 HG2 MET 1 2HG MET 1 -15.824 -19.317 -1.974 363 HG3 MET 1 3HG MET 1 -14.139 -18.961 -1.582 364 HE1 MET 1 3HE MET 1 -14.709 -16.879 -0.152 365 HE2 MET 1 1HE MET 1 -15.826 -15.597 -0.668 366 HE3 MET 1 2HE MET 1 -16.433 -17.245 -0.403 367 H ASN 2 H ASN 2 -11.624 -20.515 -3.681 368 HA ASN 2 HA ASN 2 -10.713 -21.960 -1.325 369 HB2 ASN 2 2HB ASN 2 -9.432 -21.449 -3.511 370 HB3 ASN 2 3HB ASN 2 -9.218 -19.813 -2.893 371 HD21 ASN 2 1HD2 ASN 2 -7.833 -19.553 -0.916 372 HD22 ASN 2 2HD2 ASN 2 -6.712 -20.855 -0.546 373 H CYS 3 H CYS 3 -9.770 -20.987 0.593 374 HA CYS 3 HA CYS 3 -11.114 -18.725 1.740 375 HB2 CYS 3 2HB CYS 3 -8.490 -20.090 2.503 376 HB3 CYS 3 3HB CYS 3 -9.396 -18.962 3.523 377 HG CYS 3 HG CYS 3 -11.623 -20.363 3.613 378 H MET 4 H MET 4 -10.264 -16.654 2.296 379 HA MET 4 HA MET 4 -8.748 -15.383 0.173 380 HB2 MET 4 2HB MET 4 -10.221 -14.469 2.632 381 HB3 MET 4 3HB MET 4 -8.978 -13.427 1.968 382 HG2 MET 4 2HG MET 4 -11.024 -12.782 0.948 383 HG3 MET 4 3HG MET 4 -10.045 -13.581 -0.280 384 HE1 MET 4 3HE MET 4 -13.653 -14.454 -1.459 385 HE2 MET 4 1HE MET 4 -13.089 -12.935 -0.727 386 HE3 MET 4 2HE MET 4 -12.068 -13.789 -1.906 387 H THR 5 H THR 5 -6.733 -16.030 0.050 388 HA THR 5 HA THR 5 -4.883 -15.660 2.373 389 HB THR 5 HB THR 5 -5.249 -18.019 1.698 390 HG1 THR 5 HG1 THR 5 -3.073 -18.462 1.757 391 HG21 THR 5 3HG2 THR 5 -3.745 -17.250 -0.862 392 HG22 THR 5 1HG2 THR 5 -5.454 -17.724 -0.785 393 HG23 THR 5 2HG2 THR 5 -4.196 -18.886 -0.340 394 H CYS 6 H CYS 6 -2.818 -14.867 2.011 395 HA CYS 6 HA CYS 6 -2.496 -12.859 0.047 396 HB2 CYS 6 2HB CYS 6 -1.369 -12.951 2.289 397 HB3 CYS 6 3HB CYS 6 -0.413 -14.296 1.713 398 HG CYS 6 HG CYS 6 1.140 -12.302 1.615 399 H GLN 7 H GLN 7 -2.042 -12.946 -2.091 400 HA GLN 7 HA GLN 7 -0.985 -15.395 -3.263 401 HB2 GLN 7 2HB GLN 7 -2.644 -14.027 -4.365 402 HB3 GLN 7 3HB GLN 7 -1.531 -12.655 -4.434 403 HG2 GLN 7 2HG GLN 7 -1.678 -13.728 -6.616 404 HG3 GLN 7 3HG GLN 7 -0.058 -13.907 -5.989 405 HE21 GLN 7 1HE2 GLN 7 0.608 -16.078 -5.229 406 HE22 GLN 7 2HE2 GLN 7 -0.276 -17.494 -5.809 407 H VAL 8 H VAL 8 0.570 -12.631 -1.880 408 HA VAL 8 HA VAL 8 3.115 -13.028 -3.351 409 HB VAL 8 HB VAL 8 2.250 -10.977 -1.290 410 HG11 VAL 8 1HG1 VAL 8 4.676 -11.157 -1.131 411 HG12 VAL 8 2HG1 VAL 8 4.829 -11.096 -2.905 412 HG13 VAL 8 3HG1 VAL 8 4.253 -9.681 -1.994 413 HG21 VAL 8 3HG2 VAL 8 1.108 -10.699 -3.453 414 HG22 VAL 8 1HG2 VAL 8 2.324 -9.434 -3.265 415 HG23 VAL 8 2HG2 VAL 8 2.658 -10.823 -4.313 416 H THR 9 H THR 9 1.741 -13.913 -0.301 417 HA THR 9 HA THR 9 4.383 -14.987 0.657 418 HB THR 9 HB THR 9 3.964 -14.331 2.901 419 HG1 THR 9 HG1 THR 9 2.092 -13.113 3.399 420 HG21 THR 9 3HG2 THR 9 3.992 -11.916 2.808 421 HG22 THR 9 1HG2 THR 9 3.226 -11.898 1.213 422 HG23 THR 9 2HG2 THR 9 4.882 -12.522 1.404 423 H GLY 10 H GLY 10 0.875 -15.310 0.750 424 HA2 GLY 10 2HA GLY 10 -0.242 -17.472 0.593 425 HA3 GLY 10 3HA GLY 10 1.170 -18.255 1.284 426 H GLU 11 H GLU 11 0.535 -15.447 3.091 427 HA GLU 11 HA GLU 11 -0.723 -16.958 5.256 428 HB2 GLU 11 2HB GLU 11 0.419 -14.192 4.907 429 HB3 GLU 11 3HB GLU 11 -0.520 -14.583 6.352 430 HG2 GLU 11 2HG GLU 11 1.928 -16.066 5.349 431 HG3 GLU 11 3HG GLU 11 1.915 -14.878 6.661 432 H VAL 12 H VAL 12 -2.543 -16.577 6.282 433 HA VAL 12 HA VAL 12 -4.750 -15.192 4.802 434 HB VAL 12 HB VAL 12 -5.120 -17.366 4.173 435 HG11 VAL 12 1HG1 VAL 12 -3.606 -18.634 5.595 436 HG12 VAL 12 2HG1 VAL 12 -4.639 -18.343 7.014 437 HG13 VAL 12 3HG1 VAL 12 -5.221 -19.338 5.664 438 HG21 VAL 12 3HG2 VAL 12 -6.862 -17.212 6.660 439 HG22 VAL 12 1HG2 VAL 12 -7.154 -16.250 5.202 440 HG23 VAL 12 2HG2 VAL 12 -7.211 -18.018 5.120 441 H SER 13 H SER 13 -5.725 -13.693 5.912 442 HA SER 13 HA SER 13 -6.312 -14.165 8.822 443 HB2 SER 13 2HB SER 13 -5.857 -11.489 7.482 444 HB3 SER 13 3HB SER 13 -6.143 -11.778 9.204 445 HG SER 13 HG SER 13 -4.148 -12.952 9.245 446 H ASP 14 H ASP 14 -8.335 -13.297 9.615 447 HA ASP 14 HA ASP 14 -10.525 -13.316 7.706 448 HB2 ASP 14 2HB ASP 14 -10.607 -12.394 10.589 449 HB3 ASP 14 3HB ASP 14 -11.958 -12.928 9.595 450 H ASP 15 H ASP 15 -8.623 -10.791 9.212 451 HA ASP 15 HA ASP 15 -10.260 -8.594 8.181 452 HB2 ASP 15 2HB ASP 15 -7.715 -8.486 9.820 453 HB3 ASP 15 3HB ASP 15 -8.906 -7.219 9.592 454 H ASN 16 H ASN 16 -8.860 -10.313 6.256 455 HA ASN 16 HA ASN 16 -6.259 -9.610 5.681 456 HB2 ASN 16 2HB ASN 16 -6.646 -10.730 3.476 457 HB3 ASN 16 3HB ASN 16 -7.094 -11.652 4.881 458 HD21 ASN 16 1HD2 ASN 16 -9.159 -12.455 5.014 459 HD22 ASN 16 2HD2 ASN 16 -10.467 -11.979 3.925 460 H LEU 17 H LEU 17 -5.120 -8.526 4.265 461 HA LEU 17 HA LEU 17 -6.085 -5.905 3.516 462 HB2 LEU 17 2HB LEU 17 -3.289 -7.150 3.401 463 HB3 LEU 17 3HB LEU 17 -3.674 -5.439 3.279 464 HG LEU 17 HG LEU 17 -4.096 -7.206 5.724 465 HD11 LEU 17 1HD1 LEU 17 -1.799 -6.779 5.323 466 HD12 LEU 17 2HD1 LEU 17 -2.283 -5.760 6.680 467 HD13 LEU 17 3HD1 LEU 17 -2.068 -5.097 5.057 468 HD21 LEU 17 3HD2 LEU 17 -4.993 -4.419 5.055 469 HD22 LEU 17 1HD2 LEU 17 -4.378 -4.723 6.674 470 HD23 LEU 17 2HD2 LEU 17 -5.758 -5.649 6.069 471 H LYS 18 H LYS 18 -5.541 -4.891 1.469 472 HA LYS 18 HA LYS 18 -5.672 -6.792 -0.820 473 HB2 LYS 18 2HB LYS 18 -7.704 -4.583 -0.342 474 HB3 LYS 18 3HB LYS 18 -7.646 -5.727 -1.701 475 HG2 LYS 18 2HG LYS 18 -7.936 -7.619 -0.143 476 HG3 LYS 18 3HG LYS 18 -8.074 -6.480 1.212 477 HD2 LYS 18 2HD LYS 18 -10.124 -5.530 0.268 478 HD3 LYS 18 3HD LYS 18 -9.982 -6.609 -1.133 479 HE2 LYS 18 2HE LYS 18 -11.530 -7.640 0.384 480 HE3 LYS 18 3HE LYS 18 -10.031 -8.580 0.400 481 HZ1 LYS 18 3HZ LYS 18 -10.885 -8.248 2.631 482 HZ2 LYS 18 1HZ LYS 18 -10.820 -6.619 2.489 483 HZ3 LYS 18 2HZ LYS 18 -9.445 -7.521 2.515 484 H LEU 19 H LEU 19 -5.105 -6.113 -2.807 485 HA LEU 19 HA LEU 19 -2.865 -4.418 -2.779 486 HB2 LEU 19 2HB LEU 19 -3.285 -6.564 -4.026 487 HB3 LEU 19 3HB LEU 19 -4.221 -5.678 -5.195 488 HG LEU 19 HG LEU 19 -1.425 -4.654 -4.726 489 HD11 LEU 19 1HD1 LEU 19 -0.438 -6.408 -6.158 490 HD12 LEU 19 2HD1 LEU 19 -1.965 -7.322 -6.086 491 HD13 LEU 19 3HD1 LEU 19 -1.009 -7.047 -4.612 492 HD21 LEU 19 3HD2 LEU 19 -1.431 -4.386 -7.127 493 HD22 LEU 19 1HD2 LEU 19 -2.999 -3.798 -6.556 494 HD23 LEU 19 2HD2 LEU 19 -2.876 -5.398 -7.304 495 H ALA 20 H ALA 20 -2.315 -2.822 -4.598 496 HA ALA 20 HA ALA 20 -3.874 -0.526 -3.752 497 HB1 ALA 20 3HB ALA 20 -1.434 -0.462 -3.712 498 HB2 ALA 20 1HB ALA 20 -1.376 -0.708 -5.475 499 HB3 ALA 20 2HB ALA 20 -2.072 0.783 -4.803 500 H GLY 21 H GLY 21 -5.330 0.703 -4.935 501 HA2 GLY 21 2HA GLY 21 -6.143 -0.286 -7.606 502 HA3 GLY 21 3HA GLY 21 -7.069 0.718 -6.501 503 H GLY 22 H GLY 22 -5.600 2.799 -5.924 504 HA2 GLY 22 2HA GLY 22 -4.035 4.390 -6.741 505 HA3 GLY 22 3HA GLY 22 -4.541 4.106 -8.403 506 H LYS 23 H LYS 23 -6.128 4.983 -5.276 507 HA LYS 23 HA LYS 23 -8.244 6.390 -6.742 508 HB2 LYS 23 2HB LYS 23 -7.920 6.101 -3.735 509 HB3 LYS 23 3HB LYS 23 -9.360 6.623 -4.615 510 HG2 LYS 23 2HG LYS 23 -9.234 4.320 -5.819 511 HG3 LYS 23 3HG LYS 23 -8.121 3.854 -4.528 512 HD2 LYS 23 2HD LYS 23 -11.024 4.738 -4.260 513 HD3 LYS 23 3HD LYS 23 -10.363 3.122 -3.978 514 HE2 LYS 23 2HE LYS 23 -9.021 4.046 -2.066 515 HE3 LYS 23 3HE LYS 23 -9.777 5.622 -2.325 516 HZ1 LYS 23 3HZ LYS 23 -11.938 4.581 -1.865 517 HZ2 LYS 23 1HZ LYS 23 -10.930 4.370 -0.599 518 HZ3 LYS 23 2HZ LYS 23 -11.229 3.130 -1.613 519 H LEU 24 H LEU 24 -5.535 7.474 -4.810 520 HA LEU 24 HA LEU 24 -5.869 10.236 -5.697 521 HB2 LEU 24 2HB LEU 24 -7.246 9.930 -3.532 522 HB3 LEU 24 3HB LEU 24 -5.715 9.618 -2.711 523 HG LEU 24 HG LEU 24 -4.944 11.908 -3.236 524 HD11 LEU 24 1HD1 LEU 24 -6.594 13.571 -4.127 525 HD12 LEU 24 2HD1 LEU 24 -7.689 12.234 -4.531 526 HD13 LEU 24 3HD1 LEU 24 -6.117 12.391 -5.346 527 HD21 LEU 24 3HD2 LEU 24 -6.565 13.085 -1.775 528 HD22 LEU 24 1HD2 LEU 24 -6.190 11.465 -1.166 529 HD23 LEU 24 2HD2 LEU 24 -7.727 11.766 -2.006 530 H VAL 25 H VAL 25 -3.863 11.520 -5.175 531 HA VAL 25 HA VAL 25 -1.542 9.741 -5.471 532 HB VAL 25 HB VAL 25 -1.854 12.739 -5.911 533 HG11 VAL 25 1HG1 VAL 25 0.492 12.587 -6.828 534 HG12 VAL 25 2HG1 VAL 25 0.410 12.482 -5.082 535 HG13 VAL 25 3HG1 VAL 25 0.650 11.011 -6.035 536 HG21 VAL 25 3HG2 VAL 25 -2.776 11.172 -7.634 537 HG22 VAL 25 1HG2 VAL 25 -1.390 12.096 -8.228 538 HG23 VAL 25 2HG2 VAL 25 -1.175 10.402 -7.754 539 H LEU 26 H LEU 26 0.013 9.444 -4.311 540 HA LEU 26 HA LEU 26 0.680 10.969 -1.852 541 HB2 LEU 26 2HB LEU 26 0.329 7.968 -2.020 542 HB3 LEU 26 3HB LEU 26 1.276 8.782 -0.783 543 HG LEU 26 HG LEU 26 -0.871 10.259 -0.424 544 HD11 LEU 26 1HD1 LEU 26 -2.982 8.977 -0.702 545 HD12 LEU 26 2HD1 LEU 26 -2.081 7.646 -1.487 546 HD13 LEU 26 3HD1 LEU 26 -2.270 9.202 -2.273 547 HD21 LEU 26 3HD2 LEU 26 -0.209 9.054 1.405 548 HD22 LEU 26 1HD2 LEU 26 -0.421 7.487 0.584 549 HD23 LEU 26 2HD2 LEU 26 -1.816 8.433 1.139 550 H SER 27 H SER 27 2.997 10.797 -1.164 551 HA SER 27 HA SER 27 4.817 10.037 -3.403 552 HB2 SER 27 2HB SER 27 4.891 12.377 -2.520 553 HB3 SER 27 3HB SER 27 5.351 11.722 -0.944 554 HG SER 27 HG SER 27 7.162 12.325 -2.332 555 H LYS 28 H LYS 28 7.024 9.468 -2.041 556 HA LYS 28 HA LYS 28 6.925 6.759 -1.263 557 HB2 LYS 28 2HB LYS 28 8.932 8.078 -1.867 558 HB3 LYS 28 3HB LYS 28 8.796 9.012 -0.380 559 HG2 LYS 28 2HG LYS 28 9.146 6.902 0.924 560 HG3 LYS 28 3HG LYS 28 9.430 6.038 -0.600 561 HD2 LYS 28 2HD LYS 28 11.043 8.388 0.496 562 HD3 LYS 28 3HD LYS 28 11.499 6.687 0.614 563 HE2 LYS 28 2HE LYS 28 11.616 6.531 -1.861 564 HE3 LYS 28 3HE LYS 28 11.172 8.241 -1.992 565 HZ1 LYS 28 3HZ LYS 28 13.605 7.244 -0.609 566 HZ2 LYS 28 1HZ LYS 28 13.201 8.815 -0.800 567 HZ3 LYS 28 2HZ LYS 28 13.598 7.905 -2.100 568 H GLU 29 H GLU 29 6.734 9.622 0.769 569 HA GLU 29 HA GLU 29 6.663 8.158 3.256 570 HB2 GLU 29 2HB GLU 29 5.934 11.042 2.692 571 HB3 GLU 29 3HB GLU 29 6.233 10.365 4.286 572 HG2 GLU 29 2HG GLU 29 8.281 10.670 2.042 573 HG3 GLU 29 3HG GLU 29 8.127 11.702 3.452 574 H GLY 30 H GLY 30 4.145 9.740 1.182 575 HA2 GLY 30 2HA GLY 30 1.945 9.252 2.947 576 HA3 GLY 30 3HA GLY 30 1.919 9.537 1.201 577 H ALA 31 H ALA 31 3.373 7.286 0.237 578 HA ALA 31 HA ALA 31 1.358 5.280 0.328 579 HB1 ALA 31 3HB ALA 31 2.912 3.954 -1.050 580 HB2 ALA 31 1HB ALA 31 2.914 5.634 -1.592 581 HB3 ALA 31 2HB ALA 31 4.257 5.009 -0.605 582 H GLU 32 H GLU 32 4.574 5.546 1.972 583 HA GLU 32 HA GLU 32 4.157 3.034 3.328 584 HB2 GLU 32 2HB GLU 32 5.926 3.417 4.753 585 HB3 GLU 32 3HB GLU 32 6.321 3.949 3.121 586 HG2 GLU 32 2HG GLU 32 6.150 6.242 3.743 587 HG3 GLU 32 3HG GLU 32 5.430 5.860 5.316 588 H GLN 33 H GLN 33 2.960 6.326 4.053 589 HA GLN 33 HA GLN 33 2.173 5.728 6.775 590 HB2 GLN 33 2HB GLN 33 2.507 8.023 6.081 591 HB3 GLN 33 3HB GLN 33 1.293 7.871 4.818 592 HG2 GLN 33 2HG GLN 33 0.406 9.141 6.662 593 HG3 GLN 33 3HG GLN 33 -0.493 7.644 6.491 594 HE21 GLN 33 1HE2 GLN 33 -0.206 5.972 8.164 595 HE22 GLN 33 2HE2 GLN 33 0.426 6.461 9.740 596 H ILE 34 H ILE 34 0.662 5.347 3.556 597 HA ILE 34 HA ILE 34 -1.846 4.279 4.553 598 HB ILE 34 HB ILE 34 -0.473 3.584 1.946 599 HG12 ILE 34 2HG1 ILE 34 -2.768 5.506 2.533 600 HG13 ILE 34 3HG1 ILE 34 -1.097 6.030 2.351 601 HG21 ILE 34 1HG2 ILE 34 -2.039 1.859 2.643 602 HG22 ILE 34 2HG2 ILE 34 -3.240 3.044 3.139 603 HG23 ILE 34 3HG2 ILE 34 -2.862 2.790 1.413 604 HD11 ILE 34 3HD1 ILE 34 -2.625 4.500 0.189 605 HD12 ILE 34 1HD1 ILE 34 -2.441 6.244 0.246 606 HD13 ILE 34 2HD1 ILE 34 -1.008 5.208 0.048 607 H ILE 35 H ILE 35 1.340 2.641 3.815 608 HA ILE 35 HA ILE 35 0.400 0.111 4.596 609 HB ILE 35 HB ILE 35 2.990 1.189 4.113 610 HG12 ILE 35 2HG1 ILE 35 1.925 -0.689 2.940 611 HG13 ILE 35 3HG1 ILE 35 3.480 -1.186 3.639 612 HG21 ILE 35 1HG2 ILE 35 4.473 -0.151 5.509 613 HG22 ILE 35 2HG2 ILE 35 3.634 1.074 6.451 614 HG23 ILE 35 3HG2 ILE 35 3.120 -0.625 6.548 615 HD11 ILE 35 3HD1 ILE 35 1.586 -2.845 3.769 616 HD12 ILE 35 1HD1 ILE 35 2.520 -2.552 5.238 617 HD13 ILE 35 2HD1 ILE 35 0.881 -1.870 5.029 618 H SER 36 H SER 36 1.527 2.683 6.701 619 HA SER 36 HA SER 36 1.332 1.163 9.149 620 HB2 SER 36 2HB SER 36 1.209 4.113 8.517 621 HB3 SER 36 3HB SER 36 1.021 3.494 10.178 622 HG SER 36 HG SER 36 3.210 4.008 9.677 623 H GLU 37 H GLU 37 -1.121 3.126 7.341 624 HA GLU 37 HA GLU 37 -3.259 2.545 9.227 625 HB2 GLU 37 2HB GLU 37 -3.330 3.323 6.288 626 HB3 GLU 37 3HB GLU 37 -4.752 3.178 7.311 627 HG2 GLU 37 2HG GLU 37 -2.445 5.105 7.836 628 HG3 GLU 37 3HG GLU 37 -3.940 5.518 7.014 629 H ILE 38 H ILE 38 -2.273 0.885 6.174 630 HA ILE 38 HA ILE 38 -4.359 -1.024 6.170 631 HB ILE 38 HB ILE 38 -1.617 -0.792 4.901 632 HG12 ILE 38 2HG1 ILE 38 -4.517 -0.816 3.883 633 HG13 ILE 38 3HG1 ILE 38 -3.504 0.607 4.057 634 HG21 ILE 38 1HG2 ILE 38 -3.398 -3.156 4.568 635 HG22 ILE 38 2HG2 ILE 38 -2.046 -2.739 3.514 636 HG23 ILE 38 3HG2 ILE 38 -1.718 -3.071 5.202 637 HD11 ILE 38 3HD1 ILE 38 -3.555 0.090 1.734 638 HD12 ILE 38 1HD1 ILE 38 -1.950 -0.443 2.291 639 HD13 ILE 38 2HD1 ILE 38 -3.251 -1.626 2.005 640 H GLN 39 H GLN 39 -0.998 -1.420 7.352 641 HA GLN 39 HA GLN 39 -1.476 -4.027 8.458 642 HB2 GLN 39 2HB GLN 39 0.668 -1.941 9.013 643 HB3 GLN 39 3HB GLN 39 0.510 -3.483 9.852 644 HG2 GLN 39 2HG GLN 39 0.506 -4.503 7.381 645 HG3 GLN 39 3HG GLN 39 1.280 -2.995 6.956 646 HE21 GLN 39 1HE2 GLN 39 2.550 -5.485 6.620 647 HE22 GLN 39 2HE2 GLN 39 3.950 -5.487 7.662 648 H ASN 40 H ASN 40 -1.925 -0.757 9.820 649 HA ASN 40 HA ASN 40 -2.693 -1.607 12.477 650 HB2 ASN 40 2HB ASN 40 -2.501 0.690 12.355 651 HB3 ASN 40 3HB ASN 40 -3.267 0.793 10.783 652 HD21 ASN 40 1HD2 ASN 40 -4.165 0.006 14.201 653 HD22 ASN 40 2HD2 ASN 40 -5.723 0.801 14.042 654 H GLN 41 H GLN 41 -4.731 -1.457 9.445 655 HA GLN 41 HA GLN 41 -7.089 -2.308 10.865 656 HB2 GLN 41 2HB GLN 41 -6.362 -2.425 7.918 657 HB3 GLN 41 3HB GLN 41 -7.967 -2.746 8.567 658 HG2 GLN 41 2HG GLN 41 -6.493 -0.106 8.986 659 HG3 GLN 41 3HG GLN 41 -7.580 -0.408 7.669 660 HE21 GLN 41 1HE2 GLN 41 -7.286 0.538 11.000 661 HE22 GLN 41 2HE2 GLN 41 -9.015 0.589 11.340 662 H LEU 42 H LEU 42 -4.553 -4.196 9.116 663 HA LEU 42 HA LEU 42 -5.804 -6.732 9.629 664 HB2 LEU 42 2HB LEU 42 -3.857 -6.149 8.123 665 HB3 LEU 42 3HB LEU 42 -2.788 -6.268 9.474 666 HG LEU 42 HG LEU 42 -2.802 -8.203 7.965 667 HD11 LEU 42 1HD1 LEU 42 -2.265 -8.521 10.407 668 HD12 LEU 42 2HD1 LEU 42 -2.779 -9.977 9.530 669 HD13 LEU 42 3HD1 LEU 42 -3.908 -9.165 10.613 670 HD21 LEU 42 3HD2 LEU 42 -5.267 -8.080 7.408 671 HD22 LEU 42 1HD2 LEU 42 -5.566 -8.959 8.920 672 HD23 LEU 42 2HD2 LEU 42 -4.564 -9.689 7.641 673 H GLN 43 H GLN 43 -3.714 -4.730 11.691 674 HA GLN 43 HA GLN 43 -3.423 -6.773 13.755 675 HB2 GLN 43 2HB GLN 43 -2.717 -3.826 13.581 676 HB3 GLN 43 3HB GLN 43 -2.493 -4.757 15.062 677 HG2 GLN 43 2HG GLN 43 -1.000 -6.323 13.958 678 HG3 GLN 43 3HG GLN 43 -1.268 -5.553 12.394 679 HE21 GLN 43 1HE2 GLN 43 -0.097 -4.737 15.746 680 HE22 GLN 43 2HE2 GLN 43 1.109 -3.600 15.160 681 H ASN 44 H ASN 44 -5.554 -3.927 13.458 682 HA ASN 44 HA ASN 44 -6.480 -4.375 16.256 683 HB2 ASN 44 2HB ASN 44 -6.283 -1.811 14.635 684 HB3 ASN 44 3HB ASN 44 -6.721 -1.941 16.337 685 HD21 ASN 44 1HD2 ASN 44 -4.881 -3.470 17.564 686 HD22 ASN 44 2HD2 ASN 44 -3.276 -2.813 17.287 687 H LEU 45 H LEU 45 -7.851 -4.784 13.202 688 HA LEU 45 HA LEU 45 -10.572 -3.988 13.986 689 HB2 LEU 45 2HB LEU 45 -9.489 -5.728 11.748 690 HB3 LEU 45 3HB LEU 45 -11.207 -5.490 12.027 691 HG LEU 45 HG LEU 45 -9.255 -3.233 11.394 692 HD11 LEU 45 1HD1 LEU 45 -11.348 -4.629 9.666 693 HD12 LEU 45 2HD1 LEU 45 -9.586 -4.776 9.490 694 HD13 LEU 45 3HD1 LEU 45 -10.375 -3.219 9.192 695 HD21 LEU 45 3HD2 LEU 45 -12.297 -3.281 11.625 696 HD22 LEU 45 1HD2 LEU 45 -11.344 -1.936 10.964 697 HD23 LEU 45 2HD2 LEU 45 -11.164 -2.377 12.660 698 H LYS 46 H LYS 46 -12.263 -5.372 14.496 699 HA LYS 46 HA LYS 46 -11.654 -8.022 15.713 700 HB2 LYS 46 2HB LYS 46 -13.039 -5.670 17.075 701 HB3 LYS 46 3HB LYS 46 -13.060 -7.309 17.692 702 HG2 LYS 46 2HG LYS 46 -10.579 -5.565 17.350 703 HG3 LYS 46 3HG LYS 46 -11.426 -5.872 18.856 704 HD2 LYS 46 2HD LYS 46 -9.944 -7.966 17.206 705 HD3 LYS 46 3HD LYS 46 -9.376 -7.197 18.687 706 HE2 LYS 46 2HE LYS 46 -11.319 -8.152 19.925 707 HE3 LYS 46 3HE LYS 46 -11.854 -8.959 18.444 708 HZ1 LYS 46 3HZ LYS 46 -9.755 -10.199 18.441 709 HZ2 LYS 46 1HZ LYS 46 -10.554 -10.455 19.840 710 HZ3 LYS 46 2HZ LYS 46 -9.264 -9.458 19.813
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